USER MOD reduce.3.24.130724 H: found=0, std=0, add=1732, rem=0, adj=63 USER MOD reduce.3.24.130724 removed 1738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 85 GLN : amide:sc= 0.0872 X(o=-2.3,f=-2.7) USER MOD Set 1.2: B 114 MET CE :methyl -118:sc= -2.41 (180deg=-2.87!) USER MOD Set 2.1: B 28 LYS NZ :NH3+ -125:sc= 1.79 (180deg=-0.000171) USER MOD Set 2.2: B 29 ASN : amide:sc= 0.658 K(o=2.4,f=-6.4) USER MOD Set 3.1: A 85 GLN : amide:sc= -0.015 X(o=-2.7,f=-3.1) USER MOD Set 3.2: A 114 MET CE :methyl 132:sc= -2.64 (180deg=-3.16!) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -123:sc= 1.79 (180deg=-0.0419) USER MOD Set 4.2: A 29 ASN : amide:sc= 0.658 K(o=2.5,f=-6.3) USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= -0.0114 (180deg=-0.126) USER MOD Single : A 8 SER OG : rot 63:sc= 0.00784 USER MOD Single : A 9 SER OG : rot 112:sc= 0.0211 USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= 1.11 (180deg=0.349) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.0252 (180deg=-0.235) USER MOD Single : A 22 CYS SG : rot 57:sc= 1.24 USER MOD Single : A 23 MET CE :methyl -109:sc= -0.445 (180deg=-2.85!) USER MOD Single : A 24 SER OG : rot 19:sc= -0.651 USER MOD Single : A 26 THR OG1 : rot 177:sc= 0.365 USER MOD Single : A 30 MET CE :methyl -172:sc= -1.41 (180deg=-1.73) USER MOD Single : A 37 SER OG : rot -77:sc= 0.365 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.27) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0019 USER MOD Single : A 48 SER OG : rot 180:sc=0.000286 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -127:sc= -0.0256 (180deg=-0.67) USER MOD Single : A 57 TYR OH : rot 165:sc= -0.729 USER MOD Single : A 58 CYS SG : rot 79:sc= 0.00497 USER MOD Single : A 60 HIS : no HE2:sc= 0.15 K(o=0.15,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 62 HIS : no HD1:sc= -0.174 K(o=-0.068,f=-2.7!) USER MOD Single : A 63 GLN : amide:sc=-0.00777 K(o=-0.0078,f=-1.4) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.215 USER MOD Single : A 81 CYS SG : rot 69:sc= 1.07 USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0.534 (180deg=0.523) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 96 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.58) USER MOD Single : A 97 TYR OH : rot -171:sc= -0.806 USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= 0.457 (180deg=0.311) USER MOD Single : A 107 THR OG1 : rot 82:sc= 0.963 USER MOD Single : A 108 CYS SG : rot 78:sc= -1.46! USER MOD Single : A 109 LYS NZ :NH3+ -143:sc= 0.54 (180deg=-0.414) USER MOD Single : A 110 THR OG1 : rot 60:sc= 0.992 USER MOD Single : A 113 ASN : amide:sc= -0.0409 K(o=-0.041,f=-0.83) USER MOD Single : B 2 SER OG : rot -30:sc= 0.0791 USER MOD Single : B 5 LYS NZ :NH3+ 176:sc=-0.000215 (180deg=-0.0353) USER MOD Single : B 8 SER OG : rot 61:sc= 0.0289 USER MOD Single : B 9 SER OG : rot 114:sc= 0.00887 USER MOD Single : B 12 LYS NZ :NH3+ 140:sc= 1.15 (180deg=0.256) USER MOD Single : B 18 LYS NZ :NH3+ -167:sc= -0.0142 (180deg=-0.183) USER MOD Single : B 22 CYS SG : rot 51:sc= 1.18 USER MOD Single : B 23 MET CE :methyl -105:sc= -0.433 (180deg=-2.82!) USER MOD Single : B 24 SER OG : rot 21:sc= -0.608 USER MOD Single : B 26 THR OG1 : rot 174:sc= 0.4 USER MOD Single : B 30 MET CE :methyl -173:sc= -1.56 (180deg=-1.88) USER MOD Single : B 37 SER OG : rot -75:sc= 0.378 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 45 ASN : amide:sc= -0.086 X(o=-0.086,f=-0.33) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 140:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ -129:sc= -0.0232 (180deg=-0.607) USER MOD Single : B 57 TYR OH : rot 165:sc= -0.73 USER MOD Single : B 58 CYS SG : rot 77:sc= -0.0419 USER MOD Single : B 60 HIS : no HE2:sc= 0.125 K(o=0.13,f=-0.95) USER MOD Single : B 61 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 62 HIS : no HD1:sc= -0.178 K(o=-0.077,f=-2.5!) USER MOD Single : B 63 GLN : amide:sc=-0.000779 K(o=-0.00078,f=-1.5) USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 76 TYR OH : rot 30:sc= -0.299 USER MOD Single : B 81 CYS SG : rot 68:sc= 1.07 USER MOD Single : B 82 LYS NZ :NH3+ -171:sc= 0.448 (180deg=0.398) USER MOD Single : B 87 THR OG1 : rot 180:sc= -0.138 USER MOD Single : B 96 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.94) USER MOD Single : B 97 TYR OH : rot 180:sc= -0.835 USER MOD Single : B 101 LYS NZ :NH3+ 167:sc= 0.427 (180deg=0.187) USER MOD Single : B 107 THR OG1 : rot 83:sc= 0.995 USER MOD Single : B 108 CYS SG : rot 72:sc= -1.35! USER MOD Single : B 109 LYS NZ :NH3+ -144:sc= 0.62 (180deg=-0.368) USER MOD Single : B 110 THR OG1 : rot 60:sc= 1.01 USER MOD Single : B 113 ASN : amide:sc= -0.0594 K(o=-0.059,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 14 N LEU A 3 -18.604 -11.502 -16.092 1.00 15.45 N ATOM 15 CA LEU A 3 -18.384 -10.242 -15.361 1.00 1.42 C ATOM 16 C LEU A 3 -18.751 -10.450 -13.881 1.00 73.24 C ATOM 17 O LEU A 3 -19.710 -11.171 -13.571 1.00 41.41 O ATOM 18 CB LEU A 3 -19.249 -9.103 -15.970 1.00 32.23 C ATOM 19 CG LEU A 3 -19.022 -8.786 -17.478 1.00 1.33 C ATOM 20 CD1 LEU A 3 -20.029 -7.730 -17.982 1.00 1.44 C ATOM 21 CD2 LEU A 3 -17.567 -8.349 -17.749 1.00 71.34 C ATOM 0 HA LEU A 3 -17.335 -9.956 -15.443 1.00 1.42 H new ATOM 0 HB2 LEU A 3 -20.299 -9.360 -15.830 1.00 32.23 H new ATOM 0 HB3 LEU A 3 -19.065 -8.193 -15.399 1.00 32.23 H new ATOM 0 HG LEU A 3 -19.196 -9.704 -18.039 1.00 1.33 H new ATOM 0 HD11 LEU A 3 -19.847 -7.528 -19.038 1.00 1.44 H new ATOM 0 HD12 LEU A 3 -21.044 -8.105 -17.854 1.00 1.44 H new ATOM 0 HD13 LEU A 3 -19.908 -6.810 -17.411 1.00 1.44 H new ATOM 0 HD21 LEU A 3 -17.443 -8.135 -18.811 1.00 71.34 H new ATOM 0 HD22 LEU A 3 -17.342 -7.453 -17.170 1.00 71.34 H new ATOM 0 HD23 LEU A 3 -16.887 -9.149 -17.458 1.00 71.34 H new ATOM 33 N VAL A 4 -17.971 -9.845 -12.979 1.00 63.30 N ATOM 34 CA VAL A 4 -18.263 -9.803 -11.532 1.00 3.24 C ATOM 35 C VAL A 4 -18.693 -8.378 -11.151 1.00 52.43 C ATOM 36 O VAL A 4 -18.115 -7.392 -11.624 1.00 61.31 O ATOM 37 CB VAL A 4 -17.035 -10.265 -10.653 1.00 64.52 C ATOM 38 CG1 VAL A 4 -16.821 -11.792 -10.765 1.00 22.14 C ATOM 39 CG2 VAL A 4 -15.747 -9.497 -11.035 1.00 50.12 C ATOM 0 H VAL A 4 -17.108 -9.363 -13.231 1.00 63.30 H new ATOM 0 HA VAL A 4 -19.070 -10.507 -11.329 1.00 3.24 H new ATOM 0 HB VAL A 4 -17.264 -10.029 -9.614 1.00 64.52 H new ATOM 0 HG11 VAL A 4 -15.970 -12.086 -10.151 1.00 22.14 H new ATOM 0 HG12 VAL A 4 -17.715 -12.311 -10.419 1.00 22.14 H new ATOM 0 HG13 VAL A 4 -16.627 -12.057 -11.804 1.00 22.14 H new ATOM 0 HG21 VAL A 4 -14.921 -9.839 -10.411 1.00 50.12 H new ATOM 0 HG22 VAL A 4 -15.511 -9.681 -12.083 1.00 50.12 H new ATOM 0 HG23 VAL A 4 -15.901 -8.429 -10.880 1.00 50.12 H new ATOM 49 N LYS A 5 -19.723 -8.292 -10.304 1.00 62.41 N ATOM 50 CA LYS A 5 -20.346 -7.025 -9.893 1.00 64.51 C ATOM 51 C LYS A 5 -19.713 -6.525 -8.580 1.00 72.24 C ATOM 52 O LYS A 5 -19.759 -7.223 -7.562 1.00 12.42 O ATOM 53 CB LYS A 5 -21.867 -7.245 -9.703 1.00 15.11 C ATOM 54 CG LYS A 5 -22.614 -7.756 -10.952 1.00 52.20 C ATOM 55 CD LYS A 5 -24.107 -8.039 -10.674 1.00 4.33 C ATOM 56 CE LYS A 5 -24.873 -8.456 -11.937 1.00 3.13 C ATOM 57 NZ LYS A 5 -24.267 -9.652 -12.573 1.00 2.21 N ATOM 0 H LYS A 5 -20.156 -9.111 -9.877 1.00 62.41 H new ATOM 0 HA LYS A 5 -20.182 -6.272 -10.664 1.00 64.51 H new ATOM 0 HB2 LYS A 5 -22.017 -7.958 -8.892 1.00 15.11 H new ATOM 0 HB3 LYS A 5 -22.318 -6.304 -9.388 1.00 15.11 H new ATOM 0 HG2 LYS A 5 -22.530 -7.017 -11.749 1.00 52.20 H new ATOM 0 HG3 LYS A 5 -22.135 -8.667 -11.310 1.00 52.20 H new ATOM 0 HD2 LYS A 5 -24.191 -8.827 -9.926 1.00 4.33 H new ATOM 0 HD3 LYS A 5 -24.569 -7.147 -10.251 1.00 4.33 H new ATOM 0 HE2 LYS A 5 -25.911 -8.666 -11.681 1.00 3.13 H new ATOM 0 HE3 LYS A 5 -24.881 -7.630 -12.648 1.00 3.13 H new ATOM 0 HZ1 LYS A 5 -24.883 -9.987 -13.341 1.00 2.21 H new ATOM 0 HZ2 LYS A 5 -23.334 -9.404 -12.961 1.00 2.21 H new ATOM 0 HZ3 LYS A 5 -24.158 -10.405 -11.864 1.00 2.21 H new ATOM 71 N LEU A 6 -19.087 -5.338 -8.627 1.00 23.34 N ATOM 72 CA LEU A 6 -18.531 -4.661 -7.438 1.00 31.43 C ATOM 73 C LEU A 6 -19.253 -3.325 -7.257 1.00 44.15 C ATOM 74 O LEU A 6 -18.997 -2.379 -8.014 1.00 62.23 O ATOM 75 CB LEU A 6 -16.988 -4.406 -7.557 1.00 4.55 C ATOM 76 CG LEU A 6 -16.038 -5.648 -7.696 1.00 72.54 C ATOM 77 CD1 LEU A 6 -16.330 -6.716 -6.619 1.00 63.41 C ATOM 78 CD2 LEU A 6 -16.065 -6.241 -9.121 1.00 2.33 C ATOM 0 H LEU A 6 -18.950 -4.817 -9.493 1.00 23.34 H new ATOM 0 HA LEU A 6 -18.684 -5.313 -6.578 1.00 31.43 H new ATOM 0 HB2 LEU A 6 -16.823 -3.763 -8.421 1.00 4.55 H new ATOM 0 HB3 LEU A 6 -16.675 -3.844 -6.677 1.00 4.55 H new ATOM 0 HG LEU A 6 -15.022 -5.292 -7.524 1.00 72.54 H new ATOM 0 HD11 LEU A 6 -15.652 -7.559 -6.749 1.00 63.41 H new ATOM 0 HD12 LEU A 6 -16.185 -6.283 -5.629 1.00 63.41 H new ATOM 0 HD13 LEU A 6 -17.360 -7.060 -6.717 1.00 63.41 H new ATOM 0 HD21 LEU A 6 -15.393 -7.098 -9.171 1.00 2.33 H new ATOM 0 HD22 LEU A 6 -17.079 -6.560 -9.363 1.00 2.33 H new ATOM 0 HD23 LEU A 6 -15.742 -5.484 -9.836 1.00 2.33 H new ATOM 90 N GLU A 7 -20.185 -3.249 -6.294 1.00 4.25 N ATOM 91 CA GLU A 7 -20.844 -1.981 -5.954 1.00 32.01 C ATOM 92 C GLU A 7 -19.841 -1.070 -5.253 1.00 43.14 C ATOM 93 O GLU A 7 -18.986 -1.531 -4.501 1.00 63.43 O ATOM 94 CB GLU A 7 -22.091 -2.174 -5.039 1.00 73.42 C ATOM 95 CG GLU A 7 -23.279 -2.912 -5.690 1.00 24.15 C ATOM 96 CD GLU A 7 -23.004 -4.403 -5.931 1.00 74.23 C ATOM 97 OE1 GLU A 7 -23.097 -5.184 -4.965 1.00 31.21 O ATOM 98 OE2 GLU A 7 -22.672 -4.791 -7.078 1.00 63.31 O ATOM 0 H GLU A 7 -20.497 -4.047 -5.740 1.00 4.25 H new ATOM 0 HA GLU A 7 -21.194 -1.536 -6.885 1.00 32.01 H new ATOM 0 HB2 GLU A 7 -21.786 -2.725 -4.149 1.00 73.42 H new ATOM 0 HB3 GLU A 7 -22.432 -1.194 -4.706 1.00 73.42 H new ATOM 0 HG2 GLU A 7 -24.156 -2.809 -5.052 1.00 24.15 H new ATOM 0 HG3 GLU A 7 -23.519 -2.435 -6.640 1.00 24.15 H new ATOM 105 N SER A 8 -19.935 0.216 -5.523 1.00 24.55 N ATOM 106 CA SER A 8 -19.174 1.227 -4.804 1.00 22.24 C ATOM 107 C SER A 8 -19.972 1.678 -3.575 1.00 51.23 C ATOM 108 O SER A 8 -21.127 1.265 -3.381 1.00 62.24 O ATOM 109 CB SER A 8 -18.887 2.399 -5.756 1.00 21.30 C ATOM 110 OG SER A 8 -20.085 2.871 -6.360 1.00 25.04 O ATOM 0 H SER A 8 -20.543 0.595 -6.249 1.00 24.55 H new ATOM 0 HA SER A 8 -18.222 0.825 -4.457 1.00 22.24 H new ATOM 0 HB2 SER A 8 -18.409 3.210 -5.206 1.00 21.30 H new ATOM 0 HB3 SER A 8 -18.187 2.081 -6.529 1.00 21.30 H new ATOM 0 HG SER A 8 -20.685 3.219 -5.668 1.00 25.04 H new ATOM 116 N SER A 9 -19.343 2.519 -2.745 1.00 74.33 N ATOM 117 CA SER A 9 -20.014 3.217 -1.635 1.00 62.24 C ATOM 118 C SER A 9 -21.120 4.154 -2.179 1.00 33.31 C ATOM 119 O SER A 9 -22.076 4.478 -1.477 1.00 14.44 O ATOM 120 CB SER A 9 -18.977 4.022 -0.817 1.00 2.24 C ATOM 121 OG SER A 9 -19.552 4.581 0.353 1.00 51.11 O ATOM 0 H SER A 9 -18.350 2.737 -2.823 1.00 74.33 H new ATOM 0 HA SER A 9 -20.480 2.479 -0.982 1.00 62.24 H new ATOM 0 HB2 SER A 9 -18.148 3.371 -0.540 1.00 2.24 H new ATOM 0 HB3 SER A 9 -18.564 4.819 -1.436 1.00 2.24 H new ATOM 0 HG SER A 9 -19.181 4.137 1.144 1.00 51.11 H new ATOM 127 N ASP A 10 -20.964 4.547 -3.455 1.00 25.34 N ATOM 128 CA ASP A 10 -21.883 5.436 -4.185 1.00 52.14 C ATOM 129 C ASP A 10 -23.047 4.632 -4.845 1.00 74.05 C ATOM 130 O ASP A 10 -23.840 5.193 -5.603 1.00 72.14 O ATOM 131 CB ASP A 10 -21.035 6.192 -5.245 1.00 20.10 C ATOM 132 CG ASP A 10 -21.773 7.324 -5.991 1.00 11.12 C ATOM 133 OD1 ASP A 10 -21.888 8.424 -5.428 1.00 43.33 O ATOM 134 OD2 ASP A 10 -22.197 7.127 -7.152 1.00 2.12 O ATOM 0 H ASP A 10 -20.172 4.246 -4.023 1.00 25.34 H new ATOM 0 HA ASP A 10 -22.357 6.143 -3.504 1.00 52.14 H new ATOM 0 HB2 ASP A 10 -20.159 6.614 -4.752 1.00 20.10 H new ATOM 0 HB3 ASP A 10 -20.672 5.471 -5.978 1.00 20.10 H new ATOM 139 N GLU A 11 -23.120 3.306 -4.546 1.00 62.02 N ATOM 140 CA GLU A 11 -24.212 2.388 -4.980 1.00 64.52 C ATOM 141 C GLU A 11 -24.159 2.027 -6.483 1.00 41.34 C ATOM 142 O GLU A 11 -25.060 1.346 -6.987 1.00 31.43 O ATOM 143 CB GLU A 11 -25.623 2.944 -4.594 1.00 74.30 C ATOM 144 CG GLU A 11 -25.871 3.097 -3.078 1.00 41.45 C ATOM 145 CD GLU A 11 -25.829 1.759 -2.329 1.00 54.31 C ATOM 146 OE1 GLU A 11 -24.807 1.444 -1.680 1.00 2.13 O ATOM 147 OE2 GLU A 11 -26.819 1.003 -2.418 1.00 64.01 O ATOM 0 H GLU A 11 -22.409 2.836 -3.986 1.00 62.02 H new ATOM 0 HA GLU A 11 -24.042 1.460 -4.434 1.00 64.52 H new ATOM 0 HB2 GLU A 11 -25.756 3.916 -5.069 1.00 74.30 H new ATOM 0 HB3 GLU A 11 -26.384 2.281 -5.006 1.00 74.30 H new ATOM 0 HG2 GLU A 11 -25.121 3.767 -2.658 1.00 41.45 H new ATOM 0 HG3 GLU A 11 -26.842 3.566 -2.919 1.00 41.45 H new ATOM 154 N LYS A 12 -23.103 2.464 -7.189 1.00 51.32 N ATOM 155 CA LYS A 12 -22.917 2.145 -8.618 1.00 53.43 C ATOM 156 C LYS A 12 -22.244 0.772 -8.771 1.00 60.22 C ATOM 157 O LYS A 12 -21.163 0.541 -8.218 1.00 53.44 O ATOM 158 CB LYS A 12 -22.101 3.251 -9.338 1.00 14.03 C ATOM 159 CG LYS A 12 -22.893 4.552 -9.583 1.00 44.00 C ATOM 160 CD LYS A 12 -22.096 5.603 -10.389 1.00 64.22 C ATOM 161 CE LYS A 12 -22.953 6.819 -10.792 1.00 62.15 C ATOM 162 NZ LYS A 12 -23.558 7.510 -9.620 1.00 35.15 N ATOM 0 H LYS A 12 -22.361 3.042 -6.793 1.00 51.32 H new ATOM 0 HA LYS A 12 -23.898 2.103 -9.092 1.00 53.43 H new ATOM 0 HB2 LYS A 12 -21.217 3.482 -8.744 1.00 14.03 H new ATOM 0 HB3 LYS A 12 -21.750 2.865 -10.295 1.00 14.03 H new ATOM 0 HG2 LYS A 12 -23.814 4.315 -10.116 1.00 44.00 H new ATOM 0 HG3 LYS A 12 -23.182 4.981 -8.623 1.00 44.00 H new ATOM 0 HD2 LYS A 12 -21.247 5.943 -9.796 1.00 64.22 H new ATOM 0 HD3 LYS A 12 -21.691 5.136 -11.287 1.00 64.22 H new ATOM 0 HE2 LYS A 12 -22.335 7.526 -11.346 1.00 62.15 H new ATOM 0 HE3 LYS A 12 -23.746 6.492 -11.465 1.00 62.15 H new ATOM 0 HZ1 LYS A 12 -23.578 8.535 -9.794 1.00 35.15 H new ATOM 0 HZ2 LYS A 12 -24.528 7.164 -9.476 1.00 35.15 H new ATOM 0 HZ3 LYS A 12 -22.991 7.314 -8.771 1.00 35.15 H new ATOM 176 N VAL A 13 -22.913 -0.121 -9.519 1.00 1.02 N ATOM 177 CA VAL A 13 -22.451 -1.495 -9.784 1.00 44.31 C ATOM 178 C VAL A 13 -21.422 -1.483 -10.932 1.00 2.41 C ATOM 179 O VAL A 13 -21.752 -1.103 -12.063 1.00 22.21 O ATOM 180 CB VAL A 13 -23.660 -2.428 -10.173 1.00 30.24 C ATOM 181 CG1 VAL A 13 -23.196 -3.884 -10.433 1.00 21.24 C ATOM 182 CG2 VAL A 13 -24.780 -2.367 -9.105 1.00 33.23 C ATOM 0 H VAL A 13 -23.805 0.095 -9.964 1.00 1.02 H new ATOM 0 HA VAL A 13 -21.989 -1.884 -8.877 1.00 44.31 H new ATOM 0 HB VAL A 13 -24.078 -2.054 -11.108 1.00 30.24 H new ATOM 0 HG11 VAL A 13 -24.056 -4.498 -10.699 1.00 21.24 H new ATOM 0 HG12 VAL A 13 -22.476 -3.896 -11.251 1.00 21.24 H new ATOM 0 HG13 VAL A 13 -22.729 -4.283 -9.533 1.00 21.24 H new ATOM 0 HG21 VAL A 13 -25.601 -3.021 -9.401 1.00 33.23 H new ATOM 0 HG22 VAL A 13 -24.384 -2.694 -8.143 1.00 33.23 H new ATOM 0 HG23 VAL A 13 -25.145 -1.343 -9.018 1.00 33.23 H new ATOM 192 N PHE A 14 -20.179 -1.886 -10.633 1.00 54.30 N ATOM 193 CA PHE A 14 -19.085 -1.945 -11.615 1.00 43.15 C ATOM 194 C PHE A 14 -18.794 -3.401 -11.995 1.00 73.22 C ATOM 195 O PHE A 14 -18.161 -4.145 -11.242 1.00 75.51 O ATOM 196 CB PHE A 14 -17.828 -1.225 -11.064 1.00 13.55 C ATOM 197 CG PHE A 14 -18.034 0.280 -10.957 1.00 21.14 C ATOM 198 CD1 PHE A 14 -17.961 1.085 -12.096 1.00 35.53 C ATOM 199 CD2 PHE A 14 -18.338 0.887 -9.743 1.00 20.24 C ATOM 200 CE1 PHE A 14 -18.194 2.439 -12.021 1.00 14.34 C ATOM 201 CE2 PHE A 14 -18.561 2.243 -9.671 1.00 23.45 C ATOM 202 CZ PHE A 14 -18.488 3.016 -10.808 1.00 45.20 C ATOM 0 H PHE A 14 -19.902 -2.182 -9.697 1.00 54.30 H new ATOM 0 HA PHE A 14 -19.387 -1.423 -12.523 1.00 43.15 H new ATOM 0 HB2 PHE A 14 -17.581 -1.628 -10.082 1.00 13.55 H new ATOM 0 HB3 PHE A 14 -16.978 -1.429 -11.715 1.00 13.55 H new ATOM 0 HD1 PHE A 14 -17.718 0.638 -13.049 1.00 35.53 H new ATOM 0 HD2 PHE A 14 -18.400 0.287 -8.847 1.00 20.24 H new ATOM 0 HE1 PHE A 14 -18.146 3.047 -12.912 1.00 14.34 H new ATOM 0 HE2 PHE A 14 -18.794 2.702 -8.721 1.00 23.45 H new ATOM 0 HZ PHE A 14 -18.662 4.080 -10.747 1.00 45.20 H new ATOM 212 N GLU A 15 -19.303 -3.796 -13.174 1.00 15.03 N ATOM 213 CA GLU A 15 -19.157 -5.150 -13.716 1.00 41.54 C ATOM 214 C GLU A 15 -17.880 -5.223 -14.571 1.00 42.30 C ATOM 215 O GLU A 15 -17.878 -4.831 -15.745 1.00 40.12 O ATOM 216 CB GLU A 15 -20.410 -5.519 -14.549 1.00 72.23 C ATOM 217 CG GLU A 15 -21.737 -5.350 -13.786 1.00 14.02 C ATOM 218 CD GLU A 15 -22.969 -5.701 -14.631 1.00 70.34 C ATOM 219 OE1 GLU A 15 -23.473 -4.822 -15.363 1.00 64.33 O ATOM 220 OE2 GLU A 15 -23.434 -6.859 -14.575 1.00 73.02 O ATOM 0 H GLU A 15 -19.834 -3.173 -13.783 1.00 15.03 H new ATOM 0 HA GLU A 15 -19.069 -5.869 -12.901 1.00 41.54 H new ATOM 0 HB2 GLU A 15 -20.435 -4.898 -15.444 1.00 72.23 H new ATOM 0 HB3 GLU A 15 -20.322 -6.553 -14.881 1.00 72.23 H new ATOM 0 HG2 GLU A 15 -21.721 -5.982 -12.898 1.00 14.02 H new ATOM 0 HG3 GLU A 15 -21.822 -4.319 -13.442 1.00 14.02 H new ATOM 227 N ILE A 16 -16.785 -5.649 -13.939 1.00 74.12 N ATOM 228 CA ILE A 16 -15.480 -5.843 -14.603 1.00 4.03 C ATOM 229 C ILE A 16 -15.298 -7.341 -14.928 1.00 31.04 C ATOM 230 O ILE A 16 -15.937 -8.196 -14.302 1.00 5.22 O ATOM 231 CB ILE A 16 -14.295 -5.325 -13.695 1.00 55.24 C ATOM 232 CG1 ILE A 16 -12.927 -5.383 -14.455 1.00 51.15 C ATOM 233 CG2 ILE A 16 -14.232 -6.094 -12.348 1.00 4.43 C ATOM 234 CD1 ILE A 16 -11.725 -4.977 -13.636 1.00 13.25 C ATOM 0 H ILE A 16 -16.771 -5.873 -12.944 1.00 74.12 H new ATOM 0 HA ILE A 16 -15.462 -5.263 -15.526 1.00 4.03 H new ATOM 0 HB ILE A 16 -14.495 -4.279 -13.461 1.00 55.24 H new ATOM 0 HG12 ILE A 16 -12.774 -6.399 -14.819 1.00 51.15 H new ATOM 0 HG13 ILE A 16 -12.987 -4.736 -15.330 1.00 51.15 H new ATOM 0 HG21 ILE A 16 -13.405 -5.712 -11.749 1.00 4.43 H new ATOM 0 HG22 ILE A 16 -15.167 -5.956 -11.806 1.00 4.43 H new ATOM 0 HG23 ILE A 16 -14.079 -7.156 -12.542 1.00 4.43 H new ATOM 0 HD11 ILE A 16 -10.826 -5.050 -14.248 1.00 13.25 H new ATOM 0 HD12 ILE A 16 -11.848 -3.950 -13.293 1.00 13.25 H new ATOM 0 HD13 ILE A 16 -11.632 -5.638 -12.774 1.00 13.25 H new ATOM 246 N GLU A 17 -14.441 -7.646 -15.920 1.00 74.41 N ATOM 247 CA GLU A 17 -14.096 -9.023 -16.298 1.00 71.24 C ATOM 248 C GLU A 17 -13.464 -9.748 -15.093 1.00 45.24 C ATOM 249 O GLU A 17 -12.572 -9.206 -14.422 1.00 3.35 O ATOM 250 CB GLU A 17 -13.134 -9.054 -17.529 1.00 73.51 C ATOM 251 CG GLU A 17 -13.708 -8.448 -18.841 1.00 31.33 C ATOM 252 CD GLU A 17 -13.756 -6.906 -18.872 1.00 31.21 C ATOM 253 OE1 GLU A 17 -14.778 -6.311 -18.467 1.00 11.22 O ATOM 254 OE2 GLU A 17 -12.760 -6.281 -19.272 1.00 31.11 O ATOM 0 H GLU A 17 -13.968 -6.939 -16.482 1.00 74.41 H new ATOM 0 HA GLU A 17 -15.010 -9.540 -16.588 1.00 71.24 H new ATOM 0 HB2 GLU A 17 -12.222 -8.516 -17.269 1.00 73.51 H new ATOM 0 HB3 GLU A 17 -12.850 -10.089 -17.721 1.00 73.51 H new ATOM 0 HG2 GLU A 17 -13.105 -8.796 -19.680 1.00 31.33 H new ATOM 0 HG3 GLU A 17 -14.717 -8.832 -18.992 1.00 31.33 H new ATOM 261 N LYS A 18 -13.955 -10.968 -14.841 1.00 70.41 N ATOM 262 CA LYS A 18 -13.626 -11.770 -13.651 1.00 32.21 C ATOM 263 C LYS A 18 -12.118 -12.094 -13.571 1.00 11.11 C ATOM 264 O LYS A 18 -11.550 -12.157 -12.471 1.00 51.11 O ATOM 265 CB LYS A 18 -14.491 -13.058 -13.673 1.00 72.41 C ATOM 266 CG LYS A 18 -14.280 -14.022 -12.486 1.00 41.14 C ATOM 267 CD LYS A 18 -15.294 -15.190 -12.498 1.00 21.24 C ATOM 268 CE LYS A 18 -14.974 -16.255 -11.442 1.00 13.12 C ATOM 269 NZ LYS A 18 -13.677 -16.923 -11.721 1.00 24.22 N ATOM 0 H LYS A 18 -14.606 -11.437 -15.471 1.00 70.41 H new ATOM 0 HA LYS A 18 -13.853 -11.194 -12.754 1.00 32.21 H new ATOM 0 HB2 LYS A 18 -15.541 -12.769 -13.701 1.00 72.41 H new ATOM 0 HB3 LYS A 18 -14.284 -13.597 -14.597 1.00 72.41 H new ATOM 0 HG2 LYS A 18 -13.267 -14.422 -12.520 1.00 41.14 H new ATOM 0 HG3 LYS A 18 -14.374 -13.471 -11.550 1.00 41.14 H new ATOM 0 HD2 LYS A 18 -16.296 -14.799 -12.323 1.00 21.24 H new ATOM 0 HD3 LYS A 18 -15.300 -15.652 -13.485 1.00 21.24 H new ATOM 0 HE2 LYS A 18 -14.942 -15.793 -10.455 1.00 13.12 H new ATOM 0 HE3 LYS A 18 -15.771 -16.999 -11.420 1.00 13.12 H new ATOM 0 HZ1 LYS A 18 -13.613 -17.802 -11.169 1.00 24.22 H new ATOM 0 HZ2 LYS A 18 -13.612 -17.146 -12.735 1.00 24.22 H new ATOM 0 HZ3 LYS A 18 -12.896 -16.290 -11.455 1.00 24.22 H new ATOM 283 N GLU A 19 -11.481 -12.253 -14.748 1.00 65.11 N ATOM 284 CA GLU A 19 -10.034 -12.519 -14.852 1.00 74.40 C ATOM 285 C GLU A 19 -9.194 -11.304 -14.381 1.00 20.24 C ATOM 286 O GLU A 19 -8.113 -11.467 -13.816 1.00 11.32 O ATOM 287 CB GLU A 19 -9.649 -12.901 -16.307 1.00 72.21 C ATOM 288 CG GLU A 19 -9.895 -11.796 -17.368 1.00 72.20 C ATOM 289 CD GLU A 19 -9.357 -12.138 -18.770 1.00 73.10 C ATOM 290 OE1 GLU A 19 -9.980 -11.753 -19.780 1.00 65.22 O ATOM 291 OE2 GLU A 19 -8.287 -12.778 -18.869 1.00 71.12 O ATOM 0 H GLU A 19 -11.954 -12.201 -15.650 1.00 65.11 H new ATOM 0 HA GLU A 19 -9.810 -13.359 -14.194 1.00 74.40 H new ATOM 0 HB2 GLU A 19 -8.594 -13.173 -16.327 1.00 72.21 H new ATOM 0 HB3 GLU A 19 -10.212 -13.789 -16.593 1.00 72.21 H new ATOM 0 HG2 GLU A 19 -10.966 -11.607 -17.438 1.00 72.20 H new ATOM 0 HG3 GLU A 19 -9.430 -10.871 -17.028 1.00 72.20 H new ATOM 298 N ILE A 20 -9.708 -10.086 -14.644 1.00 45.24 N ATOM 299 CA ILE A 20 -9.021 -8.823 -14.308 1.00 22.01 C ATOM 300 C ILE A 20 -9.239 -8.473 -12.817 1.00 14.02 C ATOM 301 O ILE A 20 -8.387 -7.851 -12.181 1.00 63.25 O ATOM 302 CB ILE A 20 -9.510 -7.641 -15.231 1.00 33.25 C ATOM 303 CG1 ILE A 20 -9.417 -8.048 -16.740 1.00 71.32 C ATOM 304 CG2 ILE A 20 -8.697 -6.356 -14.950 1.00 23.10 C ATOM 305 CD1 ILE A 20 -9.839 -6.977 -17.737 1.00 63.42 C ATOM 0 H ILE A 20 -10.612 -9.950 -15.096 1.00 45.24 H new ATOM 0 HA ILE A 20 -7.954 -8.963 -14.484 1.00 22.01 H new ATOM 0 HB ILE A 20 -10.555 -7.433 -15.001 1.00 33.25 H new ATOM 0 HG12 ILE A 20 -8.389 -8.337 -16.957 1.00 71.32 H new ATOM 0 HG13 ILE A 20 -10.036 -8.931 -16.899 1.00 71.32 H new ATOM 0 HG21 ILE A 20 -9.050 -5.553 -15.597 1.00 23.10 H new ATOM 0 HG22 ILE A 20 -8.825 -6.065 -13.907 1.00 23.10 H new ATOM 0 HG23 ILE A 20 -7.641 -6.543 -15.147 1.00 23.10 H new ATOM 0 HD11 ILE A 20 -9.736 -7.363 -18.751 1.00 63.42 H new ATOM 0 HD12 ILE A 20 -10.878 -6.702 -17.557 1.00 63.42 H new ATOM 0 HD13 ILE A 20 -9.205 -6.098 -17.617 1.00 63.42 H new ATOM 317 N ALA A 21 -10.393 -8.897 -12.271 1.00 24.11 N ATOM 318 CA ALA A 21 -10.723 -8.742 -10.834 1.00 63.04 C ATOM 319 C ALA A 21 -9.746 -9.530 -9.930 1.00 42.01 C ATOM 320 O ALA A 21 -9.606 -9.228 -8.738 1.00 11.34 O ATOM 321 CB ALA A 21 -12.169 -9.185 -10.585 1.00 45.34 C ATOM 0 H ALA A 21 -11.126 -9.358 -12.810 1.00 24.11 H new ATOM 0 HA ALA A 21 -10.619 -7.688 -10.575 1.00 63.04 H new ATOM 0 HB1 ALA A 21 -12.408 -9.070 -9.528 1.00 45.34 H new ATOM 0 HB2 ALA A 21 -12.845 -8.570 -11.179 1.00 45.34 H new ATOM 0 HB3 ALA A 21 -12.284 -10.231 -10.871 1.00 45.34 H new ATOM 327 N CYS A 22 -9.070 -10.534 -10.527 1.00 2.24 N ATOM 328 CA CYS A 22 -8.050 -11.348 -9.851 1.00 10.33 C ATOM 329 C CYS A 22 -6.766 -10.536 -9.538 1.00 54.44 C ATOM 330 O CYS A 22 -5.999 -10.904 -8.646 1.00 15.10 O ATOM 331 CB CYS A 22 -7.713 -12.571 -10.720 1.00 45.42 C ATOM 332 SG CYS A 22 -9.165 -13.541 -11.192 1.00 25.02 S ATOM 0 H CYS A 22 -9.221 -10.801 -11.500 1.00 2.24 H new ATOM 0 HA CYS A 22 -8.460 -11.675 -8.895 1.00 10.33 H new ATOM 0 HB2 CYS A 22 -7.200 -12.236 -11.622 1.00 45.42 H new ATOM 0 HB3 CYS A 22 -7.018 -13.212 -10.178 1.00 45.42 H new ATOM 0 HG CYS A 22 -10.016 -12.776 -11.810 1.00 25.02 H new ATOM 338 N MET A 23 -6.535 -9.444 -10.296 1.00 53.41 N ATOM 339 CA MET A 23 -5.355 -8.563 -10.113 1.00 15.34 C ATOM 340 C MET A 23 -5.410 -7.836 -8.758 1.00 0.30 C ATOM 341 O MET A 23 -4.373 -7.559 -8.137 1.00 51.43 O ATOM 342 CB MET A 23 -5.269 -7.541 -11.264 1.00 55.02 C ATOM 343 CG MET A 23 -5.110 -8.171 -12.650 1.00 22.40 C ATOM 344 SD MET A 23 -5.048 -6.933 -13.953 1.00 13.33 S ATOM 345 CE MET A 23 -3.615 -5.966 -13.468 1.00 15.12 C ATOM 0 H MET A 23 -7.155 -9.146 -11.049 1.00 53.41 H new ATOM 0 HA MET A 23 -4.462 -9.187 -10.125 1.00 15.34 H new ATOM 0 HB2 MET A 23 -6.169 -6.926 -11.257 1.00 55.02 H new ATOM 0 HB3 MET A 23 -4.426 -6.874 -11.081 1.00 55.02 H new ATOM 0 HG2 MET A 23 -4.198 -8.768 -12.674 1.00 22.40 H new ATOM 0 HG3 MET A 23 -5.941 -8.851 -12.836 1.00 22.40 H new ATOM 0 HE1 MET A 23 -3.940 -4.989 -13.109 1.00 15.12 H new ATOM 0 HE2 MET A 23 -3.078 -6.484 -12.674 1.00 15.12 H new ATOM 0 HE3 MET A 23 -2.956 -5.836 -14.326 1.00 15.12 H new ATOM 355 N SER A 24 -6.634 -7.513 -8.332 1.00 33.03 N ATOM 356 CA SER A 24 -6.907 -7.038 -6.979 1.00 4.32 C ATOM 357 C SER A 24 -6.801 -8.241 -6.034 1.00 24.25 C ATOM 358 O SER A 24 -7.621 -9.159 -6.127 1.00 2.44 O ATOM 359 CB SER A 24 -8.315 -6.405 -6.907 1.00 61.35 C ATOM 360 OG SER A 24 -8.643 -6.024 -5.582 1.00 52.14 O ATOM 0 H SER A 24 -7.465 -7.575 -8.921 1.00 33.03 H new ATOM 0 HA SER A 24 -6.189 -6.270 -6.690 1.00 4.32 H new ATOM 0 HB2 SER A 24 -8.357 -5.533 -7.559 1.00 61.35 H new ATOM 0 HB3 SER A 24 -9.054 -7.115 -7.277 1.00 61.35 H new ATOM 0 HG SER A 24 -7.823 -5.951 -5.050 1.00 52.14 H new ATOM 366 N VAL A 25 -5.765 -8.246 -5.168 1.00 74.41 N ATOM 367 CA VAL A 25 -5.483 -9.370 -4.252 1.00 41.31 C ATOM 368 C VAL A 25 -6.676 -9.616 -3.304 1.00 42.13 C ATOM 369 O VAL A 25 -7.083 -10.758 -3.120 1.00 51.23 O ATOM 370 CB VAL A 25 -4.150 -9.135 -3.432 1.00 42.50 C ATOM 371 CG1 VAL A 25 -3.896 -10.254 -2.385 1.00 72.44 C ATOM 372 CG2 VAL A 25 -2.936 -8.993 -4.393 1.00 12.23 C ATOM 0 H VAL A 25 -5.104 -7.474 -5.085 1.00 74.41 H new ATOM 0 HA VAL A 25 -5.338 -10.262 -4.861 1.00 41.31 H new ATOM 0 HB VAL A 25 -4.272 -8.204 -2.879 1.00 42.50 H new ATOM 0 HG11 VAL A 25 -2.970 -10.047 -1.849 1.00 72.44 H new ATOM 0 HG12 VAL A 25 -4.725 -10.286 -1.678 1.00 72.44 H new ATOM 0 HG13 VAL A 25 -3.814 -11.215 -2.892 1.00 72.44 H new ATOM 0 HG21 VAL A 25 -2.028 -8.832 -3.811 1.00 12.23 H new ATOM 0 HG22 VAL A 25 -2.832 -9.903 -4.984 1.00 12.23 H new ATOM 0 HG23 VAL A 25 -3.096 -8.144 -5.058 1.00 12.23 H new ATOM 382 N THR A 26 -7.249 -8.525 -2.758 1.00 21.14 N ATOM 383 CA THR A 26 -8.404 -8.590 -1.839 1.00 42.04 C ATOM 384 C THR A 26 -9.649 -9.216 -2.512 1.00 2.32 C ATOM 385 O THR A 26 -10.220 -10.172 -1.973 1.00 33.23 O ATOM 386 CB THR A 26 -8.747 -7.169 -1.285 1.00 32.21 C ATOM 387 OG1 THR A 26 -7.603 -6.644 -0.587 1.00 4.23 O ATOM 388 CG2 THR A 26 -9.970 -7.164 -0.341 1.00 41.15 C ATOM 0 H THR A 26 -6.925 -7.575 -2.941 1.00 21.14 H new ATOM 0 HA THR A 26 -8.118 -9.237 -1.010 1.00 42.04 H new ATOM 0 HB THR A 26 -9.004 -6.545 -2.141 1.00 32.21 H new ATOM 0 HG1 THR A 26 -7.796 -5.733 -0.282 1.00 4.23 H new ATOM 0 HG21 THR A 26 -10.155 -6.148 0.009 1.00 41.15 H new ATOM 0 HG22 THR A 26 -10.846 -7.528 -0.878 1.00 41.15 H new ATOM 0 HG23 THR A 26 -9.773 -7.812 0.513 1.00 41.15 H new ATOM 396 N ILE A 27 -10.043 -8.689 -3.701 1.00 63.31 N ATOM 397 CA ILE A 27 -11.227 -9.182 -4.448 1.00 54.13 C ATOM 398 C ILE A 27 -11.035 -10.665 -4.827 1.00 42.02 C ATOM 399 O ILE A 27 -11.935 -11.485 -4.612 1.00 52.44 O ATOM 400 CB ILE A 27 -11.526 -8.314 -5.735 1.00 72.34 C ATOM 401 CG1 ILE A 27 -11.872 -6.840 -5.338 1.00 64.51 C ATOM 402 CG2 ILE A 27 -12.660 -8.936 -6.601 1.00 75.31 C ATOM 403 CD1 ILE A 27 -12.155 -5.911 -6.513 1.00 43.52 C ATOM 0 H ILE A 27 -9.555 -7.921 -4.162 1.00 63.31 H new ATOM 0 HA ILE A 27 -12.092 -9.087 -3.791 1.00 54.13 H new ATOM 0 HB ILE A 27 -10.622 -8.306 -6.343 1.00 72.34 H new ATOM 0 HG12 ILE A 27 -12.743 -6.850 -4.683 1.00 64.51 H new ATOM 0 HG13 ILE A 27 -11.043 -6.430 -4.760 1.00 64.51 H new ATOM 0 HG21 ILE A 27 -12.835 -8.310 -7.476 1.00 75.31 H new ATOM 0 HG22 ILE A 27 -12.366 -9.935 -6.923 1.00 75.31 H new ATOM 0 HG23 ILE A 27 -13.575 -9.000 -6.012 1.00 75.31 H new ATOM 0 HD11 ILE A 27 -12.385 -4.913 -6.140 1.00 43.52 H new ATOM 0 HD12 ILE A 27 -11.279 -5.864 -7.159 1.00 43.52 H new ATOM 0 HD13 ILE A 27 -13.005 -6.291 -7.081 1.00 43.52 H new ATOM 415 N LYS A 28 -9.826 -10.984 -5.328 1.00 71.12 N ATOM 416 CA LYS A 28 -9.431 -12.342 -5.730 1.00 35.44 C ATOM 417 C LYS A 28 -9.603 -13.329 -4.563 1.00 72.44 C ATOM 418 O LYS A 28 -10.307 -14.327 -4.697 1.00 50.45 O ATOM 419 CB LYS A 28 -7.956 -12.341 -6.198 1.00 13.43 C ATOM 420 CG LYS A 28 -7.439 -13.696 -6.738 1.00 44.42 C ATOM 421 CD LYS A 28 -5.915 -13.704 -6.986 1.00 20.24 C ATOM 422 CE LYS A 28 -5.107 -13.414 -5.705 1.00 62.41 C ATOM 423 NZ LYS A 28 -5.374 -14.418 -4.642 1.00 42.24 N ATOM 0 H LYS A 28 -9.088 -10.294 -5.466 1.00 71.12 H new ATOM 0 HA LYS A 28 -10.075 -12.660 -6.550 1.00 35.44 H new ATOM 0 HB2 LYS A 28 -7.839 -11.588 -6.977 1.00 13.43 H new ATOM 0 HB3 LYS A 28 -7.326 -12.036 -5.363 1.00 13.43 H new ATOM 0 HG2 LYS A 28 -7.690 -14.484 -6.028 1.00 44.42 H new ATOM 0 HG3 LYS A 28 -7.954 -13.930 -7.669 1.00 44.42 H new ATOM 0 HD2 LYS A 28 -5.620 -14.674 -7.386 1.00 20.24 H new ATOM 0 HD3 LYS A 28 -5.669 -12.959 -7.743 1.00 20.24 H new ATOM 0 HE2 LYS A 28 -4.043 -13.409 -5.940 1.00 62.41 H new ATOM 0 HE3 LYS A 28 -5.357 -12.419 -5.336 1.00 62.41 H new ATOM 0 HZ1 LYS A 28 -5.713 -13.935 -3.786 1.00 42.24 H new ATOM 0 HZ2 LYS A 28 -6.098 -15.088 -4.971 1.00 42.24 H new ATOM 0 HZ3 LYS A 28 -4.498 -14.935 -4.425 1.00 42.24 H new ATOM 437 N ASN A 29 -8.991 -12.983 -3.401 1.00 15.25 N ATOM 438 CA ASN A 29 -8.987 -13.837 -2.194 1.00 43.34 C ATOM 439 C ASN A 29 -10.413 -14.106 -1.699 1.00 12.34 C ATOM 440 O ASN A 29 -10.702 -15.211 -1.263 1.00 52.03 O ATOM 441 CB ASN A 29 -8.160 -13.214 -1.033 1.00 65.42 C ATOM 442 CG ASN A 29 -6.655 -13.127 -1.292 1.00 11.31 C ATOM 443 OD1 ASN A 29 -6.096 -13.883 -2.080 1.00 24.24 O ATOM 444 ND2 ASN A 29 -5.986 -12.215 -0.598 1.00 71.13 N ATOM 0 H ASN A 29 -8.488 -12.104 -3.279 1.00 15.25 H new ATOM 0 HA ASN A 29 -8.518 -14.775 -2.490 1.00 43.34 H new ATOM 0 HB2 ASN A 29 -8.539 -12.212 -0.833 1.00 65.42 H new ATOM 0 HB3 ASN A 29 -8.326 -13.803 -0.131 1.00 65.42 H new ATOM 0 HD21 ASN A 29 -4.976 -12.127 -0.712 1.00 71.13 H new ATOM 0 HD22 ASN A 29 -6.482 -11.602 0.049 1.00 71.13 H new ATOM 451 N MET A 30 -11.290 -13.081 -1.774 1.00 61.34 N ATOM 452 CA MET A 30 -12.689 -13.187 -1.305 1.00 14.14 C ATOM 453 C MET A 30 -13.510 -14.136 -2.201 1.00 45.11 C ATOM 454 O MET A 30 -14.306 -14.926 -1.692 1.00 31.14 O ATOM 455 CB MET A 30 -13.361 -11.786 -1.211 1.00 4.13 C ATOM 456 CG MET A 30 -12.783 -10.876 -0.114 1.00 73.55 C ATOM 457 SD MET A 30 -13.689 -9.316 0.066 1.00 45.44 S ATOM 458 CE MET A 30 -13.466 -8.543 -1.539 1.00 62.11 C ATOM 0 H MET A 30 -11.052 -12.166 -2.157 1.00 61.34 H new ATOM 0 HA MET A 30 -12.667 -13.613 -0.302 1.00 14.14 H new ATOM 0 HB2 MET A 30 -13.261 -11.283 -2.173 1.00 4.13 H new ATOM 0 HB3 MET A 30 -14.428 -11.920 -1.031 1.00 4.13 H new ATOM 0 HG2 MET A 30 -12.797 -11.409 0.837 1.00 73.55 H new ATOM 0 HG3 MET A 30 -11.740 -10.659 -0.343 1.00 73.55 H new ATOM 0 HE1 MET A 30 -13.851 -7.524 -1.509 1.00 62.11 H new ATOM 0 HE2 MET A 30 -12.405 -8.523 -1.789 1.00 62.11 H new ATOM 0 HE3 MET A 30 -14.006 -9.113 -2.295 1.00 62.11 H new ATOM 468 N ILE A 31 -13.279 -14.069 -3.531 1.00 71.20 N ATOM 469 CA ILE A 31 -13.939 -14.965 -4.507 1.00 41.21 C ATOM 470 C ILE A 31 -13.489 -16.424 -4.260 1.00 13.13 C ATOM 471 O ILE A 31 -14.310 -17.338 -4.263 1.00 24.25 O ATOM 472 CB ILE A 31 -13.624 -14.540 -5.999 1.00 35.15 C ATOM 473 CG1 ILE A 31 -14.132 -13.086 -6.282 1.00 70.20 C ATOM 474 CG2 ILE A 31 -14.238 -15.537 -7.023 1.00 53.42 C ATOM 475 CD1 ILE A 31 -13.782 -12.542 -7.664 1.00 21.22 C ATOM 0 H ILE A 31 -12.637 -13.400 -3.955 1.00 71.20 H new ATOM 0 HA ILE A 31 -15.017 -14.885 -4.365 1.00 41.21 H new ATOM 0 HB ILE A 31 -12.541 -14.562 -6.121 1.00 35.15 H new ATOM 0 HG12 ILE A 31 -15.215 -13.065 -6.163 1.00 70.20 H new ATOM 0 HG13 ILE A 31 -13.716 -12.418 -5.528 1.00 70.20 H new ATOM 0 HG21 ILE A 31 -14.000 -15.211 -8.036 1.00 53.42 H new ATOM 0 HG22 ILE A 31 -13.825 -16.532 -6.855 1.00 53.42 H new ATOM 0 HG23 ILE A 31 -15.320 -15.568 -6.897 1.00 53.42 H new ATOM 0 HD11 ILE A 31 -14.175 -11.531 -7.767 1.00 21.22 H new ATOM 0 HD12 ILE A 31 -12.699 -12.524 -7.784 1.00 21.22 H new ATOM 0 HD13 ILE A 31 -14.222 -13.182 -8.429 1.00 21.22 H new ATOM 487 N GLU A 32 -12.176 -16.597 -3.992 1.00 20.43 N ATOM 488 CA GLU A 32 -11.549 -17.917 -3.744 1.00 52.15 C ATOM 489 C GLU A 32 -11.954 -18.490 -2.373 1.00 62.44 C ATOM 490 O GLU A 32 -12.074 -19.707 -2.215 1.00 3.03 O ATOM 491 CB GLU A 32 -10.002 -17.798 -3.835 1.00 3.44 C ATOM 492 CG GLU A 32 -9.480 -17.321 -5.206 1.00 22.40 C ATOM 493 CD GLU A 32 -7.964 -17.071 -5.240 1.00 70.42 C ATOM 494 OE1 GLU A 32 -7.261 -17.647 -6.100 1.00 60.04 O ATOM 495 OE2 GLU A 32 -7.471 -16.281 -4.405 1.00 20.41 O ATOM 0 H GLU A 32 -11.516 -15.821 -3.941 1.00 20.43 H new ATOM 0 HA GLU A 32 -11.906 -18.604 -4.511 1.00 52.15 H new ATOM 0 HB2 GLU A 32 -9.657 -17.105 -3.067 1.00 3.44 H new ATOM 0 HB3 GLU A 32 -9.561 -18.769 -3.610 1.00 3.44 H new ATOM 0 HG2 GLU A 32 -9.733 -18.067 -5.960 1.00 22.40 H new ATOM 0 HG3 GLU A 32 -9.997 -16.402 -5.481 1.00 22.40 H new ATOM 502 N ASP A 33 -12.173 -17.583 -1.404 1.00 55.01 N ATOM 503 CA ASP A 33 -12.547 -17.924 -0.014 1.00 44.45 C ATOM 504 C ASP A 33 -13.969 -18.503 0.029 1.00 72.54 C ATOM 505 O ASP A 33 -14.262 -19.417 0.810 1.00 73.13 O ATOM 506 CB ASP A 33 -12.440 -16.660 0.887 1.00 71.02 C ATOM 507 CG ASP A 33 -12.829 -16.915 2.354 1.00 64.10 C ATOM 508 OD1 ASP A 33 -12.001 -17.465 3.108 1.00 64.25 O ATOM 509 OD2 ASP A 33 -13.956 -16.562 2.761 1.00 41.53 O ATOM 0 H ASP A 33 -12.095 -16.579 -1.564 1.00 55.01 H new ATOM 0 HA ASP A 33 -11.860 -18.681 0.364 1.00 44.45 H new ATOM 0 HB2 ASP A 33 -11.418 -16.284 0.851 1.00 71.02 H new ATOM 0 HB3 ASP A 33 -13.082 -15.879 0.480 1.00 71.02 H new ATOM 514 N ILE A 34 -14.840 -17.941 -0.818 1.00 34.34 N ATOM 515 CA ILE A 34 -16.214 -18.432 -1.024 1.00 21.43 C ATOM 516 C ILE A 34 -16.203 -19.648 -1.986 1.00 25.43 C ATOM 517 O ILE A 34 -17.049 -20.543 -1.893 1.00 41.33 O ATOM 518 CB ILE A 34 -17.128 -17.265 -1.580 1.00 4.12 C ATOM 519 CG1 ILE A 34 -17.119 -16.058 -0.575 1.00 3.51 C ATOM 520 CG2 ILE A 34 -18.574 -17.753 -1.860 1.00 34.41 C ATOM 521 CD1 ILE A 34 -17.885 -14.822 -1.028 1.00 12.03 C ATOM 0 H ILE A 34 -14.612 -17.125 -1.386 1.00 34.34 H new ATOM 0 HA ILE A 34 -16.629 -18.760 -0.071 1.00 21.43 H new ATOM 0 HB ILE A 34 -16.718 -16.932 -2.533 1.00 4.12 H new ATOM 0 HG12 ILE A 34 -17.536 -16.395 0.374 1.00 3.51 H new ATOM 0 HG13 ILE A 34 -16.084 -15.773 -0.385 1.00 3.51 H new ATOM 0 HG21 ILE A 34 -19.171 -16.924 -2.240 1.00 34.41 H new ATOM 0 HG22 ILE A 34 -18.551 -18.553 -2.600 1.00 34.41 H new ATOM 0 HG23 ILE A 34 -19.017 -18.126 -0.937 1.00 34.41 H new ATOM 0 HD11 ILE A 34 -17.815 -14.050 -0.262 1.00 12.03 H new ATOM 0 HD12 ILE A 34 -17.457 -14.450 -1.959 1.00 12.03 H new ATOM 0 HD13 ILE A 34 -18.932 -15.081 -1.188 1.00 12.03 H new ATOM 533 N GLY A 35 -15.198 -19.681 -2.876 1.00 71.23 N ATOM 534 CA GLY A 35 -15.059 -20.725 -3.894 1.00 21.14 C ATOM 535 C GLY A 35 -15.175 -20.113 -5.278 1.00 0.33 C ATOM 536 O GLY A 35 -14.217 -20.122 -6.062 1.00 52.32 O ATOM 0 H GLY A 35 -14.458 -18.980 -2.906 1.00 71.23 H new ATOM 0 HA2 GLY A 35 -14.096 -21.224 -3.787 1.00 21.14 H new ATOM 0 HA3 GLY A 35 -15.829 -21.484 -3.757 1.00 21.14 H new ATOM 540 N GLU A 36 -16.360 -19.550 -5.548 1.00 1.11 N ATOM 541 CA GLU A 36 -16.655 -18.778 -6.757 1.00 22.30 C ATOM 542 C GLU A 36 -17.945 -17.983 -6.496 1.00 31.43 C ATOM 543 O GLU A 36 -19.048 -18.538 -6.548 1.00 14.02 O ATOM 544 CB GLU A 36 -16.801 -19.699 -8.002 1.00 41.44 C ATOM 545 CG GLU A 36 -17.044 -18.944 -9.327 1.00 74.23 C ATOM 546 CD GLU A 36 -17.156 -19.875 -10.546 1.00 22.41 C ATOM 547 OE1 GLU A 36 -18.260 -20.387 -10.819 1.00 52.22 O ATOM 548 OE2 GLU A 36 -16.136 -20.115 -11.231 1.00 4.34 O ATOM 0 H GLU A 36 -17.157 -19.622 -4.916 1.00 1.11 H new ATOM 0 HA GLU A 36 -15.831 -18.099 -6.977 1.00 22.30 H new ATOM 0 HB2 GLU A 36 -15.898 -20.302 -8.101 1.00 41.44 H new ATOM 0 HB3 GLU A 36 -17.628 -20.389 -7.834 1.00 41.44 H new ATOM 0 HG2 GLU A 36 -17.959 -18.358 -9.241 1.00 74.23 H new ATOM 0 HG3 GLU A 36 -16.229 -18.239 -9.490 1.00 74.23 H new ATOM 555 N SER A 37 -17.790 -16.698 -6.149 1.00 30.42 N ATOM 556 CA SER A 37 -18.920 -15.820 -5.832 1.00 22.31 C ATOM 557 C SER A 37 -19.584 -15.317 -7.135 1.00 14.35 C ATOM 558 O SER A 37 -19.029 -14.460 -7.835 1.00 32.44 O ATOM 559 CB SER A 37 -18.442 -14.639 -4.950 1.00 24.33 C ATOM 560 OG SER A 37 -19.524 -13.811 -4.549 1.00 14.11 O ATOM 0 H SER A 37 -16.881 -16.241 -6.081 1.00 30.42 H new ATOM 0 HA SER A 37 -19.667 -16.381 -5.270 1.00 22.31 H new ATOM 0 HB2 SER A 37 -17.934 -15.027 -4.067 1.00 24.33 H new ATOM 0 HB3 SER A 37 -17.714 -14.044 -5.502 1.00 24.33 H new ATOM 0 HG SER A 37 -19.790 -13.236 -5.296 1.00 14.11 H new ATOM 566 N ASP A 38 -20.746 -15.907 -7.468 1.00 71.32 N ATOM 567 CA ASP A 38 -21.634 -15.418 -8.551 1.00 73.31 C ATOM 568 C ASP A 38 -22.361 -14.144 -8.080 1.00 4.31 C ATOM 569 O ASP A 38 -22.751 -13.294 -8.887 1.00 30.12 O ATOM 570 CB ASP A 38 -22.675 -16.514 -8.944 1.00 51.43 C ATOM 571 CG ASP A 38 -23.723 -16.810 -7.840 1.00 52.10 C ATOM 572 OD1 ASP A 38 -24.946 -16.691 -8.097 1.00 41.21 O ATOM 573 OD2 ASP A 38 -23.327 -17.139 -6.698 1.00 72.21 O ATOM 0 H ASP A 38 -21.101 -16.738 -6.996 1.00 71.32 H new ATOM 0 HA ASP A 38 -21.030 -15.189 -9.429 1.00 73.31 H new ATOM 0 HB2 ASP A 38 -23.194 -16.200 -9.849 1.00 51.43 H new ATOM 0 HB3 ASP A 38 -22.145 -17.435 -9.184 1.00 51.43 H new ATOM 578 N SER A 39 -22.543 -14.064 -6.751 1.00 30.32 N ATOM 579 CA SER A 39 -23.193 -12.943 -6.065 1.00 75.25 C ATOM 580 C SER A 39 -22.284 -11.685 -6.095 1.00 2.43 C ATOM 581 O SER A 39 -21.054 -11.820 -6.120 1.00 14.24 O ATOM 582 CB SER A 39 -23.494 -13.371 -4.608 1.00 24.52 C ATOM 583 OG SER A 39 -24.272 -14.558 -4.579 1.00 33.41 O ATOM 0 H SER A 39 -22.234 -14.796 -6.112 1.00 30.32 H new ATOM 0 HA SER A 39 -24.123 -12.686 -6.571 1.00 75.25 H new ATOM 0 HB2 SER A 39 -22.559 -13.531 -4.071 1.00 24.52 H new ATOM 0 HB3 SER A 39 -24.025 -12.571 -4.092 1.00 24.52 H new ATOM 0 HG SER A 39 -24.449 -14.811 -3.649 1.00 33.41 H new ATOM 589 N PRO A 40 -22.873 -10.445 -6.115 1.00 72.51 N ATOM 590 CA PRO A 40 -22.087 -9.184 -6.122 1.00 61.12 C ATOM 591 C PRO A 40 -21.387 -8.917 -4.765 1.00 75.13 C ATOM 592 O PRO A 40 -21.925 -9.263 -3.700 1.00 20.21 O ATOM 593 CB PRO A 40 -23.167 -8.120 -6.426 1.00 35.21 C ATOM 594 CG PRO A 40 -24.436 -8.690 -5.876 1.00 31.03 C ATOM 595 CD PRO A 40 -24.343 -10.175 -6.137 1.00 4.52 C ATOM 0 HA PRO A 40 -21.269 -9.196 -6.843 1.00 61.12 H new ATOM 0 HB2 PRO A 40 -22.926 -7.167 -5.956 1.00 35.21 H new ATOM 0 HB3 PRO A 40 -23.249 -7.935 -7.497 1.00 35.21 H new ATOM 0 HG2 PRO A 40 -24.533 -8.482 -4.810 1.00 31.03 H new ATOM 0 HG3 PRO A 40 -25.308 -8.257 -6.366 1.00 31.03 H new ATOM 0 HD2 PRO A 40 -24.868 -10.750 -5.374 1.00 4.52 H new ATOM 0 HD3 PRO A 40 -24.785 -10.442 -7.097 1.00 4.52 H new ATOM 603 N ILE A 41 -20.175 -8.328 -4.819 1.00 23.43 N ATOM 604 CA ILE A 41 -19.406 -7.950 -3.619 1.00 12.51 C ATOM 605 C ILE A 41 -19.425 -6.405 -3.493 1.00 2.05 C ATOM 606 O ILE A 41 -18.711 -5.721 -4.243 1.00 20.32 O ATOM 607 CB ILE A 41 -17.906 -8.480 -3.637 1.00 63.00 C ATOM 608 CG1 ILE A 41 -17.809 -10.052 -3.804 1.00 55.40 C ATOM 609 CG2 ILE A 41 -17.152 -8.015 -2.355 1.00 22.30 C ATOM 610 CD1 ILE A 41 -18.026 -10.582 -5.223 1.00 22.51 C ATOM 0 H ILE A 41 -19.704 -8.102 -5.695 1.00 23.43 H new ATOM 0 HA ILE A 41 -19.880 -8.421 -2.758 1.00 12.51 H new ATOM 0 HB ILE A 41 -17.427 -8.045 -4.514 1.00 63.00 H new ATOM 0 HG12 ILE A 41 -16.826 -10.376 -3.461 1.00 55.40 H new ATOM 0 HG13 ILE A 41 -18.545 -10.515 -3.146 1.00 55.40 H new ATOM 0 HG21 ILE A 41 -16.127 -8.385 -2.381 1.00 22.30 H new ATOM 0 HG22 ILE A 41 -17.144 -6.926 -2.313 1.00 22.30 H new ATOM 0 HG23 ILE A 41 -17.657 -8.408 -1.473 1.00 22.30 H new ATOM 0 HD11 ILE A 41 -17.938 -11.668 -5.223 1.00 22.51 H new ATOM 0 HD12 ILE A 41 -19.020 -10.299 -5.569 1.00 22.51 H new ATOM 0 HD13 ILE A 41 -17.275 -10.157 -5.889 1.00 22.51 H new ATOM 622 N PRO A 42 -20.274 -5.828 -2.580 1.00 2.52 N ATOM 623 CA PRO A 42 -20.302 -4.373 -2.320 1.00 21.11 C ATOM 624 C PRO A 42 -19.034 -3.917 -1.568 1.00 52.21 C ATOM 625 O PRO A 42 -18.734 -4.416 -0.484 1.00 44.24 O ATOM 626 CB PRO A 42 -21.595 -4.161 -1.468 1.00 13.43 C ATOM 627 CG PRO A 42 -22.340 -5.465 -1.550 1.00 74.30 C ATOM 628 CD PRO A 42 -21.285 -6.525 -1.748 1.00 2.12 C ATOM 0 HA PRO A 42 -20.316 -3.782 -3.236 1.00 21.11 H new ATOM 0 HB2 PRO A 42 -21.350 -3.912 -0.436 1.00 13.43 H new ATOM 0 HB3 PRO A 42 -22.195 -3.340 -1.860 1.00 13.43 H new ATOM 0 HG2 PRO A 42 -22.912 -5.647 -0.640 1.00 74.30 H new ATOM 0 HG3 PRO A 42 -23.050 -5.459 -2.377 1.00 74.30 H new ATOM 0 HD2 PRO A 42 -20.866 -6.862 -0.800 1.00 2.12 H new ATOM 0 HD3 PRO A 42 -21.685 -7.406 -2.250 1.00 2.12 H new ATOM 636 N LEU A 43 -18.283 -3.010 -2.189 1.00 33.12 N ATOM 637 CA LEU A 43 -17.081 -2.385 -1.621 1.00 63.41 C ATOM 638 C LEU A 43 -17.450 -0.980 -1.068 1.00 51.13 C ATOM 639 O LEU A 43 -17.451 0.003 -1.824 1.00 40.32 O ATOM 640 CB LEU A 43 -15.995 -2.303 -2.728 1.00 1.12 C ATOM 641 CG LEU A 43 -15.610 -3.651 -3.426 1.00 53.11 C ATOM 642 CD1 LEU A 43 -14.621 -3.414 -4.584 1.00 3.33 C ATOM 643 CD2 LEU A 43 -15.059 -4.687 -2.409 1.00 22.34 C ATOM 0 H LEU A 43 -18.497 -2.677 -3.129 1.00 33.12 H new ATOM 0 HA LEU A 43 -16.685 -2.975 -0.795 1.00 63.41 H new ATOM 0 HB2 LEU A 43 -16.339 -1.608 -3.494 1.00 1.12 H new ATOM 0 HB3 LEU A 43 -15.093 -1.875 -2.291 1.00 1.12 H new ATOM 0 HG LEU A 43 -16.521 -4.073 -3.850 1.00 53.11 H new ATOM 0 HD11 LEU A 43 -14.371 -4.367 -5.050 1.00 3.33 H new ATOM 0 HD12 LEU A 43 -15.078 -2.757 -5.324 1.00 3.33 H new ATOM 0 HD13 LEU A 43 -13.713 -2.950 -4.198 1.00 3.33 H new ATOM 0 HD21 LEU A 43 -14.803 -5.609 -2.931 1.00 22.34 H new ATOM 0 HD22 LEU A 43 -14.169 -4.285 -1.926 1.00 22.34 H new ATOM 0 HD23 LEU A 43 -15.818 -4.896 -1.655 1.00 22.34 H new ATOM 655 N PRO A 44 -17.793 -0.861 0.261 1.00 10.24 N ATOM 656 CA PRO A 44 -18.348 0.391 0.845 1.00 52.42 C ATOM 657 C PRO A 44 -17.279 1.433 1.256 1.00 35.22 C ATOM 658 O PRO A 44 -17.630 2.517 1.735 1.00 30.52 O ATOM 659 CB PRO A 44 -19.114 -0.145 2.075 1.00 54.51 C ATOM 660 CG PRO A 44 -18.272 -1.292 2.557 1.00 43.13 C ATOM 661 CD PRO A 44 -17.678 -1.929 1.306 1.00 64.20 C ATOM 0 HA PRO A 44 -18.956 0.943 0.128 1.00 52.42 H new ATOM 0 HB2 PRO A 44 -19.222 0.621 2.843 1.00 54.51 H new ATOM 0 HB3 PRO A 44 -20.119 -0.472 1.808 1.00 54.51 H new ATOM 0 HG2 PRO A 44 -17.487 -0.945 3.229 1.00 43.13 H new ATOM 0 HG3 PRO A 44 -18.873 -2.011 3.114 1.00 43.13 H new ATOM 0 HD2 PRO A 44 -16.640 -2.223 1.463 1.00 64.20 H new ATOM 0 HD3 PRO A 44 -18.224 -2.828 1.019 1.00 64.20 H new ATOM 669 N ASN A 45 -15.992 1.103 1.071 1.00 33.11 N ATOM 670 CA ASN A 45 -14.873 2.021 1.395 1.00 75.52 C ATOM 671 C ASN A 45 -14.535 2.906 0.178 1.00 32.01 C ATOM 672 O ASN A 45 -14.266 4.104 0.317 1.00 34.00 O ATOM 673 CB ASN A 45 -13.618 1.222 1.834 1.00 22.41 C ATOM 674 CG ASN A 45 -12.454 2.107 2.309 1.00 43.43 C ATOM 675 OD1 ASN A 45 -12.652 3.153 2.921 1.00 10.13 O ATOM 676 ND2 ASN A 45 -11.233 1.686 2.040 1.00 3.55 N ATOM 0 H ASN A 45 -15.692 0.203 0.697 1.00 33.11 H new ATOM 0 HA ASN A 45 -15.185 2.660 2.221 1.00 75.52 H new ATOM 0 HB2 ASN A 45 -13.896 0.540 2.638 1.00 22.41 H new ATOM 0 HB3 ASN A 45 -13.279 0.609 0.999 1.00 22.41 H new ATOM 0 HD21 ASN A 45 -10.427 2.233 2.342 1.00 3.55 H new ATOM 0 HD22 ASN A 45 -11.095 0.813 1.530 1.00 3.55 H new ATOM 683 N VAL A 46 -14.564 2.301 -1.017 1.00 41.42 N ATOM 684 CA VAL A 46 -14.157 2.971 -2.265 1.00 61.32 C ATOM 685 C VAL A 46 -15.378 3.657 -2.929 1.00 62.32 C ATOM 686 O VAL A 46 -16.470 3.091 -2.979 1.00 41.44 O ATOM 687 CB VAL A 46 -13.469 1.943 -3.245 1.00 5.44 C ATOM 688 CG1 VAL A 46 -14.431 0.807 -3.668 1.00 54.25 C ATOM 689 CG2 VAL A 46 -12.860 2.660 -4.474 1.00 14.44 C ATOM 0 H VAL A 46 -14.869 1.337 -1.149 1.00 41.42 H new ATOM 0 HA VAL A 46 -13.425 3.744 -2.029 1.00 61.32 H new ATOM 0 HB VAL A 46 -12.652 1.475 -2.696 1.00 5.44 H new ATOM 0 HG11 VAL A 46 -13.914 0.124 -4.342 1.00 54.25 H new ATOM 0 HG12 VAL A 46 -14.762 0.262 -2.784 1.00 54.25 H new ATOM 0 HG13 VAL A 46 -15.296 1.233 -4.177 1.00 54.25 H new ATOM 0 HG21 VAL A 46 -12.394 1.925 -5.130 1.00 14.44 H new ATOM 0 HG22 VAL A 46 -13.647 3.183 -5.017 1.00 14.44 H new ATOM 0 HG23 VAL A 46 -12.110 3.378 -4.142 1.00 14.44 H new ATOM 699 N THR A 47 -15.180 4.895 -3.409 1.00 45.43 N ATOM 700 CA THR A 47 -16.215 5.672 -4.117 1.00 24.44 C ATOM 701 C THR A 47 -16.289 5.238 -5.597 1.00 11.42 C ATOM 702 O THR A 47 -15.388 4.549 -6.081 1.00 13.23 O ATOM 703 CB THR A 47 -15.910 7.199 -3.989 1.00 23.10 C ATOM 704 OG1 THR A 47 -14.570 7.466 -4.439 1.00 60.11 O ATOM 705 CG2 THR A 47 -16.067 7.687 -2.537 1.00 61.32 C ATOM 0 H THR A 47 -14.293 5.390 -3.317 1.00 45.43 H new ATOM 0 HA THR A 47 -17.187 5.478 -3.663 1.00 24.44 H new ATOM 0 HB THR A 47 -16.628 7.736 -4.609 1.00 23.10 H new ATOM 0 HG1 THR A 47 -14.383 8.425 -4.359 1.00 60.11 H new ATOM 0 HG21 THR A 47 -15.847 8.753 -2.486 1.00 61.32 H new ATOM 0 HG22 THR A 47 -17.089 7.511 -2.202 1.00 61.32 H new ATOM 0 HG23 THR A 47 -15.376 7.143 -1.893 1.00 61.32 H new ATOM 713 N SER A 48 -17.363 5.641 -6.308 1.00 43.45 N ATOM 714 CA SER A 48 -17.655 5.156 -7.676 1.00 74.31 C ATOM 715 C SER A 48 -16.612 5.632 -8.692 1.00 43.34 C ATOM 716 O SER A 48 -16.150 4.844 -9.513 1.00 53.31 O ATOM 717 CB SER A 48 -19.068 5.590 -8.121 1.00 33.43 C ATOM 718 OG SER A 48 -19.228 6.994 -8.055 1.00 33.44 O ATOM 0 H SER A 48 -18.049 6.308 -5.954 1.00 43.45 H new ATOM 0 HA SER A 48 -17.611 4.067 -7.643 1.00 74.31 H new ATOM 0 HB2 SER A 48 -19.249 5.250 -9.141 1.00 33.43 H new ATOM 0 HB3 SER A 48 -19.813 5.108 -7.488 1.00 33.43 H new ATOM 0 HG SER A 48 -20.133 7.234 -8.345 1.00 33.44 H new ATOM 724 N THR A 49 -16.248 6.922 -8.594 1.00 53.35 N ATOM 725 CA THR A 49 -15.255 7.562 -9.468 1.00 51.43 C ATOM 726 C THR A 49 -13.902 6.824 -9.399 1.00 1.25 C ATOM 727 O THR A 49 -13.255 6.585 -10.425 1.00 0.12 O ATOM 728 CB THR A 49 -15.080 9.064 -9.051 1.00 24.03 C ATOM 729 OG1 THR A 49 -16.361 9.721 -9.082 1.00 52.31 O ATOM 730 CG2 THR A 49 -14.089 9.830 -9.958 1.00 12.42 C ATOM 0 H THR A 49 -16.641 7.555 -7.897 1.00 53.35 H new ATOM 0 HA THR A 49 -15.611 7.512 -10.497 1.00 51.43 H new ATOM 0 HB THR A 49 -14.665 9.071 -8.043 1.00 24.03 H new ATOM 0 HG1 THR A 49 -16.254 10.659 -8.820 1.00 52.31 H new ATOM 0 HG21 THR A 49 -14.010 10.863 -9.620 1.00 12.42 H new ATOM 0 HG22 THR A 49 -13.109 9.356 -9.908 1.00 12.42 H new ATOM 0 HG23 THR A 49 -14.449 9.812 -10.987 1.00 12.42 H new ATOM 738 N ILE A 50 -13.530 6.424 -8.174 1.00 3.41 N ATOM 739 CA ILE A 50 -12.246 5.780 -7.893 1.00 14.04 C ATOM 740 C ILE A 50 -12.276 4.304 -8.306 1.00 53.23 C ATOM 741 O ILE A 50 -11.353 3.834 -8.960 1.00 53.40 O ATOM 742 CB ILE A 50 -11.868 5.949 -6.379 1.00 21.43 C ATOM 743 CG1 ILE A 50 -11.790 7.463 -6.022 1.00 1.34 C ATOM 744 CG2 ILE A 50 -10.543 5.226 -6.025 1.00 24.24 C ATOM 745 CD1 ILE A 50 -10.738 8.247 -6.791 1.00 12.03 C ATOM 0 H ILE A 50 -14.117 6.541 -7.348 1.00 3.41 H new ATOM 0 HA ILE A 50 -11.473 6.269 -8.486 1.00 14.04 H new ATOM 0 HB ILE A 50 -12.650 5.480 -5.782 1.00 21.43 H new ATOM 0 HG12 ILE A 50 -12.765 7.915 -6.204 1.00 1.34 H new ATOM 0 HG13 ILE A 50 -11.588 7.560 -4.955 1.00 1.34 H new ATOM 0 HG21 ILE A 50 -10.321 5.370 -4.968 1.00 24.24 H new ATOM 0 HG22 ILE A 50 -10.643 4.161 -6.233 1.00 24.24 H new ATOM 0 HG23 ILE A 50 -9.732 5.638 -6.625 1.00 24.24 H new ATOM 0 HD11 ILE A 50 -10.758 9.290 -6.475 1.00 12.03 H new ATOM 0 HD12 ILE A 50 -9.752 7.827 -6.591 1.00 12.03 H new ATOM 0 HD13 ILE A 50 -10.948 8.187 -7.859 1.00 12.03 H new ATOM 757 N LEU A 51 -13.371 3.597 -7.975 1.00 22.25 N ATOM 758 CA LEU A 51 -13.516 2.159 -8.290 1.00 5.12 C ATOM 759 C LEU A 51 -13.540 1.954 -9.820 1.00 24.23 C ATOM 760 O LEU A 51 -12.948 1.012 -10.329 1.00 65.40 O ATOM 761 CB LEU A 51 -14.795 1.570 -7.624 1.00 21.41 C ATOM 762 CG LEU A 51 -14.973 0.015 -7.732 1.00 65.40 C ATOM 763 CD1 LEU A 51 -13.742 -0.740 -7.171 1.00 5.35 C ATOM 764 CD2 LEU A 51 -16.273 -0.454 -7.040 1.00 14.24 C ATOM 0 H LEU A 51 -14.173 3.997 -7.488 1.00 22.25 H new ATOM 0 HA LEU A 51 -12.658 1.623 -7.883 1.00 5.12 H new ATOM 0 HB2 LEU A 51 -14.789 1.843 -6.569 1.00 21.41 H new ATOM 0 HB3 LEU A 51 -15.666 2.047 -8.072 1.00 21.41 H new ATOM 0 HG LEU A 51 -15.054 -0.227 -8.792 1.00 65.40 H new ATOM 0 HD11 LEU A 51 -13.901 -1.814 -7.263 1.00 5.35 H new ATOM 0 HD12 LEU A 51 -12.853 -0.456 -7.734 1.00 5.35 H new ATOM 0 HD13 LEU A 51 -13.604 -0.482 -6.121 1.00 5.35 H new ATOM 0 HD21 LEU A 51 -16.365 -1.536 -7.134 1.00 14.24 H new ATOM 0 HD22 LEU A 51 -16.242 -0.182 -5.985 1.00 14.24 H new ATOM 0 HD23 LEU A 51 -17.130 0.025 -7.513 1.00 14.24 H new ATOM 776 N GLU A 52 -14.180 2.905 -10.519 1.00 2.32 N ATOM 777 CA GLU A 52 -14.288 2.931 -11.990 1.00 30.13 C ATOM 778 C GLU A 52 -12.900 2.925 -12.653 1.00 50.53 C ATOM 779 O GLU A 52 -12.576 2.038 -13.456 1.00 10.32 O ATOM 780 CB GLU A 52 -15.045 4.225 -12.403 1.00 40.21 C ATOM 781 CG GLU A 52 -15.227 4.429 -13.921 1.00 44.15 C ATOM 782 CD GLU A 52 -15.817 5.804 -14.269 1.00 41.32 C ATOM 783 OE1 GLU A 52 -15.041 6.762 -14.472 1.00 62.51 O ATOM 784 OE2 GLU A 52 -17.052 5.946 -14.310 1.00 65.31 O ATOM 0 H GLU A 52 -14.647 3.693 -10.071 1.00 2.32 H new ATOM 0 HA GLU A 52 -14.824 2.041 -12.320 1.00 30.13 H new ATOM 0 HB2 GLU A 52 -16.029 4.215 -11.934 1.00 40.21 H new ATOM 0 HB3 GLU A 52 -14.508 5.084 -12.000 1.00 40.21 H new ATOM 0 HG2 GLU A 52 -14.263 4.316 -14.417 1.00 44.15 H new ATOM 0 HG3 GLU A 52 -15.880 3.649 -14.312 1.00 44.15 H new ATOM 791 N LYS A 53 -12.079 3.901 -12.249 1.00 43.21 N ATOM 792 CA LYS A 53 -10.793 4.191 -12.894 1.00 2.22 C ATOM 793 C LYS A 53 -9.705 3.185 -12.474 1.00 14.32 C ATOM 794 O LYS A 53 -8.802 2.899 -13.258 1.00 74.33 O ATOM 795 CB LYS A 53 -10.376 5.649 -12.575 1.00 42.24 C ATOM 796 CG LYS A 53 -10.095 5.942 -11.078 1.00 33.35 C ATOM 797 CD LYS A 53 -9.904 7.443 -10.733 1.00 1.15 C ATOM 798 CE LYS A 53 -8.814 8.150 -11.568 1.00 50.42 C ATOM 799 NZ LYS A 53 -9.326 8.648 -12.874 1.00 45.43 N ATOM 0 H LYS A 53 -12.289 4.515 -11.462 1.00 43.21 H new ATOM 0 HA LYS A 53 -10.910 4.085 -13.973 1.00 2.22 H new ATOM 0 HB2 LYS A 53 -9.481 5.888 -13.150 1.00 42.24 H new ATOM 0 HB3 LYS A 53 -11.164 6.319 -12.918 1.00 42.24 H new ATOM 0 HG2 LYS A 53 -10.921 5.549 -10.484 1.00 33.35 H new ATOM 0 HG3 LYS A 53 -9.200 5.398 -10.778 1.00 33.35 H new ATOM 0 HD2 LYS A 53 -10.852 7.961 -10.879 1.00 1.15 H new ATOM 0 HD3 LYS A 53 -9.652 7.532 -9.676 1.00 1.15 H new ATOM 0 HE2 LYS A 53 -8.410 8.986 -10.998 1.00 50.42 H new ATOM 0 HE3 LYS A 53 -7.991 7.458 -11.745 1.00 50.42 H new ATOM 0 HZ1 LYS A 53 -8.722 8.291 -13.642 1.00 45.43 H new ATOM 0 HZ2 LYS A 53 -10.300 8.313 -13.015 1.00 45.43 H new ATOM 0 HZ3 LYS A 53 -9.313 9.688 -12.878 1.00 45.43 H new ATOM 813 N VAL A 54 -9.799 2.668 -11.228 1.00 72.04 N ATOM 814 CA VAL A 54 -8.852 1.669 -10.683 1.00 41.22 C ATOM 815 C VAL A 54 -9.032 0.321 -11.405 1.00 22.13 C ATOM 816 O VAL A 54 -8.043 -0.307 -11.804 1.00 54.32 O ATOM 817 CB VAL A 54 -9.017 1.511 -9.112 1.00 35.11 C ATOM 818 CG1 VAL A 54 -8.309 0.245 -8.557 1.00 2.23 C ATOM 819 CG2 VAL A 54 -8.494 2.780 -8.388 1.00 34.41 C ATOM 0 H VAL A 54 -10.534 2.932 -10.572 1.00 72.04 H new ATOM 0 HA VAL A 54 -7.837 2.023 -10.863 1.00 41.22 H new ATOM 0 HB VAL A 54 -10.082 1.390 -8.915 1.00 35.11 H new ATOM 0 HG11 VAL A 54 -8.456 0.189 -7.478 1.00 2.23 H new ATOM 0 HG12 VAL A 54 -8.731 -0.643 -9.027 1.00 2.23 H new ATOM 0 HG13 VAL A 54 -7.243 0.299 -8.776 1.00 2.23 H new ATOM 0 HG21 VAL A 54 -8.613 2.659 -7.311 1.00 34.41 H new ATOM 0 HG22 VAL A 54 -7.439 2.924 -8.623 1.00 34.41 H new ATOM 0 HG23 VAL A 54 -9.062 3.649 -8.721 1.00 34.41 H new ATOM 829 N LEU A 55 -10.300 -0.093 -11.590 1.00 13.14 N ATOM 830 CA LEU A 55 -10.641 -1.333 -12.312 1.00 14.33 C ATOM 831 C LEU A 55 -10.236 -1.233 -13.804 1.00 70.41 C ATOM 832 O LEU A 55 -9.795 -2.225 -14.400 1.00 72.41 O ATOM 833 CB LEU A 55 -12.162 -1.652 -12.174 1.00 4.33 C ATOM 834 CG LEU A 55 -12.668 -2.069 -10.750 1.00 12.12 C ATOM 835 CD1 LEU A 55 -14.180 -2.385 -10.770 1.00 11.42 C ATOM 836 CD2 LEU A 55 -11.852 -3.252 -10.171 1.00 52.33 C ATOM 0 H LEU A 55 -11.112 0.419 -11.245 1.00 13.14 H new ATOM 0 HA LEU A 55 -10.078 -2.151 -11.863 1.00 14.33 H new ATOM 0 HB2 LEU A 55 -12.724 -0.773 -12.491 1.00 4.33 H new ATOM 0 HB3 LEU A 55 -12.406 -2.455 -12.870 1.00 4.33 H new ATOM 0 HG LEU A 55 -12.511 -1.218 -10.087 1.00 12.12 H new ATOM 0 HD11 LEU A 55 -14.505 -2.671 -9.770 1.00 11.42 H new ATOM 0 HD12 LEU A 55 -14.732 -1.502 -11.092 1.00 11.42 H new ATOM 0 HD13 LEU A 55 -14.371 -3.205 -11.462 1.00 11.42 H new ATOM 0 HD21 LEU A 55 -12.235 -3.509 -9.183 1.00 52.33 H new ATOM 0 HD22 LEU A 55 -11.943 -4.114 -10.831 1.00 52.33 H new ATOM 0 HD23 LEU A 55 -10.803 -2.966 -10.090 1.00 52.33 H new ATOM 848 N ASP A 56 -10.387 -0.023 -14.389 1.00 52.01 N ATOM 849 CA ASP A 56 -10.053 0.238 -15.808 1.00 13.54 C ATOM 850 C ASP A 56 -8.523 0.332 -16.025 1.00 33.05 C ATOM 851 O ASP A 56 -8.019 -0.037 -17.094 1.00 71.52 O ATOM 852 CB ASP A 56 -10.773 1.519 -16.316 1.00 24.11 C ATOM 853 CG ASP A 56 -10.743 1.688 -17.860 1.00 73.41 C ATOM 854 OD1 ASP A 56 -10.790 0.666 -18.591 1.00 45.35 O ATOM 855 OD2 ASP A 56 -10.721 2.835 -18.347 1.00 12.15 O ATOM 0 H ASP A 56 -10.742 0.796 -13.894 1.00 52.01 H new ATOM 0 HA ASP A 56 -10.411 -0.608 -16.395 1.00 13.54 H new ATOM 0 HB2 ASP A 56 -11.811 1.497 -15.983 1.00 24.11 H new ATOM 0 HB3 ASP A 56 -10.309 2.391 -15.856 1.00 24.11 H new ATOM 860 N TYR A 57 -7.792 0.831 -15.006 1.00 65.35 N ATOM 861 CA TYR A 57 -6.314 0.841 -15.011 1.00 40.10 C ATOM 862 C TYR A 57 -5.803 -0.608 -15.008 1.00 11.14 C ATOM 863 O TYR A 57 -4.918 -0.970 -15.796 1.00 2.21 O ATOM 864 CB TYR A 57 -5.750 1.614 -13.781 1.00 62.31 C ATOM 865 CG TYR A 57 -4.209 1.549 -13.638 1.00 40.04 C ATOM 866 CD1 TYR A 57 -3.587 0.523 -12.902 1.00 51.44 C ATOM 867 CD2 TYR A 57 -3.382 2.484 -14.265 1.00 50.24 C ATOM 868 CE1 TYR A 57 -2.217 0.434 -12.808 1.00 2.42 C ATOM 869 CE2 TYR A 57 -2.005 2.399 -14.160 1.00 10.35 C ATOM 870 CZ TYR A 57 -1.431 1.371 -13.436 1.00 24.41 C ATOM 871 OH TYR A 57 -0.061 1.267 -13.355 1.00 51.04 O ATOM 0 H TYR A 57 -8.204 1.234 -14.165 1.00 65.35 H new ATOM 0 HA TYR A 57 -5.969 1.354 -15.909 1.00 40.10 H new ATOM 0 HB2 TYR A 57 -6.053 2.659 -13.853 1.00 62.31 H new ATOM 0 HB3 TYR A 57 -6.204 1.213 -12.875 1.00 62.31 H new ATOM 0 HD1 TYR A 57 -4.199 -0.211 -12.399 1.00 51.44 H new ATOM 0 HD2 TYR A 57 -3.824 3.285 -14.840 1.00 50.24 H new ATOM 0 HE1 TYR A 57 -1.762 -0.367 -12.244 1.00 2.42 H new ATOM 0 HE2 TYR A 57 -1.379 3.135 -14.643 1.00 10.35 H new ATOM 0 HH TYR A 57 0.351 1.843 -14.032 1.00 51.04 H new ATOM 881 N CYS A 58 -6.379 -1.419 -14.089 1.00 52.11 N ATOM 882 CA CYS A 58 -6.060 -2.846 -13.952 1.00 20.22 C ATOM 883 C CYS A 58 -6.387 -3.601 -15.254 1.00 52.21 C ATOM 884 O CYS A 58 -5.687 -4.539 -15.610 1.00 61.33 O ATOM 885 CB CYS A 58 -6.819 -3.457 -12.752 1.00 32.41 C ATOM 886 SG CYS A 58 -6.337 -2.759 -11.154 1.00 14.05 S ATOM 0 H CYS A 58 -7.080 -1.093 -13.423 1.00 52.11 H new ATOM 0 HA CYS A 58 -4.991 -2.946 -13.764 1.00 20.22 H new ATOM 0 HB2 CYS A 58 -7.889 -3.307 -12.896 1.00 32.41 H new ATOM 0 HB3 CYS A 58 -6.647 -4.533 -12.735 1.00 32.41 H new ATOM 0 HG CYS A 58 -6.912 -1.604 -10.994 1.00 14.05 H new ATOM 892 N ARG A 59 -7.458 -3.156 -15.962 1.00 20.13 N ATOM 893 CA ARG A 59 -7.840 -3.703 -17.280 1.00 53.11 C ATOM 894 C ARG A 59 -6.691 -3.548 -18.281 1.00 2.12 C ATOM 895 O ARG A 59 -6.266 -4.528 -18.892 1.00 54.44 O ATOM 896 CB ARG A 59 -9.134 -3.030 -17.818 1.00 21.41 C ATOM 897 CG ARG A 59 -9.476 -3.356 -19.301 1.00 20.40 C ATOM 898 CD ARG A 59 -10.814 -2.756 -19.751 1.00 13.34 C ATOM 899 NE ARG A 59 -11.953 -3.408 -19.078 1.00 53.35 N ATOM 900 CZ ARG A 59 -12.836 -2.808 -18.277 1.00 5.33 C ATOM 901 NH1 ARG A 59 -12.743 -1.496 -18.016 1.00 74.34 N ATOM 902 NH2 ARG A 59 -13.824 -3.523 -17.759 1.00 43.20 N ATOM 0 H ARG A 59 -8.074 -2.413 -15.633 1.00 20.13 H new ATOM 0 HA ARG A 59 -8.047 -4.766 -17.154 1.00 53.11 H new ATOM 0 HB2 ARG A 59 -9.972 -3.336 -17.192 1.00 21.41 H new ATOM 0 HB3 ARG A 59 -9.035 -1.950 -17.713 1.00 21.41 H new ATOM 0 HG2 ARG A 59 -8.680 -2.979 -19.943 1.00 20.40 H new ATOM 0 HG3 ARG A 59 -9.506 -4.438 -19.432 1.00 20.40 H new ATOM 0 HD2 ARG A 59 -10.826 -1.688 -19.535 1.00 13.34 H new ATOM 0 HD3 ARG A 59 -10.918 -2.864 -20.831 1.00 13.34 H new ATOM 0 HE ARG A 59 -12.077 -4.408 -19.239 1.00 53.35 H new ATOM 0 HH11 ARG A 59 -11.991 -0.945 -18.431 1.00 74.34 H new ATOM 0 HH12 ARG A 59 -13.424 -1.049 -17.402 1.00 74.34 H new ATOM 0 HH21 ARG A 59 -13.901 -4.517 -17.974 1.00 43.20 H new ATOM 0 HH22 ARG A 59 -14.507 -3.079 -17.145 1.00 43.20 H new ATOM 916 N HIS A 60 -6.175 -2.308 -18.404 1.00 32.45 N ATOM 917 CA HIS A 60 -5.062 -1.991 -19.313 1.00 20.53 C ATOM 918 C HIS A 60 -3.791 -2.782 -18.942 1.00 40.11 C ATOM 919 O HIS A 60 -3.086 -3.284 -19.820 1.00 5.01 O ATOM 920 CB HIS A 60 -4.758 -0.472 -19.309 1.00 22.03 C ATOM 921 CG HIS A 60 -3.538 -0.125 -20.121 1.00 5.40 C ATOM 922 ND1 HIS A 60 -2.317 0.161 -19.555 1.00 42.22 N ATOM 923 CD2 HIS A 60 -3.340 -0.107 -21.456 1.00 61.32 C ATOM 924 CE1 HIS A 60 -1.428 0.338 -20.503 1.00 54.40 C ATOM 925 NE2 HIS A 60 -2.021 0.178 -21.666 1.00 23.34 N ATOM 0 H HIS A 60 -6.518 -1.504 -17.878 1.00 32.45 H new ATOM 0 HA HIS A 60 -5.370 -2.285 -20.316 1.00 20.53 H new ATOM 0 HB2 HIS A 60 -5.619 0.068 -19.703 1.00 22.03 H new ATOM 0 HB3 HIS A 60 -4.614 -0.136 -18.282 1.00 22.03 H new ATOM 0 HD1 HIS A 60 -2.132 0.225 -18.554 1.00 42.22 H new ATOM 0 HD2 HIS A 60 -4.086 -0.285 -22.217 1.00 61.32 H new ATOM 0 HE1 HIS A 60 -0.385 0.575 -20.354 1.00 54.40 H new ATOM 934 N HIS A 61 -3.522 -2.879 -17.630 1.00 12.41 N ATOM 935 CA HIS A 61 -2.309 -3.527 -17.100 1.00 70.43 C ATOM 936 C HIS A 61 -2.403 -5.066 -17.249 1.00 25.43 C ATOM 937 O HIS A 61 -1.386 -5.763 -17.254 1.00 13.03 O ATOM 938 CB HIS A 61 -2.101 -3.120 -15.614 1.00 74.22 C ATOM 939 CG HIS A 61 -0.709 -3.372 -15.093 1.00 5.55 C ATOM 940 ND1 HIS A 61 -0.228 -4.622 -14.763 1.00 34.32 N ATOM 941 CD2 HIS A 61 0.315 -2.514 -14.876 1.00 34.31 C ATOM 942 CE1 HIS A 61 1.024 -4.517 -14.369 1.00 1.23 C ATOM 943 NE2 HIS A 61 1.377 -3.251 -14.432 1.00 24.12 N ATOM 0 H HIS A 61 -4.139 -2.511 -16.906 1.00 12.41 H new ATOM 0 HA HIS A 61 -1.446 -3.191 -17.675 1.00 70.43 H new ATOM 0 HB2 HIS A 61 -2.332 -2.060 -15.504 1.00 74.22 H new ATOM 0 HB3 HIS A 61 -2.813 -3.667 -14.996 1.00 74.22 H new ATOM 0 HD2 HIS A 61 0.296 -1.445 -15.026 1.00 34.31 H new ATOM 0 HE1 HIS A 61 1.655 -5.333 -14.048 1.00 1.23 H new ATOM 0 HE2 HIS A 61 2.295 -2.879 -14.189 1.00 24.12 H new ATOM 952 N HIS A 62 -3.647 -5.570 -17.350 1.00 54.53 N ATOM 953 CA HIS A 62 -3.938 -7.000 -17.577 1.00 2.32 C ATOM 954 C HIS A 62 -3.696 -7.360 -19.050 1.00 73.11 C ATOM 955 O HIS A 62 -3.080 -8.384 -19.357 1.00 5.52 O ATOM 956 CB HIS A 62 -5.407 -7.297 -17.192 1.00 11.32 C ATOM 957 CG HIS A 62 -5.788 -8.747 -17.204 1.00 63.21 C ATOM 958 ND1 HIS A 62 -5.693 -9.541 -16.088 1.00 70.41 N ATOM 959 CD2 HIS A 62 -6.296 -9.535 -18.179 1.00 41.43 C ATOM 960 CE1 HIS A 62 -6.127 -10.747 -16.375 1.00 12.30 C ATOM 961 NE2 HIS A 62 -6.497 -10.768 -17.633 1.00 61.03 N ATOM 0 H HIS A 62 -4.485 -4.993 -17.276 1.00 54.53 H new ATOM 0 HA HIS A 62 -3.275 -7.604 -16.957 1.00 2.32 H new ATOM 0 HB2 HIS A 62 -5.593 -6.897 -16.195 1.00 11.32 H new ATOM 0 HB3 HIS A 62 -6.062 -6.760 -17.878 1.00 11.32 H new ATOM 0 HD2 HIS A 62 -6.503 -9.243 -19.198 1.00 41.43 H new ATOM 0 HE1 HIS A 62 -6.172 -11.581 -15.690 1.00 12.30 H new ATOM 0 HE2 HIS A 62 -6.875 -11.578 -18.125 1.00 61.03 H new ATOM 970 N GLN A 63 -4.202 -6.488 -19.941 1.00 62.15 N ATOM 971 CA GLN A 63 -4.117 -6.655 -21.403 1.00 55.52 C ATOM 972 C GLN A 63 -2.667 -6.482 -21.881 1.00 75.23 C ATOM 973 O GLN A 63 -2.211 -7.180 -22.795 1.00 21.51 O ATOM 974 CB GLN A 63 -5.026 -5.599 -22.090 1.00 21.15 C ATOM 975 CG GLN A 63 -6.538 -5.744 -21.787 1.00 64.35 C ATOM 976 CD GLN A 63 -7.357 -4.518 -22.210 1.00 24.54 C ATOM 977 OE1 GLN A 63 -6.867 -3.388 -22.192 1.00 21.13 O ATOM 978 NE2 GLN A 63 -8.606 -4.725 -22.589 1.00 21.34 N ATOM 0 H GLN A 63 -4.688 -5.636 -19.662 1.00 62.15 H new ATOM 0 HA GLN A 63 -4.450 -7.659 -21.667 1.00 55.52 H new ATOM 0 HB2 GLN A 63 -4.702 -4.605 -21.780 1.00 21.15 H new ATOM 0 HB3 GLN A 63 -4.879 -5.661 -23.168 1.00 21.15 H new ATOM 0 HG2 GLN A 63 -6.922 -6.625 -22.301 1.00 64.35 H new ATOM 0 HG3 GLN A 63 -6.674 -5.913 -20.719 1.00 64.35 H new ATOM 0 HE21 GLN A 63 -8.987 -5.671 -22.595 1.00 21.34 H new ATOM 0 HE22 GLN A 63 -9.189 -3.939 -22.876 1.00 21.34 H new ATOM 987 N HIS A 64 -1.955 -5.545 -21.237 1.00 21.25 N ATOM 988 CA HIS A 64 -0.549 -5.240 -21.532 1.00 35.02 C ATOM 989 C HIS A 64 0.279 -5.379 -20.235 1.00 50.43 C ATOM 990 O HIS A 64 0.401 -4.410 -19.473 1.00 51.23 O ATOM 991 CB HIS A 64 -0.410 -3.821 -22.157 1.00 75.31 C ATOM 992 CG HIS A 64 -1.026 -3.693 -23.530 1.00 24.34 C ATOM 993 ND1 HIS A 64 -0.310 -3.882 -24.692 1.00 12.14 N ATOM 994 CD2 HIS A 64 -2.300 -3.426 -23.921 1.00 3.21 C ATOM 995 CE1 HIS A 64 -1.107 -3.724 -25.731 1.00 25.34 C ATOM 996 NE2 HIS A 64 -2.319 -3.451 -25.290 1.00 13.53 N ATOM 0 H HIS A 64 -2.345 -4.972 -20.489 1.00 21.25 H new ATOM 0 HA HIS A 64 -0.166 -5.947 -22.268 1.00 35.02 H new ATOM 0 HB2 HIS A 64 -0.876 -3.095 -21.491 1.00 75.31 H new ATOM 0 HB3 HIS A 64 0.647 -3.564 -22.219 1.00 75.31 H new ATOM 0 HD2 HIS A 64 -3.141 -3.230 -23.272 1.00 3.21 H new ATOM 0 HE1 HIS A 64 -0.816 -3.805 -26.768 1.00 25.34 H new ATOM 0 HE2 HIS A 64 -3.139 -3.285 -25.874 1.00 13.53 H new ATOM 1094 N ILE A 73 5.510 5.480 -20.834 1.00 71.32 N ATOM 1095 CA ILE A 73 4.324 6.118 -20.243 1.00 43.11 C ATOM 1096 C ILE A 73 3.112 5.939 -21.189 1.00 21.54 C ATOM 1097 O ILE A 73 3.098 6.525 -22.280 1.00 0.22 O ATOM 1098 CB ILE A 73 4.597 7.639 -19.938 1.00 61.24 C ATOM 1099 CG1 ILE A 73 5.816 7.798 -18.962 1.00 74.15 C ATOM 1100 CG2 ILE A 73 3.337 8.333 -19.363 1.00 12.31 C ATOM 1101 CD1 ILE A 73 5.617 7.215 -17.565 1.00 12.43 C ATOM 0 HA ILE A 73 4.096 5.635 -19.293 1.00 43.11 H new ATOM 0 HB ILE A 73 4.844 8.129 -20.879 1.00 61.24 H new ATOM 0 HG12 ILE A 73 6.686 7.323 -19.415 1.00 74.15 H new ATOM 0 HG13 ILE A 73 6.046 8.859 -18.865 1.00 74.15 H new ATOM 0 HG21 ILE A 73 3.558 9.381 -19.163 1.00 12.31 H new ATOM 0 HG22 ILE A 73 2.523 8.265 -20.085 1.00 12.31 H new ATOM 0 HG23 ILE A 73 3.042 7.841 -18.436 1.00 12.31 H new ATOM 0 HD11 ILE A 73 6.517 7.378 -16.971 1.00 12.43 H new ATOM 0 HD12 ILE A 73 4.771 7.705 -17.083 1.00 12.43 H new ATOM 0 HD13 ILE A 73 5.421 6.145 -17.642 1.00 12.43 H new ATOM 1113 N PRO A 74 2.088 5.094 -20.808 1.00 22.14 N ATOM 1114 CA PRO A 74 0.876 4.869 -21.634 1.00 41.43 C ATOM 1115 C PRO A 74 -0.107 6.068 -21.533 1.00 22.11 C ATOM 1116 O PRO A 74 -0.099 6.774 -20.519 1.00 61.21 O ATOM 1117 CB PRO A 74 0.276 3.554 -21.043 1.00 2.15 C ATOM 1118 CG PRO A 74 1.277 3.060 -20.029 1.00 0.53 C ATOM 1119 CD PRO A 74 2.008 4.292 -19.559 1.00 2.35 C ATOM 0 HA PRO A 74 1.089 4.782 -22.699 1.00 41.43 H new ATOM 0 HB2 PRO A 74 -0.691 3.741 -20.577 1.00 2.15 H new ATOM 0 HB3 PRO A 74 0.115 2.812 -21.825 1.00 2.15 H new ATOM 0 HG2 PRO A 74 0.781 2.557 -19.199 1.00 0.53 H new ATOM 0 HG3 PRO A 74 1.964 2.340 -20.473 1.00 0.53 H new ATOM 0 HD2 PRO A 74 1.464 4.814 -18.772 1.00 2.35 H new ATOM 0 HD3 PRO A 74 2.995 4.055 -19.161 1.00 2.35 H new ATOM 1127 N PRO A 75 -0.967 6.313 -22.586 1.00 64.35 N ATOM 1128 CA PRO A 75 -1.851 7.509 -22.645 1.00 31.42 C ATOM 1129 C PRO A 75 -2.842 7.591 -21.457 1.00 32.32 C ATOM 1130 O PRO A 75 -2.756 8.526 -20.647 1.00 31.20 O ATOM 1131 CB PRO A 75 -2.580 7.366 -24.018 1.00 43.22 C ATOM 1132 CG PRO A 75 -2.455 5.911 -24.381 1.00 41.30 C ATOM 1133 CD PRO A 75 -1.135 5.452 -23.795 1.00 13.32 C ATOM 0 HA PRO A 75 -1.286 8.437 -22.564 1.00 31.42 H new ATOM 0 HB2 PRO A 75 -3.626 7.664 -23.942 1.00 43.22 H new ATOM 0 HB3 PRO A 75 -2.121 8.002 -24.775 1.00 43.22 H new ATOM 0 HG2 PRO A 75 -3.285 5.334 -23.974 1.00 41.30 H new ATOM 0 HG3 PRO A 75 -2.471 5.775 -25.462 1.00 41.30 H new ATOM 0 HD2 PRO A 75 -1.159 4.394 -23.533 1.00 13.32 H new ATOM 0 HD3 PRO A 75 -0.315 5.587 -24.500 1.00 13.32 H new ATOM 1141 N TYR A 76 -3.725 6.574 -21.332 1.00 12.21 N ATOM 1142 CA TYR A 76 -4.766 6.523 -20.279 1.00 65.01 C ATOM 1143 C TYR A 76 -4.137 6.529 -18.877 1.00 4.14 C ATOM 1144 O TYR A 76 -4.628 7.209 -17.979 1.00 74.33 O ATOM 1145 CB TYR A 76 -5.674 5.263 -20.444 1.00 13.14 C ATOM 1146 CG TYR A 76 -6.676 5.055 -19.284 1.00 74.11 C ATOM 1147 CD1 TYR A 76 -7.839 5.823 -19.198 1.00 42.22 C ATOM 1148 CD2 TYR A 76 -6.436 4.118 -18.261 1.00 13.33 C ATOM 1149 CE1 TYR A 76 -8.722 5.670 -18.147 1.00 32.43 C ATOM 1150 CE2 TYR A 76 -7.322 3.961 -17.212 1.00 12.12 C ATOM 1151 CZ TYR A 76 -8.460 4.739 -17.160 1.00 40.30 C ATOM 1152 OH TYR A 76 -9.347 4.590 -16.116 1.00 21.12 O ATOM 0 H TYR A 76 -3.736 5.767 -21.956 1.00 12.21 H new ATOM 0 HA TYR A 76 -5.382 7.415 -20.390 1.00 65.01 H new ATOM 0 HB2 TYR A 76 -6.228 5.347 -21.379 1.00 13.14 H new ATOM 0 HB3 TYR A 76 -5.041 4.380 -20.527 1.00 13.14 H new ATOM 0 HD1 TYR A 76 -8.052 6.550 -19.968 1.00 42.22 H new ATOM 0 HD2 TYR A 76 -5.543 3.511 -18.297 1.00 13.33 H new ATOM 0 HE1 TYR A 76 -9.614 6.276 -18.097 1.00 32.43 H new ATOM 0 HE2 TYR A 76 -7.125 3.234 -16.438 1.00 12.12 H new ATOM 0 HH TYR A 76 -10.252 4.806 -16.423 1.00 21.12 H new ATOM 1162 N ASP A 77 -3.052 5.755 -18.721 1.00 50.41 N ATOM 1163 CA ASP A 77 -2.388 5.530 -17.425 1.00 33.55 C ATOM 1164 C ASP A 77 -1.710 6.817 -16.912 1.00 54.44 C ATOM 1165 O ASP A 77 -1.573 7.011 -15.697 1.00 50.02 O ATOM 1166 CB ASP A 77 -1.354 4.376 -17.550 1.00 33.21 C ATOM 1167 CG ASP A 77 -1.974 3.013 -17.946 1.00 40.11 C ATOM 1168 OD1 ASP A 77 -1.608 1.972 -17.354 1.00 35.11 O ATOM 1169 OD2 ASP A 77 -2.816 2.971 -18.874 1.00 22.10 O ATOM 0 H ASP A 77 -2.606 5.263 -19.496 1.00 50.41 H new ATOM 0 HA ASP A 77 -3.147 5.246 -16.697 1.00 33.55 H new ATOM 0 HB2 ASP A 77 -0.605 4.652 -18.292 1.00 33.21 H new ATOM 0 HB3 ASP A 77 -0.834 4.264 -16.599 1.00 33.21 H new ATOM 1174 N ARG A 78 -1.289 7.688 -17.855 1.00 42.25 N ATOM 1175 CA ARG A 78 -0.746 9.021 -17.532 1.00 22.44 C ATOM 1176 C ARG A 78 -1.879 9.932 -17.028 1.00 31.21 C ATOM 1177 O ARG A 78 -1.734 10.626 -16.016 1.00 55.01 O ATOM 1178 CB ARG A 78 -0.055 9.665 -18.769 1.00 41.11 C ATOM 1179 CG ARG A 78 0.673 11.000 -18.467 1.00 45.22 C ATOM 1180 CD ARG A 78 1.367 11.615 -19.697 1.00 73.33 C ATOM 1181 NE ARG A 78 2.155 12.812 -19.336 1.00 52.24 N ATOM 1182 CZ ARG A 78 2.544 13.782 -20.184 1.00 65.25 C ATOM 1183 NH1 ARG A 78 2.227 13.739 -21.473 1.00 64.30 N ATOM 1184 NH2 ARG A 78 3.258 14.797 -19.734 1.00 1.11 N ATOM 0 H ARG A 78 -1.317 7.487 -18.855 1.00 42.25 H new ATOM 0 HA ARG A 78 0.006 8.905 -16.751 1.00 22.44 H new ATOM 0 HB2 ARG A 78 0.665 8.956 -19.179 1.00 41.11 H new ATOM 0 HB3 ARG A 78 -0.805 9.840 -19.540 1.00 41.11 H new ATOM 0 HG2 ARG A 78 -0.047 11.716 -18.071 1.00 45.22 H new ATOM 0 HG3 ARG A 78 1.416 10.831 -17.688 1.00 45.22 H new ATOM 0 HD2 ARG A 78 2.021 10.873 -20.155 1.00 73.33 H new ATOM 0 HD3 ARG A 78 0.618 11.883 -20.442 1.00 73.33 H new ATOM 0 HE ARG A 78 2.428 12.912 -18.358 1.00 52.24 H new ATOM 0 HH11 ARG A 78 1.678 12.960 -21.838 1.00 64.30 H new ATOM 0 HH12 ARG A 78 2.532 14.485 -22.098 1.00 64.30 H new ATOM 0 HH21 ARG A 78 3.513 14.844 -18.747 1.00 1.11 H new ATOM 0 HH22 ARG A 78 3.555 15.535 -20.373 1.00 1.11 H new ATOM 1198 N ASP A 79 -3.020 9.893 -17.746 1.00 43.20 N ATOM 1199 CA ASP A 79 -4.226 10.683 -17.408 1.00 2.02 C ATOM 1200 C ASP A 79 -4.891 10.166 -16.113 1.00 74.21 C ATOM 1201 O ASP A 79 -5.615 10.908 -15.447 1.00 14.03 O ATOM 1202 CB ASP A 79 -5.239 10.683 -18.585 1.00 53.13 C ATOM 1203 CG ASP A 79 -4.724 11.445 -19.822 1.00 43.33 C ATOM 1204 OD1 ASP A 79 -4.465 10.827 -20.874 1.00 24.03 O ATOM 1205 OD2 ASP A 79 -4.556 12.681 -19.736 1.00 62.33 O ATOM 0 H ASP A 79 -3.133 9.313 -18.577 1.00 43.20 H new ATOM 0 HA ASP A 79 -3.908 11.711 -17.233 1.00 2.02 H new ATOM 0 HB2 ASP A 79 -5.462 9.654 -18.866 1.00 53.13 H new ATOM 0 HB3 ASP A 79 -6.175 11.132 -18.252 1.00 53.13 H new ATOM 1210 N PHE A 80 -4.633 8.883 -15.786 1.00 65.43 N ATOM 1211 CA PHE A 80 -5.093 8.235 -14.544 1.00 30.13 C ATOM 1212 C PHE A 80 -4.428 8.894 -13.321 1.00 31.41 C ATOM 1213 O PHE A 80 -5.074 9.110 -12.290 1.00 14.35 O ATOM 1214 CB PHE A 80 -4.777 6.704 -14.601 1.00 22.02 C ATOM 1215 CG PHE A 80 -5.100 5.946 -13.315 1.00 72.13 C ATOM 1216 CD1 PHE A 80 -4.107 5.674 -12.365 1.00 63.31 C ATOM 1217 CD2 PHE A 80 -6.398 5.534 -13.044 1.00 20.40 C ATOM 1218 CE1 PHE A 80 -4.413 5.024 -11.190 1.00 12.00 C ATOM 1219 CE2 PHE A 80 -6.696 4.878 -11.869 1.00 14.11 C ATOM 1220 CZ PHE A 80 -5.710 4.626 -10.945 1.00 14.13 C ATOM 0 H PHE A 80 -4.092 8.261 -16.386 1.00 65.43 H new ATOM 0 HA PHE A 80 -6.171 8.362 -14.447 1.00 30.13 H new ATOM 0 HB2 PHE A 80 -5.340 6.259 -15.422 1.00 22.02 H new ATOM 0 HB3 PHE A 80 -3.720 6.572 -14.831 1.00 22.02 H new ATOM 0 HD1 PHE A 80 -3.088 5.978 -12.556 1.00 63.31 H new ATOM 0 HD2 PHE A 80 -7.182 5.729 -13.761 1.00 20.40 H new ATOM 0 HE1 PHE A 80 -3.639 4.827 -10.463 1.00 12.00 H new ATOM 0 HE2 PHE A 80 -7.709 4.560 -11.673 1.00 14.11 H new ATOM 0 HZ PHE A 80 -5.952 4.115 -10.025 1.00 14.13 H new ATOM 1230 N CYS A 81 -3.121 9.195 -13.463 1.00 74.45 N ATOM 1231 CA CYS A 81 -2.319 9.852 -12.418 1.00 20.22 C ATOM 1232 C CYS A 81 -2.744 11.328 -12.240 1.00 65.45 C ATOM 1233 O CYS A 81 -2.541 11.913 -11.170 1.00 11.20 O ATOM 1234 CB CYS A 81 -0.826 9.753 -12.786 1.00 22.33 C ATOM 1235 SG CYS A 81 -0.255 8.060 -13.065 1.00 14.02 S ATOM 0 H CYS A 81 -2.593 8.987 -14.310 1.00 74.45 H new ATOM 0 HA CYS A 81 -2.489 9.346 -11.468 1.00 20.22 H new ATOM 0 HB2 CYS A 81 -0.643 10.341 -13.685 1.00 22.33 H new ATOM 0 HB3 CYS A 81 -0.234 10.199 -11.987 1.00 22.33 H new ATOM 0 HG CYS A 81 -0.790 7.596 -14.155 1.00 14.02 H new ATOM 1241 N LYS A 82 -3.335 11.916 -13.307 1.00 0.25 N ATOM 1242 CA LYS A 82 -3.849 13.297 -13.284 1.00 20.25 C ATOM 1243 C LYS A 82 -5.189 13.340 -12.526 1.00 32.25 C ATOM 1244 O LYS A 82 -6.262 13.184 -13.119 1.00 70.25 O ATOM 1245 CB LYS A 82 -4.020 13.848 -14.726 1.00 24.12 C ATOM 1246 CG LYS A 82 -2.740 13.800 -15.584 1.00 72.01 C ATOM 1247 CD LYS A 82 -2.991 14.265 -17.040 1.00 63.10 C ATOM 1248 CE LYS A 82 -1.794 14.009 -17.960 1.00 23.24 C ATOM 1249 NZ LYS A 82 -2.091 14.369 -19.367 1.00 34.25 N ATOM 0 H LYS A 82 -3.466 11.445 -14.202 1.00 0.25 H new ATOM 0 HA LYS A 82 -3.128 13.930 -12.768 1.00 20.25 H new ATOM 0 HB2 LYS A 82 -4.801 13.278 -15.229 1.00 24.12 H new ATOM 0 HB3 LYS A 82 -4.365 14.880 -14.669 1.00 24.12 H new ATOM 0 HG2 LYS A 82 -1.977 14.432 -15.130 1.00 72.01 H new ATOM 0 HG3 LYS A 82 -2.349 12.783 -15.592 1.00 72.01 H new ATOM 0 HD2 LYS A 82 -3.865 13.748 -17.436 1.00 63.10 H new ATOM 0 HD3 LYS A 82 -3.223 15.330 -17.041 1.00 63.10 H new ATOM 0 HE2 LYS A 82 -0.938 14.586 -17.611 1.00 23.24 H new ATOM 0 HE3 LYS A 82 -1.513 12.957 -17.906 1.00 23.24 H new ATOM 0 HZ1 LYS A 82 -1.280 14.118 -19.968 1.00 34.25 H new ATOM 0 HZ2 LYS A 82 -2.934 13.850 -19.688 1.00 34.25 H new ATOM 0 HZ3 LYS A 82 -2.268 15.392 -19.434 1.00 34.25 H new ATOM 1263 N VAL A 83 -5.106 13.478 -11.202 1.00 63.31 N ATOM 1264 CA VAL A 83 -6.278 13.535 -10.305 1.00 31.34 C ATOM 1265 C VAL A 83 -6.143 14.705 -9.324 1.00 72.43 C ATOM 1266 O VAL A 83 -5.041 15.232 -9.109 1.00 10.22 O ATOM 1267 CB VAL A 83 -6.468 12.187 -9.502 1.00 0.33 C ATOM 1268 CG1 VAL A 83 -6.974 11.046 -10.411 1.00 4.52 C ATOM 1269 CG2 VAL A 83 -5.156 11.785 -8.787 1.00 34.22 C ATOM 0 H VAL A 83 -4.216 13.555 -10.709 1.00 63.31 H new ATOM 0 HA VAL A 83 -7.158 13.683 -10.930 1.00 31.34 H new ATOM 0 HB VAL A 83 -7.232 12.361 -8.745 1.00 0.33 H new ATOM 0 HG11 VAL A 83 -7.092 10.137 -9.822 1.00 4.52 H new ATOM 0 HG12 VAL A 83 -7.935 11.325 -10.844 1.00 4.52 H new ATOM 0 HG13 VAL A 83 -6.253 10.870 -11.210 1.00 4.52 H new ATOM 0 HG21 VAL A 83 -5.310 10.855 -8.241 1.00 34.22 H new ATOM 0 HG22 VAL A 83 -4.367 11.646 -9.526 1.00 34.22 H new ATOM 0 HG23 VAL A 83 -4.866 12.571 -8.090 1.00 34.22 H new ATOM 1279 N ASP A 84 -7.279 15.075 -8.712 1.00 64.30 N ATOM 1280 CA ASP A 84 -7.363 16.161 -7.715 1.00 12.24 C ATOM 1281 C ASP A 84 -6.634 15.716 -6.417 1.00 4.45 C ATOM 1282 O ASP A 84 -6.427 14.514 -6.215 1.00 3.23 O ATOM 1283 CB ASP A 84 -8.872 16.488 -7.436 1.00 42.35 C ATOM 1284 CG ASP A 84 -9.154 17.957 -7.061 1.00 12.21 C ATOM 1285 OD1 ASP A 84 -8.450 18.514 -6.204 1.00 53.25 O ATOM 1286 OD2 ASP A 84 -10.107 18.558 -7.610 1.00 3.40 O ATOM 0 H ASP A 84 -8.176 14.626 -8.895 1.00 64.30 H new ATOM 0 HA ASP A 84 -6.880 17.063 -8.090 1.00 12.24 H new ATOM 0 HB2 ASP A 84 -9.454 16.235 -8.322 1.00 42.35 H new ATOM 0 HB3 ASP A 84 -9.225 15.847 -6.629 1.00 42.35 H new ATOM 1291 N GLN A 85 -6.262 16.680 -5.552 1.00 52.21 N ATOM 1292 CA GLN A 85 -5.505 16.410 -4.302 1.00 24.13 C ATOM 1293 C GLN A 85 -6.247 15.408 -3.345 1.00 23.50 C ATOM 1294 O GLN A 85 -5.601 14.463 -2.868 1.00 63.14 O ATOM 1295 CB GLN A 85 -5.146 17.750 -3.583 1.00 11.01 C ATOM 1296 CG GLN A 85 -4.231 17.625 -2.343 1.00 72.13 C ATOM 1297 CD GLN A 85 -2.868 16.984 -2.634 1.00 1.34 C ATOM 1298 OE1 GLN A 85 -2.331 17.072 -3.740 1.00 41.41 O ATOM 1299 NE2 GLN A 85 -2.280 16.369 -1.625 1.00 50.32 N ATOM 0 H GLN A 85 -6.475 17.667 -5.695 1.00 52.21 H new ATOM 0 HA GLN A 85 -4.576 15.914 -4.584 1.00 24.13 H new ATOM 0 HB2 GLN A 85 -4.661 18.408 -4.304 1.00 11.01 H new ATOM 0 HB3 GLN A 85 -6.073 18.237 -3.279 1.00 11.01 H new ATOM 0 HG2 GLN A 85 -4.071 18.617 -1.921 1.00 72.13 H new ATOM 0 HG3 GLN A 85 -4.744 17.034 -1.584 1.00 72.13 H new ATOM 0 HE21 GLN A 85 -2.748 16.311 -0.720 1.00 50.32 H new ATOM 0 HE22 GLN A 85 -1.358 15.952 -1.750 1.00 50.32 H new ATOM 1308 N PRO A 86 -7.597 15.580 -3.028 1.00 44.30 N ATOM 1309 CA PRO A 86 -8.352 14.563 -2.244 1.00 52.45 C ATOM 1310 C PRO A 86 -8.481 13.228 -3.006 1.00 62.25 C ATOM 1311 O PRO A 86 -8.323 12.163 -2.419 1.00 33.24 O ATOM 1312 CB PRO A 86 -9.743 15.228 -2.017 1.00 72.41 C ATOM 1313 CG PRO A 86 -9.873 16.242 -3.114 1.00 13.42 C ATOM 1314 CD PRO A 86 -8.471 16.761 -3.344 1.00 1.02 C ATOM 0 HA PRO A 86 -7.851 14.303 -1.311 1.00 52.45 H new ATOM 0 HB2 PRO A 86 -10.545 14.491 -2.064 1.00 72.41 H new ATOM 0 HB3 PRO A 86 -9.800 15.699 -1.036 1.00 72.41 H new ATOM 0 HG2 PRO A 86 -10.280 15.792 -4.020 1.00 13.42 H new ATOM 0 HG3 PRO A 86 -10.549 17.048 -2.827 1.00 13.42 H new ATOM 0 HD2 PRO A 86 -8.332 17.098 -4.371 1.00 1.02 H new ATOM 0 HD3 PRO A 86 -8.247 17.609 -2.697 1.00 1.02 H new ATOM 1322 N THR A 87 -8.721 13.329 -4.334 1.00 55.41 N ATOM 1323 CA THR A 87 -8.934 12.183 -5.238 1.00 63.23 C ATOM 1324 C THR A 87 -7.674 11.280 -5.319 1.00 1.12 C ATOM 1325 O THR A 87 -7.773 10.066 -5.523 1.00 51.22 O ATOM 1326 CB THR A 87 -9.334 12.709 -6.659 1.00 4.25 C ATOM 1327 OG1 THR A 87 -10.375 13.694 -6.535 1.00 3.01 O ATOM 1328 CG2 THR A 87 -9.819 11.587 -7.595 1.00 52.23 C ATOM 0 H THR A 87 -8.772 14.228 -4.813 1.00 55.41 H new ATOM 0 HA THR A 87 -9.743 11.571 -4.839 1.00 63.23 H new ATOM 0 HB THR A 87 -8.437 13.144 -7.100 1.00 4.25 H new ATOM 0 HG1 THR A 87 -10.622 14.023 -7.425 1.00 3.01 H new ATOM 0 HG21 THR A 87 -10.082 12.010 -8.564 1.00 52.23 H new ATOM 0 HG22 THR A 87 -9.025 10.852 -7.724 1.00 52.23 H new ATOM 0 HG23 THR A 87 -10.694 11.104 -7.161 1.00 52.23 H new ATOM 1336 N LEU A 88 -6.495 11.904 -5.142 1.00 72.34 N ATOM 1337 CA LEU A 88 -5.192 11.222 -5.155 1.00 25.02 C ATOM 1338 C LEU A 88 -5.084 10.295 -3.925 1.00 0.11 C ATOM 1339 O LEU A 88 -4.665 9.137 -4.033 1.00 34.44 O ATOM 1340 CB LEU A 88 -4.040 12.286 -5.182 1.00 61.52 C ATOM 1341 CG LEU A 88 -2.742 11.908 -5.974 1.00 3.41 C ATOM 1342 CD1 LEU A 88 -1.770 13.098 -6.040 1.00 24.33 C ATOM 1343 CD2 LEU A 88 -2.047 10.655 -5.404 1.00 30.55 C ATOM 0 H LEU A 88 -6.422 12.909 -4.984 1.00 72.34 H new ATOM 0 HA LEU A 88 -5.099 10.607 -6.050 1.00 25.02 H new ATOM 0 HB2 LEU A 88 -4.439 13.207 -5.606 1.00 61.52 H new ATOM 0 HB3 LEU A 88 -3.757 12.505 -4.152 1.00 61.52 H new ATOM 0 HG LEU A 88 -3.052 11.661 -6.989 1.00 3.41 H new ATOM 0 HD11 LEU A 88 -0.878 12.809 -6.595 1.00 24.33 H new ATOM 0 HD12 LEU A 88 -2.254 13.936 -6.542 1.00 24.33 H new ATOM 0 HD13 LEU A 88 -1.489 13.394 -5.030 1.00 24.33 H new ATOM 0 HD21 LEU A 88 -1.154 10.437 -5.989 1.00 30.55 H new ATOM 0 HD22 LEU A 88 -1.766 10.835 -4.366 1.00 30.55 H new ATOM 0 HD23 LEU A 88 -2.729 9.806 -5.453 1.00 30.55 H new ATOM 1355 N PHE A 89 -5.485 10.828 -2.762 1.00 2.22 N ATOM 1356 CA PHE A 89 -5.482 10.080 -1.495 1.00 14.41 C ATOM 1357 C PHE A 89 -6.583 9.003 -1.489 1.00 14.22 C ATOM 1358 O PHE A 89 -6.417 7.964 -0.857 1.00 0.22 O ATOM 1359 CB PHE A 89 -5.599 11.052 -0.292 1.00 60.13 C ATOM 1360 CG PHE A 89 -4.399 12.004 -0.152 1.00 54.22 C ATOM 1361 CD1 PHE A 89 -3.095 11.560 -0.411 1.00 72.53 C ATOM 1362 CD2 PHE A 89 -4.564 13.329 0.252 1.00 72.42 C ATOM 1363 CE1 PHE A 89 -2.010 12.405 -0.274 1.00 71.14 C ATOM 1364 CE2 PHE A 89 -3.478 14.172 0.388 1.00 52.44 C ATOM 1365 CZ PHE A 89 -2.202 13.709 0.126 1.00 53.42 C ATOM 0 H PHE A 89 -5.820 11.787 -2.672 1.00 2.22 H new ATOM 0 HA PHE A 89 -4.531 9.557 -1.397 1.00 14.41 H new ATOM 0 HB2 PHE A 89 -6.510 11.642 -0.399 1.00 60.13 H new ATOM 0 HB3 PHE A 89 -5.701 10.472 0.625 1.00 60.13 H new ATOM 0 HD1 PHE A 89 -2.935 10.539 -0.723 1.00 72.53 H new ATOM 0 HD2 PHE A 89 -5.556 13.701 0.462 1.00 72.42 H new ATOM 0 HE1 PHE A 89 -1.013 12.044 -0.480 1.00 71.14 H new ATOM 0 HE2 PHE A 89 -3.626 15.195 0.700 1.00 52.44 H new ATOM 0 HZ PHE A 89 -1.355 14.370 0.235 1.00 53.42 H new ATOM 1375 N GLU A 90 -7.692 9.266 -2.211 1.00 72.24 N ATOM 1376 CA GLU A 90 -8.762 8.273 -2.453 1.00 44.04 C ATOM 1377 C GLU A 90 -8.210 7.041 -3.211 1.00 74.33 C ATOM 1378 O GLU A 90 -8.621 5.906 -2.941 1.00 74.44 O ATOM 1379 CB GLU A 90 -9.913 8.912 -3.271 1.00 62.31 C ATOM 1380 CG GLU A 90 -10.741 9.982 -2.540 1.00 61.15 C ATOM 1381 CD GLU A 90 -11.670 9.400 -1.464 1.00 42.41 C ATOM 1382 OE1 GLU A 90 -12.776 8.913 -1.816 1.00 33.11 O ATOM 1383 OE2 GLU A 90 -11.303 9.418 -0.268 1.00 12.53 O ATOM 0 H GLU A 90 -7.872 10.172 -2.643 1.00 72.24 H new ATOM 0 HA GLU A 90 -9.144 7.947 -1.486 1.00 44.04 H new ATOM 0 HB2 GLU A 90 -9.489 9.359 -4.170 1.00 62.31 H new ATOM 0 HB3 GLU A 90 -10.586 8.119 -3.596 1.00 62.31 H new ATOM 0 HG2 GLU A 90 -10.065 10.701 -2.077 1.00 61.15 H new ATOM 0 HG3 GLU A 90 -11.339 10.530 -3.269 1.00 61.15 H new ATOM 1390 N LEU A 91 -7.296 7.293 -4.181 1.00 55.32 N ATOM 1391 CA LEU A 91 -6.600 6.229 -4.936 1.00 55.32 C ATOM 1392 C LEU A 91 -5.696 5.389 -4.004 1.00 65.12 C ATOM 1393 O LEU A 91 -5.604 4.175 -4.174 1.00 51.21 O ATOM 1394 CB LEU A 91 -5.747 6.821 -6.098 1.00 15.21 C ATOM 1395 CG LEU A 91 -6.517 7.455 -7.299 1.00 32.03 C ATOM 1396 CD1 LEU A 91 -5.531 8.045 -8.336 1.00 12.42 C ATOM 1397 CD2 LEU A 91 -7.460 6.426 -7.956 1.00 53.14 C ATOM 0 H LEU A 91 -7.024 8.236 -4.458 1.00 55.32 H new ATOM 0 HA LEU A 91 -7.368 5.583 -5.363 1.00 55.32 H new ATOM 0 HB2 LEU A 91 -5.089 7.582 -5.679 1.00 15.21 H new ATOM 0 HB3 LEU A 91 -5.109 6.027 -6.487 1.00 15.21 H new ATOM 0 HG LEU A 91 -7.129 8.271 -6.914 1.00 32.03 H new ATOM 0 HD11 LEU A 91 -6.091 8.481 -9.163 1.00 12.42 H new ATOM 0 HD12 LEU A 91 -4.923 8.816 -7.863 1.00 12.42 H new ATOM 0 HD13 LEU A 91 -4.883 7.254 -8.713 1.00 12.42 H new ATOM 0 HD21 LEU A 91 -7.984 6.893 -8.790 1.00 53.14 H new ATOM 0 HD22 LEU A 91 -6.878 5.580 -8.322 1.00 53.14 H new ATOM 0 HD23 LEU A 91 -8.185 6.076 -7.221 1.00 53.14 H new ATOM 1409 N ILE A 92 -5.032 6.059 -3.032 1.00 50.11 N ATOM 1410 CA ILE A 92 -4.155 5.391 -2.040 1.00 45.25 C ATOM 1411 C ILE A 92 -4.999 4.497 -1.096 1.00 42.50 C ATOM 1412 O ILE A 92 -4.612 3.361 -0.794 1.00 4.41 O ATOM 1413 CB ILE A 92 -3.312 6.436 -1.193 1.00 51.02 C ATOM 1414 CG1 ILE A 92 -2.467 7.363 -2.132 1.00 65.11 C ATOM 1415 CG2 ILE A 92 -2.395 5.725 -0.166 1.00 72.13 C ATOM 1416 CD1 ILE A 92 -1.543 8.348 -1.427 1.00 24.14 C ATOM 0 H ILE A 92 -5.088 7.071 -2.914 1.00 50.11 H new ATOM 0 HA ILE A 92 -3.449 4.770 -2.593 1.00 45.25 H new ATOM 0 HB ILE A 92 -4.018 7.055 -0.640 1.00 51.02 H new ATOM 0 HG12 ILE A 92 -1.865 6.734 -2.788 1.00 65.11 H new ATOM 0 HG13 ILE A 92 -3.150 7.925 -2.768 1.00 65.11 H new ATOM 0 HG21 ILE A 92 -1.832 6.470 0.396 1.00 72.13 H new ATOM 0 HG22 ILE A 92 -3.005 5.137 0.520 1.00 72.13 H new ATOM 0 HG23 ILE A 92 -1.702 5.067 -0.691 1.00 72.13 H new ATOM 0 HD11 ILE A 92 -1.007 8.939 -2.169 1.00 24.14 H new ATOM 0 HD12 ILE A 92 -2.133 9.010 -0.793 1.00 24.14 H new ATOM 0 HD13 ILE A 92 -0.828 7.800 -0.813 1.00 24.14 H new ATOM 1428 N LEU A 93 -6.176 5.021 -0.680 1.00 23.30 N ATOM 1429 CA LEU A 93 -7.134 4.301 0.190 1.00 23.01 C ATOM 1430 C LEU A 93 -7.686 3.047 -0.521 1.00 64.54 C ATOM 1431 O LEU A 93 -7.838 1.996 0.099 1.00 73.25 O ATOM 1432 CB LEU A 93 -8.303 5.242 0.622 1.00 54.15 C ATOM 1433 CG LEU A 93 -7.924 6.452 1.539 1.00 61.14 C ATOM 1434 CD1 LEU A 93 -9.147 7.359 1.803 1.00 64.00 C ATOM 1435 CD2 LEU A 93 -7.279 5.977 2.864 1.00 72.22 C ATOM 0 H LEU A 93 -6.488 5.957 -0.939 1.00 23.30 H new ATOM 0 HA LEU A 93 -6.601 3.980 1.085 1.00 23.01 H new ATOM 0 HB2 LEU A 93 -8.777 5.632 -0.279 1.00 54.15 H new ATOM 0 HB3 LEU A 93 -9.050 4.642 1.141 1.00 54.15 H new ATOM 0 HG LEU A 93 -7.180 7.046 1.008 1.00 61.14 H new ATOM 0 HD11 LEU A 93 -8.852 8.191 2.443 1.00 64.00 H new ATOM 0 HD12 LEU A 93 -9.524 7.746 0.856 1.00 64.00 H new ATOM 0 HD13 LEU A 93 -9.929 6.781 2.296 1.00 64.00 H new ATOM 0 HD21 LEU A 93 -7.028 6.842 3.477 1.00 72.22 H new ATOM 0 HD22 LEU A 93 -7.981 5.342 3.403 1.00 72.22 H new ATOM 0 HD23 LEU A 93 -6.373 5.412 2.646 1.00 72.22 H new ATOM 1447 N ALA A 94 -7.959 3.181 -1.837 1.00 2.42 N ATOM 1448 CA ALA A 94 -8.499 2.090 -2.673 1.00 42.02 C ATOM 1449 C ALA A 94 -7.422 1.046 -3.007 1.00 43.01 C ATOM 1450 O ALA A 94 -7.716 -0.144 -3.095 1.00 3.40 O ATOM 1451 CB ALA A 94 -9.100 2.659 -3.963 1.00 21.31 C ATOM 0 H ALA A 94 -7.810 4.051 -2.349 1.00 2.42 H new ATOM 0 HA ALA A 94 -9.281 1.591 -2.101 1.00 42.02 H new ATOM 0 HB1 ALA A 94 -9.495 1.845 -4.571 1.00 21.31 H new ATOM 0 HB2 ALA A 94 -9.906 3.350 -3.715 1.00 21.31 H new ATOM 0 HB3 ALA A 94 -8.328 3.187 -4.522 1.00 21.31 H new ATOM 1457 N ALA A 95 -6.179 1.516 -3.195 1.00 52.04 N ATOM 1458 CA ALA A 95 -5.033 0.656 -3.540 1.00 44.44 C ATOM 1459 C ALA A 95 -4.593 -0.194 -2.338 1.00 72.12 C ATOM 1460 O ALA A 95 -4.032 -1.274 -2.513 1.00 75.32 O ATOM 1461 CB ALA A 95 -3.870 1.508 -4.046 1.00 3.41 C ATOM 0 H ALA A 95 -5.939 2.504 -3.112 1.00 52.04 H new ATOM 0 HA ALA A 95 -5.345 -0.024 -4.333 1.00 44.44 H new ATOM 0 HB1 ALA A 95 -3.029 0.862 -4.298 1.00 3.41 H new ATOM 0 HB2 ALA A 95 -4.182 2.060 -4.933 1.00 3.41 H new ATOM 0 HB3 ALA A 95 -3.568 2.210 -3.269 1.00 3.41 H new ATOM 1467 N ASN A 96 -4.819 0.346 -1.126 1.00 73.53 N ATOM 1468 CA ASN A 96 -4.613 -0.370 0.148 1.00 20.11 C ATOM 1469 C ASN A 96 -5.767 -1.367 0.374 1.00 70.40 C ATOM 1470 O ASN A 96 -5.536 -2.551 0.626 1.00 44.31 O ATOM 1471 CB ASN A 96 -4.518 0.661 1.317 1.00 32.32 C ATOM 1472 CG ASN A 96 -4.373 0.043 2.723 1.00 72.52 C ATOM 1473 OD1 ASN A 96 -3.848 -1.059 2.895 1.00 25.10 O ATOM 1474 ND2 ASN A 96 -4.802 0.772 3.743 1.00 25.33 N ATOM 0 H ASN A 96 -5.153 1.302 -1.002 1.00 73.53 H new ATOM 0 HA ASN A 96 -3.680 -0.932 0.112 1.00 20.11 H new ATOM 0 HB2 ASN A 96 -3.666 1.316 1.135 1.00 32.32 H new ATOM 0 HB3 ASN A 96 -5.410 1.287 1.302 1.00 32.32 H new ATOM 0 HD21 ASN A 96 -4.701 0.424 4.697 1.00 25.33 H new ATOM 0 HD22 ASN A 96 -5.233 1.681 3.575 1.00 25.33 H new ATOM 1481 N TYR A 97 -7.006 -0.869 0.220 1.00 0.54 N ATOM 1482 CA TYR A 97 -8.254 -1.632 0.465 1.00 41.11 C ATOM 1483 C TYR A 97 -8.364 -2.876 -0.440 1.00 55.02 C ATOM 1484 O TYR A 97 -8.799 -3.944 0.005 1.00 35.53 O ATOM 1485 CB TYR A 97 -9.466 -0.692 0.238 1.00 62.24 C ATOM 1486 CG TYR A 97 -10.851 -1.339 0.413 1.00 42.30 C ATOM 1487 CD1 TYR A 97 -11.729 -1.482 -0.666 1.00 42.44 C ATOM 1488 CD2 TYR A 97 -11.281 -1.798 1.663 1.00 11.25 C ATOM 1489 CE1 TYR A 97 -12.973 -2.054 -0.504 1.00 70.23 C ATOM 1490 CE2 TYR A 97 -12.527 -2.374 1.825 1.00 33.02 C ATOM 1491 CZ TYR A 97 -13.368 -2.499 0.741 1.00 24.42 C ATOM 1492 OH TYR A 97 -14.612 -3.066 0.904 1.00 14.52 O ATOM 0 H TYR A 97 -7.177 0.090 -0.083 1.00 0.54 H new ATOM 0 HA TYR A 97 -8.241 -1.992 1.494 1.00 41.11 H new ATOM 0 HB2 TYR A 97 -9.387 0.147 0.929 1.00 62.24 H new ATOM 0 HB3 TYR A 97 -9.401 -0.282 -0.770 1.00 62.24 H new ATOM 0 HD1 TYR A 97 -11.427 -1.138 -1.644 1.00 42.44 H new ATOM 0 HD2 TYR A 97 -10.627 -1.700 2.517 1.00 11.25 H new ATOM 0 HE1 TYR A 97 -13.637 -2.154 -1.350 1.00 70.23 H new ATOM 0 HE2 TYR A 97 -12.840 -2.725 2.797 1.00 33.02 H new ATOM 0 HH TYR A 97 -14.790 -3.195 1.859 1.00 14.52 H new ATOM 1502 N LEU A 98 -7.979 -2.710 -1.710 1.00 71.13 N ATOM 1503 CA LEU A 98 -8.041 -3.771 -2.733 1.00 74.33 C ATOM 1504 C LEU A 98 -6.688 -4.510 -2.853 1.00 13.53 C ATOM 1505 O LEU A 98 -6.617 -5.584 -3.475 1.00 13.24 O ATOM 1506 CB LEU A 98 -8.468 -3.159 -4.100 1.00 75.44 C ATOM 1507 CG LEU A 98 -9.883 -2.501 -4.142 1.00 33.33 C ATOM 1508 CD1 LEU A 98 -10.202 -1.943 -5.548 1.00 12.15 C ATOM 1509 CD2 LEU A 98 -10.964 -3.497 -3.662 1.00 63.42 C ATOM 0 H LEU A 98 -7.611 -1.827 -2.065 1.00 71.13 H new ATOM 0 HA LEU A 98 -8.786 -4.506 -2.429 1.00 74.33 H new ATOM 0 HB2 LEU A 98 -7.731 -2.408 -4.386 1.00 75.44 H new ATOM 0 HB3 LEU A 98 -8.432 -3.945 -4.855 1.00 75.44 H new ATOM 0 HG LEU A 98 -9.884 -1.655 -3.455 1.00 33.33 H new ATOM 0 HD11 LEU A 98 -11.194 -1.492 -5.544 1.00 12.15 H new ATOM 0 HD12 LEU A 98 -9.462 -1.190 -5.817 1.00 12.15 H new ATOM 0 HD13 LEU A 98 -10.175 -2.754 -6.276 1.00 12.15 H new ATOM 0 HD21 LEU A 98 -11.942 -3.018 -3.699 1.00 63.42 H new ATOM 0 HD22 LEU A 98 -10.964 -4.374 -4.310 1.00 63.42 H new ATOM 0 HD23 LEU A 98 -10.748 -3.802 -2.638 1.00 63.42 H new ATOM 1521 N ASP A 99 -5.650 -3.918 -2.230 1.00 2.12 N ATOM 1522 CA ASP A 99 -4.262 -4.416 -2.230 1.00 30.25 C ATOM 1523 C ASP A 99 -3.780 -4.728 -3.663 1.00 52.54 C ATOM 1524 O ASP A 99 -3.753 -5.882 -4.097 1.00 13.32 O ATOM 1525 CB ASP A 99 -4.069 -5.625 -1.267 1.00 11.25 C ATOM 1526 CG ASP A 99 -2.583 -6.009 -1.068 1.00 55.43 C ATOM 1527 OD1 ASP A 99 -2.213 -7.198 -1.231 1.00 0.42 O ATOM 1528 OD2 ASP A 99 -1.767 -5.119 -0.741 1.00 30.22 O ATOM 0 H ASP A 99 -5.758 -3.055 -1.698 1.00 2.12 H new ATOM 0 HA ASP A 99 -3.631 -3.616 -1.843 1.00 30.25 H new ATOM 0 HB2 ASP A 99 -4.509 -5.385 -0.299 1.00 11.25 H new ATOM 0 HB3 ASP A 99 -4.611 -6.485 -1.660 1.00 11.25 H new ATOM 1533 N ILE A 100 -3.506 -3.664 -4.428 1.00 72.11 N ATOM 1534 CA ILE A 100 -3.028 -3.771 -5.816 1.00 44.44 C ATOM 1535 C ILE A 100 -1.647 -3.105 -5.901 1.00 13.51 C ATOM 1536 O ILE A 100 -1.550 -1.883 -5.789 1.00 1.34 O ATOM 1537 CB ILE A 100 -4.026 -3.078 -6.822 1.00 14.44 C ATOM 1538 CG1 ILE A 100 -5.495 -3.551 -6.569 1.00 22.30 C ATOM 1539 CG2 ILE A 100 -3.599 -3.335 -8.291 1.00 55.43 C ATOM 1540 CD1 ILE A 100 -6.546 -2.879 -7.443 1.00 0.41 C ATOM 0 H ILE A 100 -3.609 -2.703 -4.103 1.00 72.11 H new ATOM 0 HA ILE A 100 -2.963 -4.823 -6.094 1.00 44.44 H new ATOM 0 HB ILE A 100 -3.989 -2.003 -6.647 1.00 14.44 H new ATOM 0 HG12 ILE A 100 -5.547 -4.628 -6.728 1.00 22.30 H new ATOM 0 HG13 ILE A 100 -5.744 -3.371 -5.523 1.00 22.30 H new ATOM 0 HG21 ILE A 100 -4.303 -2.847 -8.965 1.00 55.43 H new ATOM 0 HG22 ILE A 100 -2.600 -2.932 -8.455 1.00 55.43 H new ATOM 0 HG23 ILE A 100 -3.594 -4.407 -8.486 1.00 55.43 H new ATOM 0 HD11 ILE A 100 -7.532 -3.272 -7.194 1.00 0.41 H new ATOM 0 HD12 ILE A 100 -6.530 -1.803 -7.269 1.00 0.41 H new ATOM 0 HD13 ILE A 100 -6.329 -3.080 -8.492 1.00 0.41 H new ATOM 1552 N LYS A 101 -0.588 -3.921 -6.061 1.00 75.42 N ATOM 1553 CA LYS A 101 0.808 -3.445 -6.133 1.00 41.34 C ATOM 1554 C LYS A 101 1.043 -2.428 -7.299 1.00 55.23 C ATOM 1555 O LYS A 101 1.670 -1.396 -7.046 1.00 42.40 O ATOM 1556 CB LYS A 101 1.809 -4.655 -6.182 1.00 32.43 C ATOM 1557 CG LYS A 101 2.296 -5.173 -4.804 1.00 33.03 C ATOM 1558 CD LYS A 101 1.156 -5.583 -3.832 1.00 51.23 C ATOM 1559 CE LYS A 101 1.699 -6.094 -2.486 1.00 74.35 C ATOM 1560 NZ LYS A 101 0.619 -6.450 -1.536 1.00 23.44 N ATOM 0 H LYS A 101 -0.676 -4.934 -6.144 1.00 75.42 H new ATOM 0 HA LYS A 101 1.007 -2.888 -5.217 1.00 41.34 H new ATOM 0 HB2 LYS A 101 1.331 -5.479 -6.712 1.00 32.43 H new ATOM 0 HB3 LYS A 101 2.679 -4.361 -6.769 1.00 32.43 H new ATOM 0 HG2 LYS A 101 2.948 -6.032 -4.962 1.00 33.03 H new ATOM 0 HG3 LYS A 101 2.899 -4.398 -4.331 1.00 33.03 H new ATOM 0 HD2 LYS A 101 0.503 -4.727 -3.658 1.00 51.23 H new ATOM 0 HD3 LYS A 101 0.547 -6.359 -4.295 1.00 51.23 H new ATOM 0 HE2 LYS A 101 2.328 -6.967 -2.660 1.00 74.35 H new ATOM 0 HE3 LYS A 101 2.333 -5.328 -2.040 1.00 74.35 H new ATOM 0 HZ1 LYS A 101 1.024 -6.958 -0.724 1.00 23.44 H new ATOM 0 HZ2 LYS A 101 0.150 -5.584 -1.203 1.00 23.44 H new ATOM 0 HZ3 LYS A 101 -0.077 -7.058 -2.013 1.00 23.44 H new ATOM 1574 N PRO A 102 0.585 -2.694 -8.597 1.00 14.54 N ATOM 1575 CA PRO A 102 0.696 -1.693 -9.704 1.00 3.42 C ATOM 1576 C PRO A 102 0.043 -0.331 -9.368 1.00 45.21 C ATOM 1577 O PRO A 102 0.641 0.718 -9.588 1.00 72.30 O ATOM 1578 CB PRO A 102 -0.027 -2.386 -10.896 1.00 43.13 C ATOM 1579 CG PRO A 102 0.104 -3.852 -10.610 1.00 20.10 C ATOM 1580 CD PRO A 102 0.014 -3.980 -9.105 1.00 35.43 C ATOM 0 HA PRO A 102 1.736 -1.440 -9.911 1.00 3.42 H new ATOM 0 HB2 PRO A 102 -1.073 -2.085 -10.956 1.00 43.13 H new ATOM 0 HB3 PRO A 102 0.435 -2.124 -11.848 1.00 43.13 H new ATOM 0 HG2 PRO A 102 -0.687 -4.420 -11.100 1.00 20.10 H new ATOM 0 HG3 PRO A 102 1.052 -4.241 -10.981 1.00 20.10 H new ATOM 0 HD2 PRO A 102 -1.017 -4.116 -8.777 1.00 35.43 H new ATOM 0 HD3 PRO A 102 0.580 -4.838 -8.743 1.00 35.43 H new ATOM 1588 N LEU A 103 -1.177 -0.385 -8.797 1.00 64.51 N ATOM 1589 CA LEU A 103 -1.981 0.820 -8.480 1.00 74.52 C ATOM 1590 C LEU A 103 -1.264 1.639 -7.390 1.00 71.40 C ATOM 1591 O LEU A 103 -0.999 2.829 -7.570 1.00 63.41 O ATOM 1592 CB LEU A 103 -3.415 0.401 -7.994 1.00 72.14 C ATOM 1593 CG LEU A 103 -4.610 1.376 -8.287 1.00 63.31 C ATOM 1594 CD1 LEU A 103 -4.439 2.787 -7.664 1.00 25.33 C ATOM 1595 CD2 LEU A 103 -4.871 1.451 -9.803 1.00 62.44 C ATOM 0 H LEU A 103 -1.634 -1.260 -8.542 1.00 64.51 H new ATOM 0 HA LEU A 103 -2.087 1.431 -9.376 1.00 74.52 H new ATOM 0 HB2 LEU A 103 -3.652 -0.562 -8.446 1.00 72.14 H new ATOM 0 HB3 LEU A 103 -3.369 0.244 -6.916 1.00 72.14 H new ATOM 0 HG LEU A 103 -5.486 0.956 -7.793 1.00 63.31 H new ATOM 0 HD11 LEU A 103 -5.305 3.401 -7.911 1.00 25.33 H new ATOM 0 HD12 LEU A 103 -4.354 2.699 -6.581 1.00 25.33 H new ATOM 0 HD13 LEU A 103 -3.538 3.254 -8.062 1.00 25.33 H new ATOM 0 HD21 LEU A 103 -5.702 2.130 -9.996 1.00 62.44 H new ATOM 0 HD22 LEU A 103 -3.978 1.818 -10.308 1.00 62.44 H new ATOM 0 HD23 LEU A 103 -5.119 0.458 -10.179 1.00 62.44 H new ATOM 1607 N LEU A 104 -0.929 0.942 -6.285 1.00 64.23 N ATOM 1608 CA LEU A 104 -0.351 1.540 -5.073 1.00 64.55 C ATOM 1609 C LEU A 104 0.979 2.222 -5.386 1.00 24.15 C ATOM 1610 O LEU A 104 1.173 3.377 -5.029 1.00 63.24 O ATOM 1611 CB LEU A 104 -0.158 0.453 -3.983 1.00 64.31 C ATOM 1612 CG LEU A 104 0.336 0.945 -2.583 1.00 34.34 C ATOM 1613 CD1 LEU A 104 -0.650 1.960 -1.955 1.00 12.15 C ATOM 1614 CD2 LEU A 104 0.594 -0.255 -1.642 1.00 34.22 C ATOM 0 H LEU A 104 -1.056 -0.067 -6.213 1.00 64.23 H new ATOM 0 HA LEU A 104 -1.040 2.297 -4.699 1.00 64.55 H new ATOM 0 HB2 LEU A 104 -1.107 -0.065 -3.847 1.00 64.31 H new ATOM 0 HB3 LEU A 104 0.555 -0.282 -4.357 1.00 64.31 H new ATOM 0 HG LEU A 104 1.281 1.468 -2.726 1.00 34.34 H new ATOM 0 HD11 LEU A 104 -0.274 2.279 -0.983 1.00 12.15 H new ATOM 0 HD12 LEU A 104 -0.746 2.826 -2.609 1.00 12.15 H new ATOM 0 HD13 LEU A 104 -1.625 1.490 -1.830 1.00 12.15 H new ATOM 0 HD21 LEU A 104 0.937 0.109 -0.674 1.00 34.22 H new ATOM 0 HD22 LEU A 104 -0.329 -0.820 -1.511 1.00 34.22 H new ATOM 0 HD23 LEU A 104 1.356 -0.901 -2.077 1.00 34.22 H new ATOM 1626 N ASP A 105 1.853 1.495 -6.111 1.00 64.34 N ATOM 1627 CA ASP A 105 3.219 1.943 -6.420 1.00 34.23 C ATOM 1628 C ASP A 105 3.199 3.218 -7.271 1.00 61.41 C ATOM 1629 O ASP A 105 3.834 4.205 -6.916 1.00 40.35 O ATOM 1630 CB ASP A 105 4.023 0.825 -7.135 1.00 12.32 C ATOM 1631 CG ASP A 105 5.508 1.198 -7.298 1.00 2.22 C ATOM 1632 OD1 ASP A 105 5.910 1.698 -8.375 1.00 44.12 O ATOM 1633 OD2 ASP A 105 6.279 1.023 -6.328 1.00 45.22 O ATOM 0 H ASP A 105 1.627 0.579 -6.498 1.00 64.34 H new ATOM 0 HA ASP A 105 3.715 2.170 -5.476 1.00 34.23 H new ATOM 0 HB2 ASP A 105 3.942 -0.101 -6.566 1.00 12.32 H new ATOM 0 HB3 ASP A 105 3.587 0.635 -8.116 1.00 12.32 H new ATOM 1638 N VAL A 106 2.423 3.183 -8.367 1.00 63.04 N ATOM 1639 CA VAL A 106 2.270 4.322 -9.292 1.00 73.12 C ATOM 1640 C VAL A 106 1.738 5.572 -8.552 1.00 50.52 C ATOM 1641 O VAL A 106 2.272 6.670 -8.723 1.00 24.32 O ATOM 1642 CB VAL A 106 1.337 3.919 -10.502 1.00 72.13 C ATOM 1643 CG1 VAL A 106 0.874 5.138 -11.339 1.00 64.20 C ATOM 1644 CG2 VAL A 106 2.060 2.877 -11.403 1.00 65.34 C ATOM 0 H VAL A 106 1.882 2.362 -8.639 1.00 63.04 H new ATOM 0 HA VAL A 106 3.250 4.581 -9.693 1.00 73.12 H new ATOM 0 HB VAL A 106 0.435 3.475 -10.080 1.00 72.13 H new ATOM 0 HG11 VAL A 106 0.236 4.798 -12.155 1.00 64.20 H new ATOM 0 HG12 VAL A 106 0.315 5.824 -10.703 1.00 64.20 H new ATOM 0 HG13 VAL A 106 1.745 5.650 -11.748 1.00 64.20 H new ATOM 0 HG21 VAL A 106 1.411 2.603 -12.235 1.00 65.34 H new ATOM 0 HG22 VAL A 106 2.983 3.308 -11.789 1.00 65.34 H new ATOM 0 HG23 VAL A 106 2.292 1.988 -10.817 1.00 65.34 H new ATOM 1654 N THR A 107 0.730 5.368 -7.687 1.00 62.21 N ATOM 1655 CA THR A 107 0.078 6.454 -6.927 1.00 40.45 C ATOM 1656 C THR A 107 1.011 7.007 -5.808 1.00 73.53 C ATOM 1657 O THR A 107 0.983 8.211 -5.495 1.00 61.43 O ATOM 1658 CB THR A 107 -1.281 5.949 -6.345 1.00 64.44 C ATOM 1659 OG1 THR A 107 -2.086 5.423 -7.415 1.00 33.23 O ATOM 1660 CG2 THR A 107 -2.076 7.050 -5.638 1.00 44.42 C ATOM 0 H THR A 107 0.342 4.445 -7.493 1.00 62.21 H new ATOM 0 HA THR A 107 -0.123 7.283 -7.606 1.00 40.45 H new ATOM 0 HB THR A 107 -1.045 5.184 -5.605 1.00 64.44 H new ATOM 0 HG1 THR A 107 -1.811 4.503 -7.609 1.00 33.23 H new ATOM 0 HG21 THR A 107 -3.009 6.637 -5.256 1.00 44.42 H new ATOM 0 HG22 THR A 107 -1.489 7.448 -4.810 1.00 44.42 H new ATOM 0 HG23 THR A 107 -2.296 7.851 -6.344 1.00 44.42 H new ATOM 1668 N CYS A 108 1.864 6.126 -5.247 1.00 53.35 N ATOM 1669 CA CYS A 108 2.872 6.499 -4.231 1.00 31.03 C ATOM 1670 C CYS A 108 4.030 7.283 -4.887 1.00 40.13 C ATOM 1671 O CYS A 108 4.655 8.138 -4.253 1.00 1.12 O ATOM 1672 CB CYS A 108 3.418 5.240 -3.515 1.00 61.12 C ATOM 1673 SG CYS A 108 2.165 4.319 -2.600 1.00 64.21 S ATOM 0 H CYS A 108 1.874 5.134 -5.485 1.00 53.35 H new ATOM 0 HA CYS A 108 2.391 7.137 -3.489 1.00 31.03 H new ATOM 0 HB2 CYS A 108 3.871 4.581 -4.255 1.00 61.12 H new ATOM 0 HB3 CYS A 108 4.209 5.539 -2.828 1.00 61.12 H new ATOM 0 HG CYS A 108 1.461 3.605 -3.427 1.00 64.21 H new ATOM 1679 N LYS A 109 4.316 6.954 -6.158 1.00 42.12 N ATOM 1680 CA LYS A 109 5.324 7.657 -6.970 1.00 3.33 C ATOM 1681 C LYS A 109 4.785 9.024 -7.420 1.00 1.40 C ATOM 1682 O LYS A 109 5.559 9.961 -7.559 1.00 2.52 O ATOM 1683 CB LYS A 109 5.803 6.775 -8.178 1.00 51.21 C ATOM 1684 CG LYS A 109 7.029 5.870 -7.864 1.00 22.11 C ATOM 1685 CD LYS A 109 6.869 5.025 -6.569 1.00 30.53 C ATOM 1686 CE LYS A 109 8.095 4.148 -6.268 1.00 30.42 C ATOM 1687 NZ LYS A 109 8.289 3.083 -7.286 1.00 43.30 N ATOM 0 H LYS A 109 3.854 6.191 -6.653 1.00 42.12 H new ATOM 0 HA LYS A 109 6.205 7.837 -6.354 1.00 3.33 H new ATOM 0 HB2 LYS A 109 4.975 6.145 -8.503 1.00 51.21 H new ATOM 0 HB3 LYS A 109 6.053 7.429 -9.013 1.00 51.21 H new ATOM 0 HG2 LYS A 109 7.199 5.199 -8.706 1.00 22.11 H new ATOM 0 HG3 LYS A 109 7.917 6.496 -7.771 1.00 22.11 H new ATOM 0 HD2 LYS A 109 6.691 5.693 -5.726 1.00 30.53 H new ATOM 0 HD3 LYS A 109 5.989 4.389 -6.663 1.00 30.53 H new ATOM 0 HE2 LYS A 109 8.986 4.775 -6.226 1.00 30.42 H new ATOM 0 HE3 LYS A 109 7.980 3.691 -5.285 1.00 30.42 H new ATOM 0 HZ1 LYS A 109 8.629 2.217 -6.822 1.00 43.30 H new ATOM 0 HZ2 LYS A 109 7.385 2.889 -7.762 1.00 43.30 H new ATOM 0 HZ3 LYS A 109 8.990 3.397 -7.988 1.00 43.30 H new ATOM 1701 N THR A 110 3.451 9.123 -7.624 1.00 22.13 N ATOM 1702 CA THR A 110 2.787 10.388 -8.004 1.00 12.14 C ATOM 1703 C THR A 110 3.005 11.468 -6.919 1.00 75.42 C ATOM 1704 O THR A 110 3.492 12.563 -7.224 1.00 62.23 O ATOM 1705 CB THR A 110 1.251 10.179 -8.268 1.00 20.52 C ATOM 1706 OG1 THR A 110 1.068 9.149 -9.253 1.00 3.25 O ATOM 1707 CG2 THR A 110 0.556 11.471 -8.754 1.00 14.21 C ATOM 0 H THR A 110 2.811 8.335 -7.530 1.00 22.13 H new ATOM 0 HA THR A 110 3.242 10.729 -8.934 1.00 12.14 H new ATOM 0 HB THR A 110 0.796 9.892 -7.320 1.00 20.52 H new ATOM 0 HG1 THR A 110 1.462 8.312 -8.929 1.00 3.25 H new ATOM 0 HG21 THR A 110 -0.503 11.274 -8.922 1.00 14.21 H new ATOM 0 HG22 THR A 110 0.665 12.249 -7.998 1.00 14.21 H new ATOM 0 HG23 THR A 110 1.015 11.803 -9.685 1.00 14.21 H new ATOM 1715 N VAL A 111 2.685 11.129 -5.643 1.00 14.43 N ATOM 1716 CA VAL A 111 2.879 12.048 -4.493 1.00 34.34 C ATOM 1717 C VAL A 111 4.373 12.370 -4.272 1.00 42.31 C ATOM 1718 O VAL A 111 4.721 13.493 -3.875 1.00 23.32 O ATOM 1719 CB VAL A 111 2.227 11.510 -3.157 1.00 33.23 C ATOM 1720 CG1 VAL A 111 0.691 11.439 -3.269 1.00 72.11 C ATOM 1721 CG2 VAL A 111 2.802 10.139 -2.739 1.00 13.01 C ATOM 0 H VAL A 111 2.291 10.224 -5.386 1.00 14.43 H new ATOM 0 HA VAL A 111 2.358 12.969 -4.755 1.00 34.34 H new ATOM 0 HB VAL A 111 2.482 12.226 -2.376 1.00 33.23 H new ATOM 0 HG11 VAL A 111 0.275 11.065 -2.333 1.00 72.11 H new ATOM 0 HG12 VAL A 111 0.295 12.434 -3.471 1.00 72.11 H new ATOM 0 HG13 VAL A 111 0.416 10.767 -4.082 1.00 72.11 H new ATOM 0 HG21 VAL A 111 2.324 9.810 -1.816 1.00 13.01 H new ATOM 0 HG22 VAL A 111 2.612 9.409 -3.526 1.00 13.01 H new ATOM 0 HG23 VAL A 111 3.876 10.229 -2.579 1.00 13.01 H new ATOM 1731 N ALA A 112 5.240 11.379 -4.558 1.00 51.14 N ATOM 1732 CA ALA A 112 6.698 11.531 -4.460 1.00 64.23 C ATOM 1733 C ALA A 112 7.226 12.503 -5.538 1.00 75.10 C ATOM 1734 O ALA A 112 8.145 13.272 -5.277 1.00 51.24 O ATOM 1735 CB ALA A 112 7.382 10.161 -4.576 1.00 11.11 C ATOM 0 H ALA A 112 4.945 10.452 -4.863 1.00 51.14 H new ATOM 0 HA ALA A 112 6.936 11.956 -3.485 1.00 64.23 H new ATOM 0 HB1 ALA A 112 8.462 10.286 -4.502 1.00 11.11 H new ATOM 0 HB2 ALA A 112 7.036 9.512 -3.771 1.00 11.11 H new ATOM 0 HB3 ALA A 112 7.134 9.711 -5.537 1.00 11.11 H new ATOM 1741 N ASN A 113 6.611 12.473 -6.737 1.00 52.30 N ATOM 1742 CA ASN A 113 7.000 13.339 -7.879 1.00 34.10 C ATOM 1743 C ASN A 113 6.567 14.796 -7.645 1.00 25.05 C ATOM 1744 O ASN A 113 7.250 15.726 -8.097 1.00 22.10 O ATOM 1745 CB ASN A 113 6.407 12.805 -9.220 1.00 21.31 C ATOM 1746 CG ASN A 113 7.062 11.505 -9.702 1.00 32.00 C ATOM 1747 OD1 ASN A 113 8.243 11.255 -9.455 1.00 11.01 O ATOM 1748 ND2 ASN A 113 6.301 10.670 -10.394 1.00 31.05 N ATOM 0 H ASN A 113 5.831 11.850 -6.946 1.00 52.30 H new ATOM 0 HA ASN A 113 8.087 13.313 -7.952 1.00 34.10 H new ATOM 0 HB2 ASN A 113 5.337 12.639 -9.095 1.00 21.31 H new ATOM 0 HB3 ASN A 113 6.523 13.568 -9.989 1.00 21.31 H new ATOM 0 HD21 ASN A 113 6.690 9.792 -10.738 1.00 31.05 H new ATOM 0 HD22 ASN A 113 5.327 10.905 -10.582 1.00 31.05 H new ATOM 1755 N MET A 114 5.440 14.985 -6.926 1.00 25.04 N ATOM 1756 CA MET A 114 4.915 16.332 -6.611 1.00 53.33 C ATOM 1757 C MET A 114 5.877 17.089 -5.675 1.00 31.53 C ATOM 1758 O MET A 114 6.107 18.288 -5.847 1.00 22.44 O ATOM 1759 CB MET A 114 3.497 16.257 -5.977 1.00 12.03 C ATOM 1760 CG MET A 114 2.429 15.590 -6.859 1.00 54.15 C ATOM 1761 SD MET A 114 0.748 15.837 -6.233 1.00 71.12 S ATOM 1762 CE MET A 114 0.855 15.227 -4.548 1.00 30.02 C ATOM 0 H MET A 114 4.876 14.222 -6.552 1.00 25.04 H new ATOM 0 HA MET A 114 4.836 16.879 -7.550 1.00 53.33 H new ATOM 0 HB2 MET A 114 3.564 15.710 -5.036 1.00 12.03 H new ATOM 0 HB3 MET A 114 3.169 17.268 -5.736 1.00 12.03 H new ATOM 0 HG2 MET A 114 2.498 15.991 -7.870 1.00 54.15 H new ATOM 0 HG3 MET A 114 2.634 14.521 -6.925 1.00 54.15 H new ATOM 0 HE1 MET A 114 0.405 15.952 -3.869 1.00 30.02 H new ATOM 0 HE2 MET A 114 0.324 14.278 -4.470 1.00 30.02 H new ATOM 0 HE3 MET A 114 1.901 15.080 -4.280 1.00 30.02 H new ATOM 1772 N ILE A 115 6.455 16.360 -4.703 1.00 75.34 N ATOM 1773 CA ILE A 115 7.411 16.935 -3.729 1.00 74.43 C ATOM 1774 C ILE A 115 8.868 16.863 -4.237 1.00 72.44 C ATOM 1775 O ILE A 115 9.771 17.413 -3.599 1.00 64.15 O ATOM 1776 CB ILE A 115 7.309 16.223 -2.325 1.00 33.24 C ATOM 1777 CG1 ILE A 115 7.672 14.704 -2.434 1.00 4.11 C ATOM 1778 CG2 ILE A 115 5.903 16.416 -1.713 1.00 31.24 C ATOM 1779 CD1 ILE A 115 7.783 13.973 -1.111 1.00 30.50 C ATOM 0 H ILE A 115 6.277 15.365 -4.568 1.00 75.34 H new ATOM 0 HA ILE A 115 7.135 17.983 -3.615 1.00 74.43 H new ATOM 0 HB ILE A 115 8.034 16.689 -1.658 1.00 33.24 H new ATOM 0 HG12 ILE A 115 6.916 14.208 -3.043 1.00 4.11 H new ATOM 0 HG13 ILE A 115 8.620 14.610 -2.964 1.00 4.11 H new ATOM 0 HG21 ILE A 115 5.856 15.917 -0.745 1.00 31.24 H new ATOM 0 HG22 ILE A 115 5.706 17.480 -1.582 1.00 31.24 H new ATOM 0 HG23 ILE A 115 5.154 15.988 -2.379 1.00 31.24 H new ATOM 0 HD11 ILE A 115 8.037 12.929 -1.293 1.00 30.50 H new ATOM 0 HD12 ILE A 115 8.561 14.436 -0.504 1.00 30.50 H new ATOM 0 HD13 ILE A 115 6.831 14.028 -0.584 1.00 30.50 H new ATOM 1791 N ARG A 116 9.098 16.171 -5.371 1.00 34.40 N ATOM 1792 CA ARG A 116 10.453 15.988 -5.925 1.00 10.23 C ATOM 1793 C ARG A 116 10.840 17.214 -6.774 1.00 22.20 C ATOM 1794 O ARG A 116 10.588 17.248 -7.986 1.00 33.24 O ATOM 1795 CB ARG A 116 10.543 14.679 -6.767 1.00 35.45 C ATOM 1796 CG ARG A 116 11.981 14.182 -7.035 1.00 34.13 C ATOM 1797 CD ARG A 116 12.713 13.846 -5.724 1.00 24.55 C ATOM 1798 NE ARG A 116 14.053 13.272 -5.927 1.00 71.25 N ATOM 1799 CZ ARG A 116 14.703 12.518 -5.020 1.00 24.43 C ATOM 1800 NH1 ARG A 116 14.151 12.239 -3.838 1.00 25.24 N ATOM 1801 NH2 ARG A 116 15.902 12.046 -5.305 1.00 75.34 N ATOM 0 H ARG A 116 8.361 15.729 -5.921 1.00 34.40 H new ATOM 0 HA ARG A 116 11.157 15.895 -5.098 1.00 10.23 H new ATOM 0 HB2 ARG A 116 9.991 13.893 -6.251 1.00 35.45 H new ATOM 0 HB3 ARG A 116 10.046 14.843 -7.723 1.00 35.45 H new ATOM 0 HG2 ARG A 116 11.949 13.298 -7.672 1.00 34.13 H new ATOM 0 HG3 ARG A 116 12.537 14.947 -7.578 1.00 34.13 H new ATOM 0 HD2 ARG A 116 12.802 14.752 -5.125 1.00 24.55 H new ATOM 0 HD3 ARG A 116 12.109 13.143 -5.150 1.00 24.55 H new ATOM 0 HE ARG A 116 14.521 13.458 -6.814 1.00 71.25 H new ATOM 0 HH11 ARG A 116 13.224 12.598 -3.611 1.00 25.24 H new ATOM 0 HH12 ARG A 116 14.656 11.666 -3.162 1.00 25.24 H new ATOM 0 HH21 ARG A 116 16.330 12.253 -6.207 1.00 75.34 H new ATOM 0 HH22 ARG A 116 16.400 11.474 -4.623 1.00 75.34 H new ATOM 1815 N GLY A 117 11.391 18.236 -6.112 1.00 13.42 N ATOM 1816 CA GLY A 117 11.845 19.454 -6.785 1.00 64.34 C ATOM 1817 C GLY A 117 12.116 20.589 -5.794 1.00 4.21 C ATOM 1818 O GLY A 117 13.008 21.423 -6.047 1.00 44.34 O ATOM 1819 OXT GLY A 117 11.422 20.663 -4.763 1.00 37.45 O ATOM 0 H GLY A 117 11.534 18.242 -5.102 1.00 13.42 H new ATOM 0 HA2 GLY A 117 12.753 19.240 -7.348 1.00 64.34 H new ATOM 0 HA3 GLY A 117 11.091 19.773 -7.505 1.00 64.34 H new ATOM 1824 N SER B 2 17.342 -14.012 17.730 1.00 12.03 N ATOM 1825 CA SER B 2 18.388 -13.461 16.848 1.00 62.25 C ATOM 1826 C SER B 2 17.917 -12.141 16.218 1.00 15.43 C ATOM 1827 O SER B 2 16.709 -11.887 16.107 1.00 21.51 O ATOM 1828 CB SER B 2 18.749 -14.497 15.760 1.00 25.23 C ATOM 1829 OG SER B 2 17.603 -14.896 15.013 1.00 44.51 O ATOM 0 HA SER B 2 19.280 -13.250 17.437 1.00 62.25 H new ATOM 0 HB2 SER B 2 19.493 -14.073 15.086 1.00 25.23 H new ATOM 0 HB3 SER B 2 19.202 -15.372 16.226 1.00 25.23 H new ATOM 0 HG SER B 2 16.807 -14.842 15.582 1.00 44.51 H new ATOM 1837 N LEU B 3 18.887 -11.297 15.824 1.00 54.03 N ATOM 1838 CA LEU B 3 18.632 -10.033 15.114 1.00 73.21 C ATOM 1839 C LEU B 3 18.977 -10.212 13.625 1.00 22.14 C ATOM 1840 O LEU B 3 19.946 -10.904 13.288 1.00 1.45 O ATOM 1841 CB LEU B 3 19.480 -8.881 15.724 1.00 10.42 C ATOM 1842 CG LEU B 3 19.267 -8.581 17.241 1.00 71.12 C ATOM 1843 CD1 LEU B 3 20.255 -7.500 17.731 1.00 41.44 C ATOM 1844 CD2 LEU B 3 17.807 -8.178 17.531 1.00 71.24 C ATOM 0 H LEU B 3 19.877 -11.475 15.991 1.00 54.03 H new ATOM 0 HA LEU B 3 17.579 -9.771 15.218 1.00 73.21 H new ATOM 0 HB2 LEU B 3 20.533 -9.114 15.568 1.00 10.42 H new ATOM 0 HB3 LEU B 3 19.269 -7.970 15.164 1.00 10.42 H new ATOM 0 HG LEU B 3 19.470 -9.497 17.796 1.00 71.12 H new ATOM 0 HD11 LEU B 3 20.088 -7.308 18.791 1.00 41.44 H new ATOM 0 HD12 LEU B 3 21.277 -7.847 17.582 1.00 41.44 H new ATOM 0 HD13 LEU B 3 20.098 -6.581 17.166 1.00 41.44 H new ATOM 0 HD21 LEU B 3 17.690 -7.975 18.596 1.00 71.24 H new ATOM 0 HD22 LEU B 3 17.557 -7.283 16.962 1.00 71.24 H new ATOM 0 HD23 LEU B 3 17.141 -8.991 17.241 1.00 71.24 H new ATOM 1856 N VAL B 4 18.165 -9.616 12.746 1.00 34.33 N ATOM 1857 CA VAL B 4 18.429 -9.552 11.296 1.00 42.25 C ATOM 1858 C VAL B 4 18.835 -8.118 10.919 1.00 32.23 C ATOM 1859 O VAL B 4 18.247 -7.142 11.405 1.00 55.42 O ATOM 1860 CB VAL B 4 17.196 -10.026 10.434 1.00 75.32 C ATOM 1861 CG1 VAL B 4 17.007 -11.556 10.536 1.00 41.33 C ATOM 1862 CG2 VAL B 4 15.902 -9.281 10.842 1.00 41.32 C ATOM 0 H VAL B 4 17.295 -9.158 13.019 1.00 34.33 H new ATOM 0 HA VAL B 4 19.244 -10.241 11.072 1.00 42.25 H new ATOM 0 HB VAL B 4 17.406 -9.778 9.393 1.00 75.32 H new ATOM 0 HG11 VAL B 4 16.151 -11.858 9.933 1.00 41.33 H new ATOM 0 HG12 VAL B 4 17.903 -12.058 10.171 1.00 41.33 H new ATOM 0 HG13 VAL B 4 16.834 -11.833 11.576 1.00 41.33 H new ATOM 0 HG21 VAL B 4 15.072 -9.631 10.229 1.00 41.32 H new ATOM 0 HG22 VAL B 4 15.685 -9.477 11.892 1.00 41.32 H new ATOM 0 HG23 VAL B 4 16.037 -8.210 10.693 1.00 41.32 H new ATOM 1872 N LYS B 5 19.856 -8.012 10.062 1.00 53.14 N ATOM 1873 CA LYS B 5 20.458 -6.734 9.656 1.00 41.53 C ATOM 1874 C LYS B 5 19.800 -6.226 8.359 1.00 50.10 C ATOM 1875 O LYS B 5 19.839 -6.911 7.333 1.00 21.11 O ATOM 1876 CB LYS B 5 21.978 -6.936 9.438 1.00 61.12 C ATOM 1877 CG LYS B 5 22.747 -7.464 10.666 1.00 42.43 C ATOM 1878 CD LYS B 5 24.237 -7.741 10.361 1.00 33.13 C ATOM 1879 CE LYS B 5 25.033 -8.144 11.613 1.00 32.22 C ATOM 1880 NZ LYS B 5 24.464 -9.342 12.282 1.00 73.51 N ATOM 0 H LYS B 5 20.295 -8.822 9.624 1.00 53.14 H new ATOM 0 HA LYS B 5 20.298 -5.992 10.438 1.00 41.53 H new ATOM 0 HB2 LYS B 5 22.122 -7.631 8.611 1.00 61.12 H new ATOM 0 HB3 LYS B 5 22.416 -5.985 9.135 1.00 61.12 H new ATOM 0 HG2 LYS B 5 22.675 -6.737 11.475 1.00 42.43 H new ATOM 0 HG3 LYS B 5 22.276 -8.381 11.018 1.00 42.43 H new ATOM 0 HD2 LYS B 5 24.310 -8.535 9.618 1.00 33.13 H new ATOM 0 HD3 LYS B 5 24.686 -6.850 9.921 1.00 33.13 H new ATOM 0 HE2 LYS B 5 26.068 -8.343 11.334 1.00 32.22 H new ATOM 0 HE3 LYS B 5 25.047 -7.311 12.316 1.00 32.22 H new ATOM 0 HZ1 LYS B 5 25.072 -9.616 13.080 1.00 73.51 H new ATOM 0 HZ2 LYS B 5 23.510 -9.123 12.633 1.00 73.51 H new ATOM 0 HZ3 LYS B 5 24.411 -10.127 11.602 1.00 73.51 H new ATOM 1894 N LEU B 6 19.158 -5.050 8.430 1.00 73.43 N ATOM 1895 CA LEU B 6 18.576 -4.371 7.256 1.00 41.42 C ATOM 1896 C LEU B 6 19.280 -3.023 7.078 1.00 10.02 C ATOM 1897 O LEU B 6 19.029 -2.088 7.851 1.00 53.22 O ATOM 1898 CB LEU B 6 17.031 -4.137 7.400 1.00 62.33 C ATOM 1899 CG LEU B 6 16.104 -5.397 7.538 1.00 5.44 C ATOM 1900 CD1 LEU B 6 16.393 -6.451 6.447 1.00 73.14 C ATOM 1901 CD2 LEU B 6 16.156 -6.003 8.958 1.00 31.05 C ATOM 0 H LEU B 6 19.026 -4.540 9.303 1.00 73.43 H new ATOM 0 HA LEU B 6 18.723 -5.013 6.387 1.00 41.42 H new ATOM 0 HB2 LEU B 6 16.869 -3.506 8.274 1.00 62.33 H new ATOM 0 HB3 LEU B 6 16.697 -3.570 6.531 1.00 62.33 H new ATOM 0 HG LEU B 6 15.082 -5.054 7.381 1.00 5.44 H new ATOM 0 HD11 LEU B 6 15.729 -7.305 6.581 1.00 73.14 H new ATOM 0 HD12 LEU B 6 16.225 -6.012 5.463 1.00 73.14 H new ATOM 0 HD13 LEU B 6 17.429 -6.781 6.525 1.00 73.14 H new ATOM 0 HD21 LEU B 6 15.500 -6.872 9.007 1.00 31.05 H new ATOM 0 HD22 LEU B 6 17.178 -6.306 9.187 1.00 31.05 H new ATOM 0 HD23 LEU B 6 15.827 -5.259 9.683 1.00 31.05 H new ATOM 1913 N GLU B 7 20.194 -2.927 6.097 1.00 53.12 N ATOM 1914 CA GLU B 7 20.828 -1.648 5.759 1.00 64.13 C ATOM 1915 C GLU B 7 19.803 -0.746 5.078 1.00 34.10 C ATOM 1916 O GLU B 7 18.932 -1.216 4.349 1.00 62.23 O ATOM 1917 CB GLU B 7 22.066 -1.813 4.829 1.00 55.02 C ATOM 1918 CG GLU B 7 23.265 -2.553 5.454 1.00 23.12 C ATOM 1919 CD GLU B 7 23.006 -4.046 5.689 1.00 23.14 C ATOM 1920 OE1 GLU B 7 23.084 -4.821 4.711 1.00 71.42 O ATOM 1921 OE2 GLU B 7 22.714 -4.446 6.842 1.00 24.42 O ATOM 0 H GLU B 7 20.506 -3.715 5.530 1.00 53.12 H new ATOM 0 HA GLU B 7 21.182 -1.205 6.690 1.00 64.13 H new ATOM 0 HB2 GLU B 7 21.757 -2.349 3.932 1.00 55.02 H new ATOM 0 HB3 GLU B 7 22.396 -0.824 4.512 1.00 55.02 H new ATOM 0 HG2 GLU B 7 24.131 -2.441 4.802 1.00 23.12 H new ATOM 0 HG3 GLU B 7 23.518 -2.082 6.404 1.00 23.12 H new ATOM 1928 N SER B 8 19.893 0.541 5.346 1.00 13.41 N ATOM 1929 CA SER B 8 19.105 1.546 4.647 1.00 54.11 C ATOM 1930 C SER B 8 19.881 2.022 3.409 1.00 64.14 C ATOM 1931 O SER B 8 21.038 1.628 3.190 1.00 63.50 O ATOM 1932 CB SER B 8 18.807 2.704 5.614 1.00 62.10 C ATOM 1933 OG SER B 8 19.998 3.195 6.212 1.00 3.42 O ATOM 0 H SER B 8 20.516 0.925 6.057 1.00 13.41 H new ATOM 0 HA SER B 8 18.155 1.131 4.309 1.00 54.11 H new ATOM 0 HB2 SER B 8 18.308 3.510 5.077 1.00 62.10 H new ATOM 0 HB3 SER B 8 18.120 2.365 6.390 1.00 62.10 H new ATOM 0 HG SER B 8 20.599 3.533 5.515 1.00 3.42 H new ATOM 1939 N SER B 9 19.226 2.868 2.603 1.00 10.14 N ATOM 1940 CA SER B 9 19.868 3.585 1.488 1.00 22.43 C ATOM 1941 C SER B 9 20.977 4.530 2.023 1.00 72.43 C ATOM 1942 O SER B 9 21.922 4.874 1.308 1.00 73.42 O ATOM 1943 CB SER B 9 18.801 4.389 0.706 1.00 3.10 C ATOM 1944 OG SER B 9 19.343 4.975 -0.461 1.00 75.12 O ATOM 0 H SER B 9 18.233 3.077 2.704 1.00 10.14 H new ATOM 0 HA SER B 9 20.331 2.862 0.816 1.00 22.43 H new ATOM 0 HB2 SER B 9 17.976 3.731 0.434 1.00 3.10 H new ATOM 0 HB3 SER B 9 18.389 5.168 1.347 1.00 3.10 H new ATOM 0 HG SER B 9 18.936 4.565 -1.252 1.00 75.12 H new ATOM 1950 N ASP B 10 20.833 4.907 3.311 1.00 64.02 N ATOM 1951 CA ASP B 10 21.749 5.800 4.044 1.00 61.41 C ATOM 1952 C ASP B 10 22.945 5.008 4.664 1.00 33.43 C ATOM 1953 O ASP B 10 23.773 5.582 5.383 1.00 72.23 O ATOM 1954 CB ASP B 10 20.915 6.538 5.130 1.00 14.31 C ATOM 1955 CG ASP B 10 21.673 7.646 5.894 1.00 64.32 C ATOM 1956 OD1 ASP B 10 21.783 8.769 5.364 1.00 63.04 O ATOM 1957 OD2 ASP B 10 22.132 7.404 7.028 1.00 1.41 O ATOM 0 H ASP B 10 20.052 4.588 3.885 1.00 64.02 H new ATOM 0 HA ASP B 10 22.195 6.526 3.364 1.00 61.41 H new ATOM 0 HB2 ASP B 10 20.038 6.979 4.656 1.00 14.31 H new ATOM 0 HB3 ASP B 10 20.553 5.804 5.850 1.00 14.31 H new ATOM 1962 N GLU B 11 23.017 3.685 4.358 1.00 75.44 N ATOM 1963 CA GLU B 11 24.124 2.773 4.766 1.00 12.35 C ATOM 1964 C GLU B 11 24.111 2.424 6.274 1.00 64.55 C ATOM 1965 O GLU B 11 25.055 1.796 6.778 1.00 54.42 O ATOM 1966 CB GLU B 11 25.522 3.330 4.340 1.00 32.40 C ATOM 1967 CG GLU B 11 25.725 3.500 2.822 1.00 23.33 C ATOM 1968 CD GLU B 11 25.612 2.182 2.038 1.00 70.31 C ATOM 1969 OE1 GLU B 11 24.603 1.970 1.332 1.00 52.24 O ATOM 1970 OE2 GLU B 11 26.540 1.348 2.141 1.00 61.14 O ATOM 0 H GLU B 11 22.296 3.213 3.812 1.00 75.44 H new ATOM 0 HA GLU B 11 23.944 1.842 4.229 1.00 12.35 H new ATOM 0 HB2 GLU B 11 25.672 4.296 4.821 1.00 32.40 H new ATOM 0 HB3 GLU B 11 26.293 2.661 4.721 1.00 32.40 H new ATOM 0 HG2 GLU B 11 24.986 4.205 2.441 1.00 23.33 H new ATOM 0 HG3 GLU B 11 26.706 3.938 2.641 1.00 23.33 H new ATOM 1977 N LYS B 12 23.040 2.813 6.989 1.00 72.45 N ATOM 1978 CA LYS B 12 22.882 2.493 8.419 1.00 72.44 C ATOM 1979 C LYS B 12 22.232 1.108 8.581 1.00 1.30 C ATOM 1980 O LYS B 12 21.149 0.860 8.040 1.00 63.44 O ATOM 1981 CB LYS B 12 22.069 3.595 9.157 1.00 71.33 C ATOM 1982 CG LYS B 12 22.856 4.901 9.405 1.00 23.44 C ATOM 1983 CD LYS B 12 22.047 5.934 10.228 1.00 12.32 C ATOM 1984 CE LYS B 12 22.884 7.156 10.653 1.00 12.02 C ATOM 1985 NZ LYS B 12 23.458 7.886 9.490 1.00 42.24 N ATOM 0 H LYS B 12 22.268 3.352 6.597 1.00 72.45 H new ATOM 0 HA LYS B 12 23.870 2.463 8.879 1.00 72.44 H new ATOM 0 HB2 LYS B 12 21.178 3.826 8.573 1.00 71.33 H new ATOM 0 HB3 LYS B 12 21.730 3.201 10.115 1.00 71.33 H new ATOM 0 HG2 LYS B 12 23.783 4.669 9.930 1.00 23.44 H new ATOM 0 HG3 LYS B 12 23.134 5.341 8.447 1.00 23.44 H new ATOM 0 HD2 LYS B 12 21.195 6.272 9.639 1.00 12.32 H new ATOM 0 HD3 LYS B 12 21.647 5.448 11.118 1.00 12.32 H new ATOM 0 HE2 LYS B 12 22.260 7.836 11.233 1.00 12.02 H new ATOM 0 HE3 LYS B 12 23.692 6.829 11.307 1.00 12.02 H new ATOM 0 HZ1 LYS B 12 23.398 8.910 9.659 1.00 42.24 H new ATOM 0 HZ2 LYS B 12 24.454 7.613 9.366 1.00 42.24 H new ATOM 0 HZ3 LYS B 12 22.923 7.645 8.631 1.00 42.24 H new ATOM 1999 N VAL B 13 22.926 0.222 9.318 1.00 31.02 N ATOM 2000 CA VAL B 13 22.485 -1.160 9.585 1.00 2.34 C ATOM 2001 C VAL B 13 21.465 -1.170 10.744 1.00 51.53 C ATOM 2002 O VAL B 13 21.799 -0.780 11.868 1.00 52.03 O ATOM 2003 CB VAL B 13 23.709 -2.082 9.955 1.00 62.24 C ATOM 2004 CG1 VAL B 13 23.260 -3.545 10.204 1.00 1.41 C ATOM 2005 CG2 VAL B 13 24.813 -2.007 8.870 1.00 61.33 C ATOM 0 H VAL B 13 23.821 0.449 9.751 1.00 31.02 H new ATOM 0 HA VAL B 13 22.018 -1.549 8.680 1.00 2.34 H new ATOM 0 HB VAL B 13 24.134 -1.709 10.886 1.00 62.24 H new ATOM 0 HG11 VAL B 13 24.128 -4.154 10.457 1.00 1.41 H new ATOM 0 HG12 VAL B 13 22.546 -3.571 11.027 1.00 1.41 H new ATOM 0 HG13 VAL B 13 22.790 -3.940 9.303 1.00 1.41 H new ATOM 0 HG21 VAL B 13 25.645 -2.653 9.152 1.00 61.33 H new ATOM 0 HG22 VAL B 13 24.406 -2.336 7.914 1.00 61.33 H new ATOM 0 HG23 VAL B 13 25.166 -0.980 8.780 1.00 61.33 H new ATOM 2015 N PHE B 14 20.225 -1.598 10.463 1.00 44.11 N ATOM 2016 CA PHE B 14 19.145 -1.677 11.463 1.00 63.55 C ATOM 2017 C PHE B 14 18.874 -3.140 11.832 1.00 33.02 C ATOM 2018 O PHE B 14 18.235 -3.880 11.079 1.00 61.31 O ATOM 2019 CB PHE B 14 17.876 -0.965 10.936 1.00 22.21 C ATOM 2020 CG PHE B 14 18.071 0.543 10.840 1.00 65.52 C ATOM 2021 CD1 PHE B 14 18.023 1.331 11.989 1.00 45.32 C ATOM 2022 CD2 PHE B 14 18.340 1.164 9.625 1.00 12.02 C ATOM 2023 CE1 PHE B 14 18.237 2.688 11.925 1.00 43.15 C ATOM 2024 CE2 PHE B 14 18.548 2.522 9.564 1.00 21.14 C ATOM 2025 CZ PHE B 14 18.498 3.283 10.714 1.00 74.15 C ATOM 0 H PHE B 14 19.940 -1.901 9.532 1.00 44.11 H new ATOM 0 HA PHE B 14 19.454 -1.162 12.373 1.00 63.55 H new ATOM 0 HB2 PHE B 14 17.618 -1.361 9.954 1.00 22.21 H new ATOM 0 HB3 PHE B 14 17.037 -1.182 11.597 1.00 22.21 H new ATOM 0 HD1 PHE B 14 17.815 0.869 12.943 1.00 45.32 H new ATOM 0 HD2 PHE B 14 18.386 0.574 8.721 1.00 12.02 H new ATOM 0 HE1 PHE B 14 18.200 3.285 12.824 1.00 43.15 H new ATOM 0 HE2 PHE B 14 18.751 2.994 8.614 1.00 21.14 H new ATOM 0 HZ PHE B 14 18.664 4.349 10.662 1.00 74.15 H new ATOM 2035 N GLU B 15 19.414 -3.546 12.993 1.00 22.02 N ATOM 2036 CA GLU B 15 19.297 -4.909 13.516 1.00 0.22 C ATOM 2037 C GLU B 15 18.036 -5.008 14.387 1.00 22.25 C ATOM 2038 O GLU B 15 18.049 -4.636 15.567 1.00 61.51 O ATOM 2039 CB GLU B 15 20.563 -5.272 14.329 1.00 14.43 C ATOM 2040 CG GLU B 15 21.880 -5.089 13.555 1.00 60.50 C ATOM 2041 CD GLU B 15 23.121 -5.397 14.403 1.00 22.22 C ATOM 2042 OE1 GLU B 15 23.580 -4.500 15.140 1.00 11.13 O ATOM 2043 OE2 GLU B 15 23.634 -6.533 14.353 1.00 60.43 O ATOM 0 H GLU B 15 19.950 -2.925 13.599 1.00 22.02 H new ATOM 0 HA GLU B 15 19.211 -5.617 12.692 1.00 0.22 H new ATOM 0 HB2 GLU B 15 20.594 -4.656 15.228 1.00 14.43 H new ATOM 0 HB3 GLU B 15 20.487 -6.309 14.656 1.00 14.43 H new ATOM 0 HG2 GLU B 15 21.874 -5.739 12.680 1.00 60.50 H new ATOM 0 HG3 GLU B 15 21.941 -4.064 13.190 1.00 60.50 H new ATOM 2050 N ILE B 16 16.938 -5.443 13.766 1.00 41.20 N ATOM 2051 CA ILE B 16 15.647 -5.659 14.447 1.00 14.31 C ATOM 2052 C ILE B 16 15.491 -7.161 14.761 1.00 31.12 C ATOM 2053 O ILE B 16 16.133 -8.001 14.120 1.00 40.42 O ATOM 2054 CB ILE B 16 14.442 -5.150 13.561 1.00 3.42 C ATOM 2055 CG1 ILE B 16 13.087 -5.236 14.341 1.00 1.50 C ATOM 2056 CG2 ILE B 16 14.370 -5.910 12.208 1.00 53.41 C ATOM 2057 CD1 ILE B 16 11.865 -4.841 13.545 1.00 22.54 C ATOM 0 H ILE B 16 16.913 -5.659 12.769 1.00 41.20 H new ATOM 0 HA ILE B 16 15.634 -5.087 15.375 1.00 14.31 H new ATOM 0 HB ILE B 16 14.623 -4.100 13.333 1.00 3.42 H new ATOM 0 HG12 ILE B 16 12.955 -6.257 14.698 1.00 1.50 H new ATOM 0 HG13 ILE B 16 13.151 -4.596 15.221 1.00 1.50 H new ATOM 0 HG21 ILE B 16 13.530 -5.535 11.624 1.00 53.41 H new ATOM 0 HG22 ILE B 16 15.296 -5.754 11.654 1.00 53.41 H new ATOM 0 HG23 ILE B 16 14.234 -6.975 12.396 1.00 53.41 H new ATOM 0 HD11 ILE B 16 10.977 -4.934 14.171 1.00 22.54 H new ATOM 0 HD12 ILE B 16 11.967 -3.809 13.210 1.00 22.54 H new ATOM 0 HD13 ILE B 16 11.768 -5.495 12.679 1.00 22.54 H new ATOM 2069 N GLU B 17 14.651 -7.488 15.760 1.00 24.14 N ATOM 2070 CA GLU B 17 14.334 -8.874 16.127 1.00 2.10 C ATOM 2071 C GLU B 17 13.695 -9.596 14.927 1.00 32.35 C ATOM 2072 O GLU B 17 12.781 -9.064 14.279 1.00 13.01 O ATOM 2073 CB GLU B 17 13.401 -8.942 17.373 1.00 34.12 C ATOM 2074 CG GLU B 17 13.986 -8.324 18.672 1.00 41.23 C ATOM 2075 CD GLU B 17 13.993 -6.782 18.703 1.00 72.22 C ATOM 2076 OE1 GLU B 17 15.010 -6.150 18.334 1.00 15.21 O ATOM 2077 OE2 GLU B 17 12.970 -6.192 19.074 1.00 71.30 O ATOM 0 H GLU B 17 14.173 -6.794 16.335 1.00 24.14 H new ATOM 0 HA GLU B 17 15.264 -9.376 16.395 1.00 2.10 H new ATOM 0 HB2 GLU B 17 12.467 -8.432 17.136 1.00 34.12 H new ATOM 0 HB3 GLU B 17 13.154 -9.986 17.566 1.00 34.12 H new ATOM 0 HG2 GLU B 17 13.411 -8.689 19.523 1.00 41.23 H new ATOM 0 HG3 GLU B 17 15.008 -8.682 18.801 1.00 41.23 H new ATOM 2084 N LYS B 18 14.199 -10.806 14.661 1.00 53.33 N ATOM 2085 CA LYS B 18 13.869 -11.599 13.469 1.00 0.34 C ATOM 2086 C LYS B 18 12.359 -11.933 13.405 1.00 72.50 C ATOM 2087 O LYS B 18 11.775 -11.975 12.314 1.00 11.31 O ATOM 2088 CB LYS B 18 14.747 -12.879 13.471 1.00 25.02 C ATOM 2089 CG LYS B 18 14.531 -13.828 12.273 1.00 73.43 C ATOM 2090 CD LYS B 18 15.544 -14.996 12.249 1.00 41.43 C ATOM 2091 CE LYS B 18 15.209 -16.043 11.173 1.00 74.12 C ATOM 2092 NZ LYS B 18 13.915 -16.728 11.451 1.00 31.13 N ATOM 0 H LYS B 18 14.862 -11.272 15.281 1.00 53.33 H new ATOM 0 HA LYS B 18 14.084 -11.017 12.573 1.00 0.34 H new ATOM 0 HB2 LYS B 18 15.795 -12.581 13.493 1.00 25.02 H new ATOM 0 HB3 LYS B 18 14.553 -13.431 14.391 1.00 25.02 H new ATOM 0 HG2 LYS B 18 13.519 -14.231 12.311 1.00 73.43 H new ATOM 0 HG3 LYS B 18 14.614 -13.261 11.346 1.00 73.43 H new ATOM 0 HD2 LYS B 18 16.544 -14.602 12.069 1.00 41.43 H new ATOM 0 HD3 LYS B 18 15.562 -15.477 13.227 1.00 41.43 H new ATOM 0 HE2 LYS B 18 15.162 -15.559 10.197 1.00 74.12 H new ATOM 0 HE3 LYS B 18 16.008 -16.782 11.124 1.00 74.12 H new ATOM 0 HZ1 LYS B 18 13.828 -17.566 10.841 1.00 31.13 H new ATOM 0 HZ2 LYS B 18 13.884 -17.021 12.449 1.00 31.13 H new ATOM 0 HZ3 LYS B 18 13.128 -16.076 11.257 1.00 31.13 H new ATOM 2106 N GLU B 19 11.739 -12.123 14.592 1.00 32.24 N ATOM 2107 CA GLU B 19 10.291 -12.398 14.718 1.00 15.20 C ATOM 2108 C GLU B 19 9.445 -11.189 14.262 1.00 55.24 C ATOM 2109 O GLU B 19 8.372 -11.356 13.683 1.00 61.42 O ATOM 2110 CB GLU B 19 9.925 -12.790 16.184 1.00 24.14 C ATOM 2111 CG GLU B 19 10.211 -11.698 17.247 1.00 64.33 C ATOM 2112 CD GLU B 19 9.728 -12.040 18.673 1.00 33.42 C ATOM 2113 OE1 GLU B 19 10.405 -11.668 19.657 1.00 52.10 O ATOM 2114 OE2 GLU B 19 8.655 -12.657 18.821 1.00 61.13 O ATOM 0 H GLU B 19 12.228 -12.090 15.487 1.00 32.24 H new ATOM 0 HA GLU B 19 10.061 -13.239 14.063 1.00 15.20 H new ATOM 0 HB2 GLU B 19 8.866 -13.044 16.222 1.00 24.14 H new ATOM 0 HB3 GLU B 19 10.478 -13.690 16.452 1.00 24.14 H new ATOM 0 HG2 GLU B 19 11.285 -11.512 17.277 1.00 64.33 H new ATOM 0 HG3 GLU B 19 9.736 -10.769 16.931 1.00 64.33 H new ATOM 2121 N ILE B 20 9.944 -9.969 14.533 1.00 71.30 N ATOM 2122 CA ILE B 20 9.232 -8.717 14.216 1.00 1.11 C ATOM 2123 C ILE B 20 9.424 -8.357 12.724 1.00 64.33 C ATOM 2124 O ILE B 20 8.552 -7.742 12.103 1.00 22.43 O ATOM 2125 CB ILE B 20 9.715 -7.540 15.137 1.00 21.34 C ATOM 2126 CG1 ILE B 20 9.659 -7.962 16.640 1.00 54.03 C ATOM 2127 CG2 ILE B 20 8.875 -6.268 14.887 1.00 61.44 C ATOM 2128 CD1 ILE B 20 10.085 -6.889 17.624 1.00 12.41 C ATOM 0 H ILE B 20 10.851 -9.823 14.977 1.00 71.30 H new ATOM 0 HA ILE B 20 8.170 -8.872 14.406 1.00 1.11 H new ATOM 0 HB ILE B 20 10.751 -7.311 14.887 1.00 21.34 H new ATOM 0 HG12 ILE B 20 8.640 -8.268 16.878 1.00 54.03 H new ATOM 0 HG13 ILE B 20 10.295 -8.836 16.780 1.00 54.03 H new ATOM 0 HG21 ILE B 20 9.227 -5.466 15.536 1.00 61.44 H new ATOM 0 HG22 ILE B 20 8.977 -5.963 13.845 1.00 61.44 H new ATOM 0 HG23 ILE B 20 7.827 -6.476 15.103 1.00 61.44 H new ATOM 0 HD11 ILE B 20 10.012 -7.277 18.640 1.00 12.41 H new ATOM 0 HD12 ILE B 20 11.115 -6.597 17.420 1.00 12.41 H new ATOM 0 HD13 ILE B 20 9.434 -6.021 17.520 1.00 12.41 H new ATOM 2140 N ALA B 21 10.577 -8.762 12.156 1.00 34.13 N ATOM 2141 CA ALA B 21 10.881 -8.595 10.716 1.00 72.00 C ATOM 2142 C ALA B 21 9.901 -9.393 9.824 1.00 2.33 C ATOM 2143 O ALA B 21 9.740 -9.086 8.635 1.00 33.22 O ATOM 2144 CB ALA B 21 12.330 -9.015 10.437 1.00 25.20 C ATOM 0 H ALA B 21 11.326 -9.215 12.680 1.00 34.13 H new ATOM 0 HA ALA B 21 10.758 -7.541 10.466 1.00 72.00 H new ATOM 0 HB1 ALA B 21 12.547 -8.890 9.376 1.00 25.20 H new ATOM 0 HB2 ALA B 21 13.008 -8.394 11.022 1.00 25.20 H new ATOM 0 HB3 ALA B 21 12.466 -10.060 10.714 1.00 25.20 H new ATOM 2150 N CYS B 22 9.246 -10.411 10.424 1.00 33.32 N ATOM 2151 CA CYS B 22 8.228 -11.232 9.754 1.00 14.21 C ATOM 2152 C CYS B 22 6.931 -10.430 9.464 1.00 30.41 C ATOM 2153 O CYS B 22 6.169 -10.788 8.563 1.00 72.11 O ATOM 2154 CB CYS B 22 7.913 -12.466 10.617 1.00 71.04 C ATOM 2155 SG CYS B 22 9.377 -13.428 11.063 1.00 42.22 S ATOM 0 H CYS B 22 9.414 -10.683 11.393 1.00 33.32 H new ATOM 0 HA CYS B 22 8.631 -11.549 8.792 1.00 14.21 H new ATOM 0 HB2 CYS B 22 7.409 -12.143 11.528 1.00 71.04 H new ATOM 0 HB3 CYS B 22 7.217 -13.108 10.078 1.00 71.04 H new ATOM 0 HG CYS B 22 10.276 -12.639 11.572 1.00 42.22 H new ATOM 2161 N MET B 23 6.689 -9.355 10.244 1.00 73.25 N ATOM 2162 CA MET B 23 5.490 -8.492 10.088 1.00 51.21 C ATOM 2163 C MET B 23 5.507 -7.752 8.739 1.00 24.22 C ATOM 2164 O MET B 23 4.453 -7.493 8.136 1.00 71.01 O ATOM 2165 CB MET B 23 5.411 -7.478 11.248 1.00 24.20 C ATOM 2166 CG MET B 23 5.290 -8.117 12.631 1.00 2.24 C ATOM 2167 SD MET B 23 5.242 -6.882 13.938 1.00 72.44 S ATOM 2168 CE MET B 23 3.776 -5.946 13.496 1.00 43.22 C ATOM 0 H MET B 23 7.312 -9.059 10.996 1.00 73.25 H new ATOM 0 HA MET B 23 4.608 -9.133 10.111 1.00 51.21 H new ATOM 0 HB2 MET B 23 6.301 -6.849 11.227 1.00 24.20 H new ATOM 0 HB3 MET B 23 4.554 -6.824 11.086 1.00 24.20 H new ATOM 0 HG2 MET B 23 4.386 -8.725 12.672 1.00 2.24 H new ATOM 0 HG3 MET B 23 6.133 -8.788 12.796 1.00 2.24 H new ATOM 0 HE1 MET B 23 4.071 -4.990 13.063 1.00 43.22 H new ATOM 0 HE2 MET B 23 3.191 -6.509 12.769 1.00 43.22 H new ATOM 0 HE3 MET B 23 3.174 -5.770 14.388 1.00 43.22 H new ATOM 2178 N SER B 24 6.721 -7.401 8.297 1.00 13.43 N ATOM 2179 CA SER B 24 6.969 -6.911 6.944 1.00 75.44 C ATOM 2180 C SER B 24 6.867 -8.108 5.993 1.00 71.53 C ATOM 2181 O SER B 24 7.694 -9.020 6.074 1.00 25.24 O ATOM 2182 CB SER B 24 8.367 -6.257 6.855 1.00 44.12 C ATOM 2183 OG SER B 24 8.666 -5.864 5.527 1.00 63.44 O ATOM 0 H SER B 24 7.560 -7.451 8.874 1.00 13.43 H new ATOM 0 HA SER B 24 6.237 -6.151 6.672 1.00 75.44 H new ATOM 0 HB2 SER B 24 8.407 -5.388 7.512 1.00 44.12 H new ATOM 0 HB3 SER B 24 9.123 -6.959 7.208 1.00 44.12 H new ATOM 0 HG SER B 24 7.834 -5.783 5.015 1.00 63.44 H new ATOM 2189 N VAL B 25 5.825 -8.115 5.136 1.00 0.30 N ATOM 2190 CA VAL B 25 5.543 -9.233 4.217 1.00 44.43 C ATOM 2191 C VAL B 25 6.723 -9.455 3.250 1.00 22.33 C ATOM 2192 O VAL B 25 7.146 -10.586 3.056 1.00 61.34 O ATOM 2193 CB VAL B 25 4.195 -9.007 3.422 1.00 41.34 C ATOM 2194 CG1 VAL B 25 3.937 -10.118 2.367 1.00 24.20 C ATOM 2195 CG2 VAL B 25 2.995 -8.890 4.404 1.00 54.32 C ATOM 0 H VAL B 25 5.158 -7.347 5.063 1.00 0.30 H new ATOM 0 HA VAL B 25 5.419 -10.133 4.819 1.00 44.43 H new ATOM 0 HB VAL B 25 4.297 -8.069 2.876 1.00 41.34 H new ATOM 0 HG11 VAL B 25 3.000 -9.917 1.849 1.00 24.20 H new ATOM 0 HG12 VAL B 25 4.755 -10.132 1.646 1.00 24.20 H new ATOM 0 HG13 VAL B 25 3.876 -11.086 2.865 1.00 24.20 H new ATOM 0 HG21 VAL B 25 2.076 -8.735 3.839 1.00 54.32 H new ATOM 0 HG22 VAL B 25 2.912 -9.807 4.987 1.00 54.32 H new ATOM 0 HG23 VAL B 25 3.155 -8.046 5.075 1.00 54.32 H new ATOM 2205 N THR B 26 7.272 -8.354 2.702 1.00 31.22 N ATOM 2206 CA THR B 26 8.413 -8.399 1.765 1.00 43.53 C ATOM 2207 C THR B 26 9.675 -9.018 2.417 1.00 43.12 C ATOM 2208 O THR B 26 10.246 -9.965 1.864 1.00 54.54 O ATOM 2209 CB THR B 26 8.735 -6.974 1.215 1.00 13.22 C ATOM 2210 OG1 THR B 26 7.582 -6.451 0.526 1.00 14.25 O ATOM 2211 CG2 THR B 26 9.949 -6.957 0.264 1.00 21.32 C ATOM 0 H THR B 26 6.938 -7.410 2.895 1.00 31.22 H new ATOM 0 HA THR B 26 8.120 -9.041 0.935 1.00 43.53 H new ATOM 0 HB THR B 26 8.988 -6.351 2.073 1.00 13.22 H new ATOM 0 HG1 THR B 26 7.752 -5.523 0.261 1.00 14.25 H new ATOM 0 HG21 THR B 26 10.123 -5.939 -0.085 1.00 21.32 H new ATOM 0 HG22 THR B 26 10.832 -7.315 0.794 1.00 21.32 H new ATOM 0 HG23 THR B 26 9.751 -7.605 -0.590 1.00 21.32 H new ATOM 2219 N ILE B 27 10.082 -8.490 3.602 1.00 62.12 N ATOM 2220 CA ILE B 27 11.284 -8.973 4.328 1.00 52.54 C ATOM 2221 C ILE B 27 11.117 -10.459 4.701 1.00 22.44 C ATOM 2222 O ILE B 27 12.026 -11.266 4.471 1.00 73.54 O ATOM 2223 CB ILE B 27 11.591 -8.111 5.616 1.00 74.24 C ATOM 2224 CG1 ILE B 27 11.912 -6.628 5.226 1.00 33.13 C ATOM 2225 CG2 ILE B 27 12.749 -8.724 6.458 1.00 15.04 C ATOM 2226 CD1 ILE B 27 12.202 -5.706 6.407 1.00 12.40 C ATOM 0 H ILE B 27 9.593 -7.729 4.074 1.00 62.12 H new ATOM 0 HA ILE B 27 12.137 -8.863 3.658 1.00 52.54 H new ATOM 0 HB ILE B 27 10.696 -8.120 6.238 1.00 74.24 H new ATOM 0 HG12 ILE B 27 12.773 -6.621 4.557 1.00 33.13 H new ATOM 0 HG13 ILE B 27 11.069 -6.224 4.665 1.00 33.13 H new ATOM 0 HG21 ILE B 27 12.930 -8.102 7.335 1.00 15.04 H new ATOM 0 HG22 ILE B 27 12.474 -9.730 6.776 1.00 15.04 H new ATOM 0 HG23 ILE B 27 13.654 -8.770 5.853 1.00 15.04 H new ATOM 0 HD11 ILE B 27 12.413 -4.701 6.041 1.00 12.40 H new ATOM 0 HD12 ILE B 27 11.335 -5.677 7.067 1.00 12.40 H new ATOM 0 HD13 ILE B 27 13.065 -6.080 6.957 1.00 12.40 H new ATOM 2238 N LYS B 28 9.918 -10.799 5.217 1.00 5.44 N ATOM 2239 CA LYS B 28 9.548 -12.168 5.611 1.00 33.31 C ATOM 2240 C LYS B 28 9.717 -13.137 4.426 1.00 33.43 C ATOM 2241 O LYS B 28 10.437 -14.126 4.538 1.00 31.43 O ATOM 2242 CB LYS B 28 8.078 -12.194 6.102 1.00 23.41 C ATOM 2243 CG LYS B 28 7.590 -13.565 6.630 1.00 34.12 C ATOM 2244 CD LYS B 28 6.069 -13.602 6.905 1.00 11.24 C ATOM 2245 CE LYS B 28 5.233 -13.315 5.643 1.00 25.32 C ATOM 2246 NZ LYS B 28 5.499 -14.301 4.565 1.00 42.44 N ATOM 0 H LYS B 28 9.173 -10.120 5.372 1.00 5.44 H new ATOM 0 HA LYS B 28 10.207 -12.487 6.419 1.00 33.31 H new ATOM 0 HB2 LYS B 28 7.962 -11.454 6.894 1.00 23.41 H new ATOM 0 HB3 LYS B 28 7.431 -11.886 5.281 1.00 23.41 H new ATOM 0 HG2 LYS B 28 7.841 -14.338 5.903 1.00 34.12 H new ATOM 0 HG3 LYS B 28 8.125 -13.805 7.549 1.00 34.12 H new ATOM 0 HD2 LYS B 28 5.799 -14.581 7.301 1.00 11.24 H new ATOM 0 HD3 LYS B 28 5.824 -12.869 7.673 1.00 11.24 H new ATOM 0 HE2 LYS B 28 4.173 -13.333 5.898 1.00 25.32 H new ATOM 0 HE3 LYS B 28 5.456 -12.312 5.280 1.00 25.32 H new ATOM 0 HZ1 LYS B 28 5.780 -13.800 3.698 1.00 42.44 H new ATOM 0 HZ2 LYS B 28 6.265 -14.939 4.860 1.00 42.44 H new ATOM 0 HZ3 LYS B 28 4.638 -14.855 4.381 1.00 42.44 H new ATOM 2260 N ASN B 29 9.084 -12.784 3.278 1.00 33.34 N ATOM 2261 CA ASN B 29 9.073 -13.624 2.059 1.00 32.54 C ATOM 2262 C ASN B 29 10.497 -13.876 1.546 1.00 44.33 C ATOM 2263 O ASN B 29 10.792 -14.978 1.101 1.00 21.25 O ATOM 2264 CB ASN B 29 8.231 -12.995 0.911 1.00 25.31 C ATOM 2265 CG ASN B 29 6.735 -12.890 1.199 1.00 54.45 C ATOM 2266 OD1 ASN B 29 6.188 -13.611 2.023 1.00 14.41 O ATOM 2267 ND2 ASN B 29 6.055 -12.001 0.489 1.00 12.04 N ATOM 0 H ASN B 29 8.569 -11.910 3.174 1.00 33.34 H new ATOM 0 HA ASN B 29 8.612 -14.568 2.350 1.00 32.54 H new ATOM 0 HB2 ASN B 29 8.617 -11.998 0.700 1.00 25.31 H new ATOM 0 HB3 ASN B 29 8.372 -13.589 0.008 1.00 25.31 H new ATOM 0 HD21 ASN B 29 5.048 -11.904 0.622 1.00 12.04 H new ATOM 0 HD22 ASN B 29 6.538 -11.414 -0.191 1.00 12.04 H new ATOM 2274 N MET B 30 11.361 -12.842 1.621 1.00 40.01 N ATOM 2275 CA MET B 30 12.754 -12.924 1.133 1.00 12.14 C ATOM 2276 C MET B 30 13.599 -13.872 2.008 1.00 74.14 C ATOM 2277 O MET B 30 14.390 -14.655 1.480 1.00 52.12 O ATOM 2278 CB MET B 30 13.403 -11.512 1.046 1.00 21.44 C ATOM 2279 CG MET B 30 12.795 -10.596 -0.032 1.00 71.15 C ATOM 2280 SD MET B 30 13.676 -9.026 -0.206 1.00 74.11 S ATOM 2281 CE MET B 30 13.480 -8.282 1.417 1.00 55.41 C ATOM 0 H MET B 30 11.116 -11.935 2.018 1.00 40.01 H new ATOM 0 HA MET B 30 12.727 -13.340 0.126 1.00 12.14 H new ATOM 0 HB2 MET B 30 13.310 -11.023 2.016 1.00 21.44 H new ATOM 0 HB3 MET B 30 14.469 -11.627 0.848 1.00 21.44 H new ATOM 0 HG2 MET B 30 12.801 -11.117 -0.989 1.00 71.15 H new ATOM 0 HG3 MET B 30 11.753 -10.396 0.215 1.00 71.15 H new ATOM 0 HE1 MET B 30 13.869 -7.264 1.400 1.00 55.41 H new ATOM 0 HE2 MET B 30 12.423 -8.263 1.683 1.00 55.41 H new ATOM 0 HE3 MET B 30 14.029 -8.868 2.154 1.00 55.41 H new ATOM 2291 N ILE B 31 13.393 -13.813 3.343 1.00 12.11 N ATOM 2292 CA ILE B 31 14.081 -14.708 4.302 1.00 62.03 C ATOM 2293 C ILE B 31 13.653 -16.174 4.046 1.00 5.24 C ATOM 2294 O ILE B 31 14.495 -17.069 4.014 1.00 21.45 O ATOM 2295 CB ILE B 31 13.781 -14.304 5.802 1.00 0.34 C ATOM 2296 CG1 ILE B 31 14.278 -12.848 6.094 1.00 60.33 C ATOM 2297 CG2 ILE B 31 14.417 -15.309 6.808 1.00 74.23 C ATOM 2298 CD1 ILE B 31 13.936 -12.319 7.483 1.00 14.21 C ATOM 0 H ILE B 31 12.753 -13.152 3.783 1.00 12.11 H new ATOM 0 HA ILE B 31 15.155 -14.607 4.146 1.00 62.03 H new ATOM 0 HB ILE B 31 12.700 -14.339 5.939 1.00 0.34 H new ATOM 0 HG12 ILE B 31 15.360 -12.816 5.965 1.00 60.33 H new ATOM 0 HG13 ILE B 31 13.849 -12.177 5.350 1.00 60.33 H new ATOM 0 HG21 ILE B 31 14.189 -14.997 7.827 1.00 74.23 H new ATOM 0 HG22 ILE B 31 14.010 -16.305 6.634 1.00 74.23 H new ATOM 0 HG23 ILE B 31 15.498 -15.329 6.668 1.00 74.23 H new ATOM 0 HD11 ILE B 31 14.321 -11.305 7.591 1.00 14.21 H new ATOM 0 HD12 ILE B 31 12.854 -12.312 7.613 1.00 14.21 H new ATOM 0 HD13 ILE B 31 14.388 -12.961 8.239 1.00 14.21 H new ATOM 2310 N GLU B 32 12.341 -16.371 3.803 1.00 22.44 N ATOM 2311 CA GLU B 32 11.732 -17.701 3.556 1.00 0.13 C ATOM 2312 C GLU B 32 12.118 -18.254 2.170 1.00 21.30 C ATOM 2313 O GLU B 32 12.243 -19.471 1.994 1.00 1.35 O ATOM 2314 CB GLU B 32 10.188 -17.606 3.685 1.00 31.30 C ATOM 2315 CG GLU B 32 9.695 -17.152 5.076 1.00 25.22 C ATOM 2316 CD GLU B 32 8.179 -16.893 5.133 1.00 4.22 C ATOM 2317 OE1 GLU B 32 7.475 -17.495 5.978 1.00 30.24 O ATOM 2318 OE2 GLU B 32 7.689 -16.076 4.329 1.00 11.04 O ATOM 0 H GLU B 32 11.666 -15.607 3.772 1.00 22.44 H new ATOM 0 HA GLU B 32 12.117 -18.392 4.306 1.00 0.13 H new ATOM 0 HB2 GLU B 32 9.814 -16.909 2.934 1.00 31.30 H new ATOM 0 HB3 GLU B 32 9.755 -18.581 3.459 1.00 31.30 H new ATOM 0 HG2 GLU B 32 9.954 -17.914 5.811 1.00 25.22 H new ATOM 0 HG3 GLU B 32 10.223 -16.242 5.361 1.00 25.22 H new ATOM 2325 N ASP B 33 12.308 -17.335 1.204 1.00 21.54 N ATOM 2326 CA ASP B 33 12.658 -17.659 -0.201 1.00 1.23 C ATOM 2327 C ASP B 33 14.091 -18.208 -0.284 1.00 74.12 C ATOM 2328 O ASP B 33 14.389 -19.106 -1.082 1.00 74.21 O ATOM 2329 CB ASP B 33 12.507 -16.389 -1.083 1.00 73.42 C ATOM 2330 CG ASP B 33 12.865 -16.603 -2.564 1.00 50.43 C ATOM 2331 OD1 ASP B 33 12.039 -17.168 -3.310 1.00 1.23 O ATOM 2332 OD2 ASP B 33 13.961 -16.181 -2.994 1.00 24.01 O ATOM 0 H ASP B 33 12.223 -16.333 1.375 1.00 21.54 H new ATOM 0 HA ASP B 33 11.979 -18.428 -0.569 1.00 1.23 H new ATOM 0 HB2 ASP B 33 11.478 -16.035 -1.017 1.00 73.42 H new ATOM 0 HB3 ASP B 33 13.142 -15.601 -0.678 1.00 73.42 H new ATOM 2337 N ILE B 34 14.961 -17.644 0.557 1.00 51.20 N ATOM 2338 CA ILE B 34 16.344 -18.107 0.738 1.00 31.10 C ATOM 2339 C ILE B 34 16.367 -19.329 1.694 1.00 65.11 C ATOM 2340 O ILE B 34 17.223 -20.208 1.579 1.00 62.42 O ATOM 2341 CB ILE B 34 17.238 -16.925 1.284 1.00 54.43 C ATOM 2342 CG1 ILE B 34 17.190 -15.715 0.288 1.00 34.14 C ATOM 2343 CG2 ILE B 34 18.697 -17.373 1.540 1.00 23.31 C ATOM 2344 CD1 ILE B 34 17.938 -14.472 0.748 1.00 41.41 C ATOM 0 H ILE B 34 14.724 -16.842 1.141 1.00 51.20 H new ATOM 0 HA ILE B 34 16.756 -18.422 -0.221 1.00 31.10 H new ATOM 0 HB ILE B 34 16.830 -16.611 2.245 1.00 54.43 H new ATOM 0 HG12 ILE B 34 17.602 -16.035 -0.669 1.00 34.14 H new ATOM 0 HG13 ILE B 34 16.147 -15.449 0.113 1.00 34.14 H new ATOM 0 HG21 ILE B 34 19.276 -16.529 1.915 1.00 23.31 H new ATOM 0 HG22 ILE B 34 18.707 -18.176 2.277 1.00 23.31 H new ATOM 0 HG23 ILE B 34 19.137 -17.730 0.609 1.00 23.31 H new ATOM 0 HD11 ILE B 34 17.846 -13.692 -0.008 1.00 41.41 H new ATOM 0 HD12 ILE B 34 17.514 -14.119 1.688 1.00 41.41 H new ATOM 0 HD13 ILE B 34 18.991 -14.714 0.894 1.00 41.41 H new ATOM 2356 N GLY B 35 15.372 -19.390 2.594 1.00 63.35 N ATOM 2357 CA GLY B 35 15.263 -20.443 3.608 1.00 75.13 C ATOM 2358 C GLY B 35 15.394 -19.841 4.996 1.00 4.24 C ATOM 2359 O GLY B 35 14.441 -19.863 5.791 1.00 45.34 O ATOM 0 H GLY B 35 14.618 -18.704 2.636 1.00 63.35 H new ATOM 0 HA2 GLY B 35 14.305 -20.954 3.513 1.00 75.13 H new ATOM 0 HA3 GLY B 35 16.040 -21.192 3.452 1.00 75.13 H new ATOM 2363 N GLU B 36 16.583 -19.276 5.263 1.00 53.32 N ATOM 2364 CA GLU B 36 16.885 -18.511 6.477 1.00 4.40 C ATOM 2365 C GLU B 36 18.162 -17.689 6.219 1.00 50.32 C ATOM 2366 O GLU B 36 19.280 -18.215 6.298 1.00 20.21 O ATOM 2367 CB GLU B 36 17.058 -19.446 7.708 1.00 21.25 C ATOM 2368 CG GLU B 36 17.288 -18.707 9.041 1.00 50.30 C ATOM 2369 CD GLU B 36 17.412 -19.654 10.248 1.00 61.52 C ATOM 2370 OE1 GLU B 36 18.538 -20.072 10.586 1.00 11.14 O ATOM 2371 OE2 GLU B 36 16.376 -20.000 10.849 1.00 4.21 O ATOM 0 H GLU B 36 17.376 -19.342 4.625 1.00 53.32 H new ATOM 0 HA GLU B 36 16.054 -17.844 6.708 1.00 4.40 H new ATOM 0 HB2 GLU B 36 16.170 -20.071 7.802 1.00 21.25 H new ATOM 0 HB3 GLU B 36 17.900 -20.114 7.527 1.00 21.25 H new ATOM 0 HG2 GLU B 36 18.195 -18.107 8.964 1.00 50.30 H new ATOM 0 HG3 GLU B 36 16.462 -18.017 9.213 1.00 50.30 H new ATOM 2378 N SER B 37 17.986 -16.411 5.858 1.00 12.32 N ATOM 2379 CA SER B 37 19.099 -15.516 5.533 1.00 33.32 C ATOM 2380 C SER B 37 19.788 -15.015 6.824 1.00 32.33 C ATOM 2381 O SER B 37 19.237 -14.171 7.541 1.00 5.34 O ATOM 2382 CB SER B 37 18.584 -14.333 4.678 1.00 41.13 C ATOM 2383 OG SER B 37 19.639 -13.472 4.276 1.00 10.12 O ATOM 0 H SER B 37 17.069 -15.971 5.784 1.00 12.32 H new ATOM 0 HA SER B 37 19.842 -16.064 4.954 1.00 33.32 H new ATOM 0 HB2 SER B 37 18.073 -14.718 3.795 1.00 41.13 H new ATOM 0 HB3 SER B 37 17.849 -13.765 5.249 1.00 41.13 H new ATOM 0 HG SER B 37 19.929 -12.932 5.040 1.00 10.12 H new ATOM 2389 N ASP B 38 20.968 -15.593 7.128 1.00 50.10 N ATOM 2390 CA ASP B 38 21.870 -15.104 8.197 1.00 60.44 C ATOM 2391 C ASP B 38 22.578 -13.821 7.730 1.00 12.05 C ATOM 2392 O ASP B 38 23.001 -12.995 8.544 1.00 3.52 O ATOM 2393 CB ASP B 38 22.933 -16.187 8.570 1.00 31.42 C ATOM 2394 CG ASP B 38 23.977 -16.482 7.473 1.00 5.41 C ATOM 2395 OD1 ASP B 38 25.197 -16.398 7.748 1.00 23.11 O ATOM 2396 OD2 ASP B 38 23.585 -16.791 6.335 1.00 15.30 O ATOM 0 H ASP B 38 21.325 -16.414 6.639 1.00 50.10 H new ATOM 0 HA ASP B 38 21.271 -14.891 9.083 1.00 60.44 H new ATOM 0 HB2 ASP B 38 23.456 -15.866 9.471 1.00 31.42 H new ATOM 0 HB3 ASP B 38 22.414 -17.114 8.816 1.00 31.42 H new ATOM 2401 N SER B 39 22.717 -13.708 6.397 1.00 20.24 N ATOM 2402 CA SER B 39 23.336 -12.568 5.720 1.00 2.32 C ATOM 2403 C SER B 39 22.407 -11.328 5.778 1.00 54.15 C ATOM 2404 O SER B 39 21.179 -11.483 5.813 1.00 51.03 O ATOM 2405 CB SER B 39 23.638 -12.967 4.255 1.00 1.44 C ATOM 2406 OG SER B 39 24.456 -14.125 4.194 1.00 34.53 O ATOM 0 H SER B 39 22.392 -14.427 5.751 1.00 20.24 H new ATOM 0 HA SER B 39 24.266 -12.301 6.222 1.00 2.32 H new ATOM 0 HB2 SER B 39 22.703 -13.151 3.726 1.00 1.44 H new ATOM 0 HB3 SER B 39 24.135 -12.141 3.746 1.00 1.44 H new ATOM 0 HG SER B 39 24.629 -14.354 3.257 1.00 34.53 H new ATOM 2412 N PRO B 40 22.978 -10.082 5.820 1.00 14.12 N ATOM 2413 CA PRO B 40 22.177 -8.831 5.861 1.00 60.11 C ATOM 2414 C PRO B 40 21.446 -8.552 4.522 1.00 73.51 C ATOM 2415 O PRO B 40 21.979 -8.860 3.449 1.00 40.33 O ATOM 2416 CB PRO B 40 23.249 -7.757 6.158 1.00 34.10 C ATOM 2417 CG PRO B 40 24.515 -8.308 5.585 1.00 51.12 C ATOM 2418 CD PRO B 40 24.447 -9.793 5.836 1.00 75.00 C ATOM 0 HA PRO B 40 21.375 -8.865 6.598 1.00 60.11 H new ATOM 0 HB2 PRO B 40 22.990 -6.803 5.699 1.00 34.10 H new ATOM 0 HB3 PRO B 40 23.345 -7.580 7.229 1.00 34.10 H new ATOM 0 HG2 PRO B 40 24.592 -8.092 4.520 1.00 51.12 H new ATOM 0 HG3 PRO B 40 25.389 -7.867 6.064 1.00 51.12 H new ATOM 0 HD2 PRO B 40 24.975 -10.355 5.066 1.00 75.00 H new ATOM 0 HD3 PRO B 40 24.898 -10.060 6.792 1.00 75.00 H new ATOM 2426 N ILE B 41 20.221 -7.992 4.596 1.00 34.14 N ATOM 2427 CA ILE B 41 19.431 -7.618 3.407 1.00 14.52 C ATOM 2428 C ILE B 41 19.427 -6.071 3.283 1.00 1.42 C ATOM 2429 O ILE B 41 18.710 -5.398 4.038 1.00 13.23 O ATOM 2430 CB ILE B 41 17.937 -8.166 3.438 1.00 33.34 C ATOM 2431 CG1 ILE B 41 17.860 -9.739 3.590 1.00 43.01 C ATOM 2432 CG2 ILE B 41 17.155 -7.702 2.175 1.00 61.32 C ATOM 2433 CD1 ILE B 41 18.113 -10.282 4.996 1.00 52.32 C ATOM 0 H ILE B 41 19.754 -7.787 5.479 1.00 34.14 H new ATOM 0 HA ILE B 41 19.903 -8.082 2.541 1.00 14.52 H new ATOM 0 HB ILE B 41 17.469 -7.741 4.326 1.00 33.34 H new ATOM 0 HG12 ILE B 41 16.873 -10.069 3.265 1.00 43.01 H new ATOM 0 HG13 ILE B 41 18.586 -10.187 2.911 1.00 43.01 H new ATOM 0 HG21 ILE B 41 16.136 -8.087 2.216 1.00 61.32 H new ATOM 0 HG22 ILE B 41 17.130 -6.613 2.142 1.00 61.32 H new ATOM 0 HG23 ILE B 41 17.650 -8.080 1.281 1.00 61.32 H new ATOM 0 HD11 ILE B 41 18.036 -11.369 4.985 1.00 52.32 H new ATOM 0 HD12 ILE B 41 19.111 -9.992 5.324 1.00 52.32 H new ATOM 0 HD13 ILE B 41 17.372 -9.872 5.683 1.00 52.32 H new ATOM 2445 N PRO B 42 20.259 -5.479 2.363 1.00 53.20 N ATOM 2446 CA PRO B 42 20.270 -4.022 2.111 1.00 61.11 C ATOM 2447 C PRO B 42 18.989 -3.571 1.379 1.00 43.22 C ATOM 2448 O PRO B 42 18.691 -4.050 0.285 1.00 62.13 O ATOM 2449 CB PRO B 42 21.547 -3.796 1.238 1.00 10.22 C ATOM 2450 CG PRO B 42 22.306 -5.096 1.302 1.00 1.13 C ATOM 2451 CD PRO B 42 21.262 -6.167 1.510 1.00 13.15 C ATOM 0 HA PRO B 42 20.292 -3.437 3.031 1.00 61.11 H new ATOM 0 HB2 PRO B 42 21.282 -3.545 0.211 1.00 10.22 H new ATOM 0 HB3 PRO B 42 22.146 -2.971 1.623 1.00 10.22 H new ATOM 0 HG2 PRO B 42 22.866 -5.268 0.383 1.00 1.13 H new ATOM 0 HG3 PRO B 42 23.028 -5.089 2.119 1.00 1.13 H new ATOM 0 HD2 PRO B 42 20.831 -6.502 0.567 1.00 13.15 H new ATOM 0 HD3 PRO B 42 21.676 -7.047 2.001 1.00 13.15 H new ATOM 2459 N LEU B 43 18.228 -2.688 2.026 1.00 12.05 N ATOM 2460 CA LEU B 43 17.007 -2.076 1.481 1.00 4.31 C ATOM 2461 C LEU B 43 17.342 -0.661 0.934 1.00 3.52 C ATOM 2462 O LEU B 43 17.329 0.319 1.696 1.00 71.30 O ATOM 2463 CB LEU B 43 15.938 -2.018 2.608 1.00 21.23 C ATOM 2464 CG LEU B 43 15.582 -3.377 3.300 1.00 52.33 C ATOM 2465 CD1 LEU B 43 14.603 -3.163 4.473 1.00 22.01 C ATOM 2466 CD2 LEU B 43 15.031 -4.409 2.283 1.00 64.42 C ATOM 0 H LEU B 43 18.446 -2.367 2.969 1.00 12.05 H new ATOM 0 HA LEU B 43 16.609 -2.666 0.656 1.00 4.31 H new ATOM 0 HB2 LEU B 43 16.286 -1.325 3.374 1.00 21.23 H new ATOM 0 HB3 LEU B 43 15.023 -1.597 2.190 1.00 21.23 H new ATOM 0 HG LEU B 43 16.505 -3.789 3.708 1.00 52.33 H new ATOM 0 HD11 LEU B 43 14.373 -4.123 4.935 1.00 22.01 H new ATOM 0 HD12 LEU B 43 15.059 -2.505 5.212 1.00 22.01 H new ATOM 0 HD13 LEU B 43 13.684 -2.710 4.102 1.00 22.01 H new ATOM 0 HD21 LEU B 43 14.795 -5.339 2.800 1.00 64.42 H new ATOM 0 HD22 LEU B 43 14.128 -4.014 1.817 1.00 64.42 H new ATOM 0 HD23 LEU B 43 15.781 -4.600 1.516 1.00 64.42 H new ATOM 2478 N PRO B 44 17.671 -0.525 -0.398 1.00 12.42 N ATOM 2479 CA PRO B 44 18.197 0.740 -0.976 1.00 63.30 C ATOM 2480 C PRO B 44 17.105 1.765 -1.363 1.00 74.34 C ATOM 2481 O PRO B 44 17.433 2.857 -1.842 1.00 32.32 O ATOM 2482 CB PRO B 44 18.960 0.232 -2.221 1.00 62.24 C ATOM 2483 CG PRO B 44 18.136 -0.931 -2.702 1.00 42.13 C ATOM 2484 CD PRO B 44 17.567 -1.589 -1.450 1.00 44.43 C ATOM 0 HA PRO B 44 18.804 1.294 -0.261 1.00 63.30 H new ATOM 0 HB2 PRO B 44 19.041 1.007 -2.984 1.00 62.24 H new ATOM 0 HB3 PRO B 44 19.975 -0.075 -1.970 1.00 62.24 H new ATOM 0 HG2 PRO B 44 17.337 -0.596 -3.364 1.00 42.13 H new ATOM 0 HG3 PRO B 44 18.746 -1.634 -3.269 1.00 42.13 H new ATOM 0 HD2 PRO B 44 16.534 -1.903 -1.599 1.00 44.43 H new ATOM 0 HD3 PRO B 44 18.134 -2.479 -1.175 1.00 44.43 H new ATOM 2492 N ASN B 45 15.826 1.410 -1.169 1.00 35.32 N ATOM 2493 CA ASN B 45 14.694 2.316 -1.471 1.00 31.23 C ATOM 2494 C ASN B 45 14.360 3.184 -0.247 1.00 33.42 C ATOM 2495 O ASN B 45 14.062 4.367 -0.383 1.00 61.32 O ATOM 2496 CB ASN B 45 13.441 1.513 -1.910 1.00 23.23 C ATOM 2497 CG ASN B 45 12.270 2.397 -2.384 1.00 45.25 C ATOM 2498 OD1 ASN B 45 12.467 3.447 -2.990 1.00 20.01 O ATOM 2499 ND2 ASN B 45 11.043 1.978 -2.113 1.00 64.51 N ATOM 0 H ASN B 45 15.543 0.501 -0.804 1.00 35.32 H new ATOM 0 HA ASN B 45 14.993 2.964 -2.295 1.00 31.23 H new ATOM 0 HB2 ASN B 45 13.720 0.834 -2.715 1.00 23.23 H new ATOM 0 HB3 ASN B 45 13.105 0.897 -1.076 1.00 23.23 H new ATOM 0 HD21 ASN B 45 10.238 2.531 -2.409 1.00 64.51 H new ATOM 0 HD22 ASN B 45 10.903 1.103 -1.608 1.00 64.51 H new ATOM 2506 N VAL B 46 14.426 2.580 0.950 1.00 0.02 N ATOM 2507 CA VAL B 46 14.024 3.239 2.208 1.00 3.24 C ATOM 2508 C VAL B 46 15.244 3.942 2.864 1.00 14.44 C ATOM 2509 O VAL B 46 16.346 3.392 2.893 1.00 33.13 O ATOM 2510 CB VAL B 46 13.364 2.194 3.194 1.00 54.02 C ATOM 2511 CG1 VAL B 46 14.349 1.072 3.595 1.00 60.22 C ATOM 2512 CG2 VAL B 46 12.765 2.890 4.439 1.00 11.40 C ATOM 0 H VAL B 46 14.758 1.624 1.076 1.00 0.02 H new ATOM 0 HA VAL B 46 13.278 4.002 1.983 1.00 3.24 H new ATOM 0 HB VAL B 46 12.544 1.721 2.653 1.00 54.02 H new ATOM 0 HG11 VAL B 46 13.853 0.377 4.273 1.00 60.22 H new ATOM 0 HG12 VAL B 46 14.675 0.538 2.703 1.00 60.22 H new ATOM 0 HG13 VAL B 46 15.215 1.509 4.093 1.00 60.22 H new ATOM 0 HG21 VAL B 46 12.320 2.142 5.095 1.00 11.40 H new ATOM 0 HG22 VAL B 46 13.553 3.419 4.974 1.00 11.40 H new ATOM 0 HG23 VAL B 46 11.999 3.600 4.126 1.00 11.40 H new ATOM 2522 N THR B 47 15.037 5.174 3.360 1.00 62.03 N ATOM 2523 CA THR B 47 16.078 5.956 4.065 1.00 43.04 C ATOM 2524 C THR B 47 16.179 5.505 5.541 1.00 12.02 C ATOM 2525 O THR B 47 15.289 4.807 6.030 1.00 53.02 O ATOM 2526 CB THR B 47 15.760 7.482 3.963 1.00 4.10 C ATOM 2527 OG1 THR B 47 14.423 7.733 4.425 1.00 14.53 O ATOM 2528 CG2 THR B 47 15.910 7.997 2.520 1.00 75.44 C ATOM 0 H THR B 47 14.143 5.660 3.285 1.00 62.03 H new ATOM 0 HA THR B 47 17.043 5.776 3.591 1.00 43.04 H new ATOM 0 HB THR B 47 16.476 8.014 4.589 1.00 4.10 H new ATOM 0 HG1 THR B 47 14.229 8.691 4.361 1.00 14.53 H new ATOM 0 HG21 THR B 47 15.681 9.062 2.488 1.00 75.44 H new ATOM 0 HG22 THR B 47 16.933 7.836 2.181 1.00 75.44 H new ATOM 0 HG23 THR B 47 15.222 7.458 1.868 1.00 75.44 H new ATOM 2536 N SER B 48 17.265 5.908 6.241 1.00 43.13 N ATOM 2537 CA SER B 48 17.576 5.415 7.606 1.00 4.14 C ATOM 2538 C SER B 48 16.540 5.871 8.635 1.00 24.31 C ATOM 2539 O SER B 48 16.100 5.072 9.459 1.00 11.31 O ATOM 2540 CB SER B 48 18.987 5.859 8.052 1.00 22.21 C ATOM 2541 OG SER B 48 19.130 7.265 8.051 1.00 20.14 O ATOM 0 H SER B 48 17.945 6.577 5.881 1.00 43.13 H new ATOM 0 HA SER B 48 17.545 4.327 7.557 1.00 4.14 H new ATOM 0 HB2 SER B 48 19.187 5.476 9.053 1.00 22.21 H new ATOM 0 HB3 SER B 48 19.731 5.419 7.388 1.00 22.21 H new ATOM 0 HG SER B 48 19.646 7.542 8.837 1.00 20.14 H new ATOM 2547 N THR B 49 16.160 7.155 8.551 1.00 10.54 N ATOM 2548 CA THR B 49 15.169 7.779 9.437 1.00 4.12 C ATOM 2549 C THR B 49 13.827 7.017 9.394 1.00 42.30 C ATOM 2550 O THR B 49 13.209 6.752 10.432 1.00 34.53 O ATOM 2551 CB THR B 49 14.951 9.267 9.002 1.00 33.40 C ATOM 2552 OG1 THR B 49 16.216 9.947 8.951 1.00 11.44 O ATOM 2553 CG2 THR B 49 13.998 10.032 9.944 1.00 13.31 C ATOM 0 H THR B 49 16.539 7.797 7.855 1.00 10.54 H new ATOM 0 HA THR B 49 15.544 7.743 10.460 1.00 4.12 H new ATOM 0 HB THR B 49 14.486 9.246 8.016 1.00 33.40 H new ATOM 0 HG1 THR B 49 16.076 10.877 8.677 1.00 11.44 H new ATOM 0 HG21 THR B 49 13.885 11.058 9.593 1.00 13.31 H new ATOM 0 HG22 THR B 49 13.024 9.542 9.953 1.00 13.31 H new ATOM 0 HG23 THR B 49 14.411 10.038 10.953 1.00 13.31 H new ATOM 2561 N ILE B 50 13.434 6.631 8.171 1.00 54.12 N ATOM 2562 CA ILE B 50 12.154 5.972 7.900 1.00 71.12 C ATOM 2563 C ILE B 50 12.211 4.490 8.296 1.00 33.40 C ATOM 2564 O ILE B 50 11.302 4.000 8.953 1.00 60.51 O ATOM 2565 CB ILE B 50 11.754 6.149 6.392 1.00 74.53 C ATOM 2566 CG1 ILE B 50 11.652 7.666 6.047 1.00 42.10 C ATOM 2567 CG2 ILE B 50 10.433 5.416 6.050 1.00 1.04 C ATOM 2568 CD1 ILE B 50 10.600 8.428 6.838 1.00 14.42 C ATOM 0 H ILE B 50 14.003 6.770 7.336 1.00 54.12 H new ATOM 0 HA ILE B 50 11.383 6.445 8.508 1.00 71.12 H new ATOM 0 HB ILE B 50 12.534 5.694 5.782 1.00 74.53 H new ATOM 0 HG12 ILE B 50 12.623 8.130 6.219 1.00 42.10 H new ATOM 0 HG13 ILE B 50 11.433 7.769 4.984 1.00 42.10 H new ATOM 0 HG21 ILE B 50 10.196 5.566 4.997 1.00 1.04 H new ATOM 0 HG22 ILE B 50 10.546 4.350 6.248 1.00 1.04 H new ATOM 0 HG23 ILE B 50 9.626 5.815 6.664 1.00 1.04 H new ATOM 0 HD11 ILE B 50 10.601 9.474 6.531 1.00 14.42 H new ATOM 0 HD12 ILE B 50 9.618 7.995 6.648 1.00 14.42 H new ATOM 0 HD13 ILE B 50 10.826 8.362 7.902 1.00 14.42 H new ATOM 2580 N LEU B 51 13.311 3.806 7.945 1.00 55.42 N ATOM 2581 CA LEU B 51 13.484 2.369 8.245 1.00 22.33 C ATOM 2582 C LEU B 51 13.539 2.151 9.774 1.00 41.05 C ATOM 2583 O LEU B 51 12.986 1.186 10.286 1.00 2.35 O ATOM 2584 CB LEU B 51 14.759 1.804 7.554 1.00 51.40 C ATOM 2585 CG LEU B 51 14.958 0.251 7.646 1.00 52.30 C ATOM 2586 CD1 LEU B 51 13.728 -0.517 7.096 1.00 23.41 C ATOM 2587 CD2 LEU B 51 16.254 -0.193 6.933 1.00 32.42 C ATOM 0 H LEU B 51 14.099 4.224 7.451 1.00 55.42 H new ATOM 0 HA LEU B 51 12.627 1.825 7.847 1.00 22.33 H new ATOM 0 HB2 LEU B 51 14.733 2.086 6.501 1.00 51.40 H new ATOM 0 HB3 LEU B 51 15.631 2.289 7.992 1.00 51.40 H new ATOM 0 HG LEU B 51 15.056 0.001 8.702 1.00 52.30 H new ATOM 0 HD11 LEU B 51 13.903 -1.590 7.176 1.00 23.41 H new ATOM 0 HD12 LEU B 51 12.844 -0.249 7.674 1.00 23.41 H new ATOM 0 HD13 LEU B 51 13.572 -0.252 6.050 1.00 23.41 H new ATOM 0 HD21 LEU B 51 16.362 -1.274 7.015 1.00 32.42 H new ATOM 0 HD22 LEU B 51 16.205 0.088 5.881 1.00 32.42 H new ATOM 0 HD23 LEU B 51 17.111 0.294 7.399 1.00 32.42 H new ATOM 2599 N GLU B 52 14.165 3.111 10.471 1.00 10.02 N ATOM 2600 CA GLU B 52 14.299 3.118 11.938 1.00 22.33 C ATOM 2601 C GLU B 52 12.923 3.091 12.622 1.00 34.34 C ATOM 2602 O GLU B 52 12.622 2.194 13.425 1.00 11.41 O ATOM 2603 CB GLU B 52 15.057 4.407 12.362 1.00 21.54 C ATOM 2604 CG GLU B 52 15.278 4.575 13.877 1.00 31.35 C ATOM 2605 CD GLU B 52 15.928 5.921 14.233 1.00 72.31 C ATOM 2606 OE1 GLU B 52 15.200 6.926 14.378 1.00 53.32 O ATOM 2607 OE2 GLU B 52 17.166 5.986 14.359 1.00 71.32 O ATOM 0 H GLU B 52 14.600 3.918 10.025 1.00 10.02 H new ATOM 0 HA GLU B 52 14.849 2.228 12.245 1.00 22.33 H new ATOM 0 HB2 GLU B 52 16.028 4.417 11.867 1.00 21.54 H new ATOM 0 HB3 GLU B 52 14.503 5.271 11.995 1.00 21.54 H new ATOM 0 HG2 GLU B 52 14.321 4.490 14.392 1.00 31.35 H new ATOM 0 HG3 GLU B 52 15.908 3.764 14.241 1.00 31.35 H new ATOM 2614 N LYS B 53 12.085 4.059 12.236 1.00 43.14 N ATOM 2615 CA LYS B 53 10.804 4.329 12.897 1.00 52.41 C ATOM 2616 C LYS B 53 9.724 3.309 12.486 1.00 62.34 C ATOM 2617 O LYS B 53 8.837 3.003 13.282 1.00 24.11 O ATOM 2618 CB LYS B 53 10.364 5.785 12.592 1.00 1.20 C ATOM 2619 CG LYS B 53 10.057 6.084 11.105 1.00 60.22 C ATOM 2620 CD LYS B 53 9.840 7.584 10.774 1.00 31.33 C ATOM 2621 CE LYS B 53 8.738 8.266 11.616 1.00 44.03 C ATOM 2622 NZ LYS B 53 9.242 8.768 12.921 1.00 50.13 N ATOM 0 H LYS B 53 12.278 4.681 11.451 1.00 43.14 H new ATOM 0 HA LYS B 53 10.935 4.220 13.974 1.00 52.41 H new ATOM 0 HB2 LYS B 53 9.475 6.010 13.182 1.00 1.20 H new ATOM 0 HB3 LYS B 53 11.149 6.462 12.927 1.00 1.20 H new ATOM 0 HG2 LYS B 53 10.879 5.707 10.496 1.00 60.22 H new ATOM 0 HG3 LYS B 53 9.165 5.530 10.814 1.00 60.22 H new ATOM 0 HD2 LYS B 53 10.779 8.117 10.925 1.00 31.33 H new ATOM 0 HD3 LYS B 53 9.586 7.678 9.718 1.00 31.33 H new ATOM 0 HE2 LYS B 53 8.316 9.097 11.050 1.00 44.03 H new ATOM 0 HE3 LYS B 53 7.929 7.557 11.792 1.00 44.03 H new ATOM 0 HZ1 LYS B 53 8.628 8.424 13.686 1.00 50.13 H new ATOM 0 HZ2 LYS B 53 10.211 8.424 13.074 1.00 50.13 H new ATOM 0 HZ3 LYS B 53 9.240 9.808 12.917 1.00 50.13 H new ATOM 2636 N VAL B 54 9.806 2.801 11.235 1.00 23.33 N ATOM 2637 CA VAL B 54 8.863 1.793 10.697 1.00 24.01 C ATOM 2638 C VAL B 54 9.071 0.443 11.402 1.00 51.33 C ATOM 2639 O VAL B 54 8.097 -0.202 11.812 1.00 11.44 O ATOM 2640 CB VAL B 54 9.004 1.650 9.122 1.00 64.43 C ATOM 2641 CG1 VAL B 54 8.305 0.380 8.566 1.00 61.14 C ATOM 2642 CG2 VAL B 54 8.452 2.920 8.418 1.00 24.23 C ATOM 0 H VAL B 54 10.528 3.078 10.570 1.00 23.33 H new ATOM 0 HA VAL B 54 7.847 2.133 10.898 1.00 24.01 H new ATOM 0 HB VAL B 54 10.067 1.543 8.907 1.00 64.43 H new ATOM 0 HG11 VAL B 54 8.435 0.337 7.485 1.00 61.14 H new ATOM 0 HG12 VAL B 54 8.747 -0.507 9.021 1.00 61.14 H new ATOM 0 HG13 VAL B 54 7.241 0.417 8.802 1.00 61.14 H new ATOM 0 HG21 VAL B 54 8.554 2.811 7.338 1.00 24.23 H new ATOM 0 HG22 VAL B 54 7.400 3.049 8.672 1.00 24.23 H new ATOM 0 HG23 VAL B 54 9.014 3.793 8.749 1.00 24.23 H new ATOM 2652 N LEU B 55 10.345 0.042 11.560 1.00 33.20 N ATOM 2653 CA LEU B 55 10.712 -1.201 12.266 1.00 44.41 C ATOM 2654 C LEU B 55 10.333 -1.120 13.765 1.00 10.01 C ATOM 2655 O LEU B 55 9.919 -2.123 14.360 1.00 54.32 O ATOM 2656 CB LEU B 55 12.230 -1.504 12.099 1.00 34.42 C ATOM 2657 CG LEU B 55 12.717 -1.899 10.666 1.00 74.32 C ATOM 2658 CD1 LEU B 55 14.235 -2.189 10.661 1.00 32.30 C ATOM 2659 CD2 LEU B 55 11.912 -3.088 10.089 1.00 34.32 C ATOM 0 H LEU B 55 11.145 0.566 11.205 1.00 33.20 H new ATOM 0 HA LEU B 55 10.149 -2.020 11.818 1.00 44.41 H new ATOM 0 HB2 LEU B 55 12.789 -0.624 12.417 1.00 34.42 H new ATOM 0 HB3 LEU B 55 12.492 -2.312 12.782 1.00 34.42 H new ATOM 0 HG LEU B 55 12.534 -1.047 10.012 1.00 74.32 H new ATOM 0 HD11 LEU B 55 14.550 -2.461 9.654 1.00 32.30 H new ATOM 0 HD12 LEU B 55 14.776 -1.299 10.982 1.00 32.30 H new ATOM 0 HD13 LEU B 55 14.451 -3.011 11.343 1.00 32.30 H new ATOM 0 HD21 LEU B 55 12.283 -3.329 9.093 1.00 34.32 H new ATOM 0 HD22 LEU B 55 12.028 -3.955 10.739 1.00 34.32 H new ATOM 0 HD23 LEU B 55 10.858 -2.818 10.028 1.00 34.32 H new ATOM 2671 N ASP B 56 10.480 0.086 14.357 1.00 44.10 N ATOM 2672 CA ASP B 56 10.169 0.328 15.784 1.00 50.22 C ATOM 2673 C ASP B 56 8.642 0.400 16.027 1.00 14.11 C ATOM 2674 O ASP B 56 8.159 0.015 17.099 1.00 25.20 O ATOM 2675 CB ASP B 56 10.881 1.611 16.294 1.00 71.34 C ATOM 2676 CG ASP B 56 10.887 1.751 17.836 1.00 0.12 C ATOM 2677 OD1 ASP B 56 10.986 0.721 18.545 1.00 10.51 O ATOM 2678 OD2 ASP B 56 10.837 2.888 18.344 1.00 61.01 O ATOM 0 H ASP B 56 10.815 0.914 13.864 1.00 44.10 H new ATOM 0 HA ASP B 56 10.549 -0.519 16.356 1.00 50.22 H new ATOM 0 HB2 ASP B 56 11.910 1.612 15.934 1.00 71.34 H new ATOM 0 HB3 ASP B 56 10.392 2.483 15.861 1.00 71.34 H new ATOM 2683 N TYR B 57 7.888 0.903 15.024 1.00 45.42 N ATOM 2684 CA TYR B 57 6.408 0.892 15.053 1.00 2.01 C ATOM 2685 C TYR B 57 5.918 -0.564 15.047 1.00 73.31 C ATOM 2686 O TYR B 57 5.052 -0.944 15.847 1.00 34.05 O ATOM 2687 CB TYR B 57 5.810 1.668 13.839 1.00 75.20 C ATOM 2688 CG TYR B 57 4.266 1.582 13.718 1.00 73.34 C ATOM 2689 CD1 TYR B 57 3.645 0.550 12.988 1.00 73.11 C ATOM 2690 CD2 TYR B 57 3.435 2.498 14.366 1.00 33.13 C ATOM 2691 CE1 TYR B 57 2.275 0.446 12.910 1.00 30.11 C ATOM 2692 CE2 TYR B 57 2.057 2.400 14.277 1.00 72.20 C ATOM 2693 CZ TYR B 57 1.485 1.367 13.559 1.00 43.44 C ATOM 2694 OH TYR B 57 0.115 1.248 13.498 1.00 31.12 O ATOM 0 H TYR B 57 8.282 1.323 14.182 1.00 45.42 H new ATOM 0 HA TYR B 57 6.071 1.393 15.960 1.00 2.01 H new ATOM 0 HB2 TYR B 57 6.098 2.716 13.917 1.00 75.20 H new ATOM 0 HB3 TYR B 57 6.256 1.282 12.922 1.00 75.20 H new ATOM 0 HD1 TYR B 57 4.259 -0.177 12.477 1.00 73.11 H new ATOM 0 HD2 TYR B 57 3.874 3.296 14.946 1.00 33.13 H new ATOM 0 HE1 TYR B 57 1.822 -0.354 12.343 1.00 30.11 H new ATOM 0 HE2 TYR B 57 1.430 3.130 14.768 1.00 72.20 H new ATOM 0 HH TYR B 57 -0.293 1.813 14.187 1.00 31.12 H new ATOM 2704 N CYS B 58 6.487 -1.356 14.110 1.00 0.25 N ATOM 2705 CA CYS B 58 6.186 -2.787 13.966 1.00 2.32 C ATOM 2706 C CYS B 58 6.541 -3.548 15.255 1.00 55.13 C ATOM 2707 O CYS B 58 5.857 -4.497 15.615 1.00 31.55 O ATOM 2708 CB CYS B 58 6.932 -3.378 12.748 1.00 33.35 C ATOM 2709 SG CYS B 58 6.412 -2.671 11.165 1.00 74.44 S ATOM 0 H CYS B 58 7.169 -1.014 13.433 1.00 0.25 H new ATOM 0 HA CYS B 58 5.116 -2.900 13.794 1.00 2.32 H new ATOM 0 HB2 CYS B 58 8.002 -3.216 12.875 1.00 33.35 H new ATOM 0 HB3 CYS B 58 6.774 -4.456 12.724 1.00 33.35 H new ATOM 0 HG CYS B 58 6.951 -1.497 11.016 1.00 74.44 H new ATOM 2715 N ARG B 59 7.616 -3.096 15.952 1.00 14.20 N ATOM 2716 CA ARG B 59 8.021 -3.651 17.261 1.00 22.40 C ATOM 2717 C ARG B 59 6.883 -3.520 18.279 1.00 72.44 C ATOM 2718 O ARG B 59 6.475 -4.513 18.880 1.00 45.12 O ATOM 2719 CB ARG B 59 9.315 -2.971 17.789 1.00 40.42 C ATOM 2720 CG ARG B 59 9.684 -3.312 19.262 1.00 31.31 C ATOM 2721 CD ARG B 59 11.026 -2.704 19.698 1.00 23.53 C ATOM 2722 NE ARG B 59 12.156 -3.331 18.997 1.00 44.35 N ATOM 2723 CZ ARG B 59 13.007 -2.718 18.166 1.00 43.40 C ATOM 2724 NH1 ARG B 59 12.885 -1.416 17.895 1.00 35.33 N ATOM 2725 NH2 ARG B 59 13.985 -3.412 17.621 1.00 14.33 N ATOM 0 H ARG B 59 8.219 -2.343 15.622 1.00 14.20 H new ATOM 0 HA ARG B 59 8.238 -4.710 17.121 1.00 22.40 H new ATOM 0 HB2 ARG B 59 10.147 -3.259 17.146 1.00 40.42 H new ATOM 0 HB3 ARG B 59 9.202 -1.891 17.700 1.00 40.42 H new ATOM 0 HG2 ARG B 59 8.895 -2.950 19.922 1.00 31.31 H new ATOM 0 HG3 ARG B 59 9.726 -4.395 19.379 1.00 31.31 H new ATOM 0 HD2 ARG B 59 11.023 -1.632 19.499 1.00 23.53 H new ATOM 0 HD3 ARG B 59 11.150 -2.828 20.774 1.00 23.53 H new ATOM 0 HE ARG B 59 12.305 -4.327 19.159 1.00 44.35 H new ATOM 0 HH11 ARG B 59 12.135 -0.874 18.324 1.00 35.33 H new ATOM 0 HH12 ARG B 59 13.542 -0.964 17.259 1.00 35.33 H new ATOM 0 HH21 ARG B 59 14.087 -4.404 17.834 1.00 14.33 H new ATOM 0 HH22 ARG B 59 14.641 -2.957 16.986 1.00 14.33 H new ATOM 2739 N HIS B 60 6.356 -2.286 18.428 1.00 74.13 N ATOM 2740 CA HIS B 60 5.255 -1.995 19.364 1.00 2.32 C ATOM 2741 C HIS B 60 3.984 -2.793 18.999 1.00 15.24 C ATOM 2742 O HIS B 60 3.302 -3.320 19.881 1.00 52.22 O ATOM 2743 CB HIS B 60 4.943 -0.480 19.390 1.00 75.40 C ATOM 2744 CG HIS B 60 3.726 -0.146 20.221 1.00 34.11 C ATOM 2745 ND1 HIS B 60 2.498 0.112 19.663 1.00 41.42 N ATOM 2746 CD2 HIS B 60 3.537 -0.124 21.563 1.00 31.10 C ATOM 2747 CE1 HIS B 60 1.613 0.277 20.614 1.00 1.11 C ATOM 2748 NE2 HIS B 60 2.217 0.143 21.775 1.00 15.43 N ATOM 0 H HIS B 60 6.680 -1.471 17.907 1.00 74.13 H new ATOM 0 HA HIS B 60 5.578 -2.304 20.358 1.00 2.32 H new ATOM 0 HB2 HIS B 60 5.805 0.057 19.785 1.00 75.40 H new ATOM 0 HB3 HIS B 60 4.788 -0.128 18.370 1.00 75.40 H new ATOM 0 HD1 HIS B 60 2.305 0.167 18.663 1.00 41.42 H new ATOM 0 HD2 HIS B 60 4.289 -0.287 22.321 1.00 31.10 H new ATOM 0 HE1 HIS B 60 0.564 0.488 20.469 1.00 1.11 H new ATOM 2757 N HIS B 61 3.695 -2.873 17.689 1.00 53.53 N ATOM 2758 CA HIS B 61 2.488 -3.540 17.167 1.00 72.11 C ATOM 2759 C HIS B 61 2.610 -5.079 17.295 1.00 54.53 C ATOM 2760 O HIS B 61 1.604 -5.794 17.292 1.00 74.23 O ATOM 2761 CB HIS B 61 2.254 -3.122 15.687 1.00 43.14 C ATOM 2762 CG HIS B 61 0.856 -3.384 15.183 1.00 50.12 C ATOM 2763 ND1 HIS B 61 0.387 -4.637 14.844 1.00 24.02 N ATOM 2764 CD2 HIS B 61 -0.184 -2.537 14.994 1.00 30.00 C ATOM 2765 CE1 HIS B 61 -0.876 -4.544 14.473 1.00 55.33 C ATOM 2766 NE2 HIS B 61 -1.248 -3.282 14.558 1.00 61.45 N ATOM 0 H HIS B 61 4.291 -2.478 16.962 1.00 53.53 H new ATOM 0 HA HIS B 61 1.628 -3.226 17.759 1.00 72.11 H new ATOM 0 HB2 HIS B 61 2.472 -2.059 15.583 1.00 43.14 H new ATOM 0 HB3 HIS B 61 2.962 -3.657 15.054 1.00 43.14 H new ATOM 0 HD2 HIS B 61 -0.176 -1.469 15.157 1.00 30.00 H new ATOM 0 HE1 HIS B 61 -1.501 -5.365 14.153 1.00 55.33 H new ATOM 0 HE2 HIS B 61 -2.175 -2.920 14.336 1.00 61.45 H new ATOM 2775 N HIS B 62 3.862 -5.568 17.380 1.00 11.32 N ATOM 2776 CA HIS B 62 4.176 -6.997 17.586 1.00 73.41 C ATOM 2777 C HIS B 62 3.971 -7.375 19.061 1.00 34.43 C ATOM 2778 O HIS B 62 3.405 -8.426 19.374 1.00 74.11 O ATOM 2779 CB HIS B 62 5.642 -7.272 17.169 1.00 12.23 C ATOM 2780 CG HIS B 62 6.042 -8.717 17.151 1.00 65.43 C ATOM 2781 ND1 HIS B 62 5.917 -9.510 16.034 1.00 52.14 N ATOM 2782 CD2 HIS B 62 6.592 -9.502 18.102 1.00 21.02 C ATOM 2783 CE1 HIS B 62 6.371 -10.713 16.303 1.00 41.10 C ATOM 2784 NE2 HIS B 62 6.783 -10.733 17.549 1.00 21.14 N ATOM 0 H HIS B 62 4.691 -4.979 17.307 1.00 11.32 H new ATOM 0 HA HIS B 62 3.508 -7.602 16.973 1.00 73.41 H new ATOM 0 HB2 HIS B 62 5.804 -6.855 16.175 1.00 12.23 H new ATOM 0 HB3 HIS B 62 6.303 -6.737 17.851 1.00 12.23 H new ATOM 0 HD2 HIS B 62 6.835 -9.209 19.113 1.00 21.02 H new ATOM 0 HE1 HIS B 62 6.400 -11.545 15.615 1.00 41.10 H new ATOM 0 HE2 HIS B 62 7.182 -11.541 18.027 1.00 21.14 H new ATOM 2793 N GLN B 63 4.454 -6.493 19.948 1.00 13.40 N ATOM 2794 CA GLN B 63 4.395 -6.674 21.411 1.00 42.21 C ATOM 2795 C GLN B 63 2.955 -6.530 21.920 1.00 44.21 C ATOM 2796 O GLN B 63 2.541 -7.219 22.857 1.00 23.54 O ATOM 2797 CB GLN B 63 5.305 -5.620 22.089 1.00 11.15 C ATOM 2798 CG GLN B 63 6.805 -5.752 21.736 1.00 24.55 C ATOM 2799 CD GLN B 63 7.638 -4.534 22.148 1.00 50.41 C ATOM 2800 OE1 GLN B 63 7.158 -3.400 22.136 1.00 34.21 O ATOM 2801 NE2 GLN B 63 8.888 -4.754 22.516 1.00 62.32 N ATOM 0 H GLN B 63 4.903 -5.621 19.668 1.00 13.40 H new ATOM 0 HA GLN B 63 4.743 -7.677 21.659 1.00 42.21 H new ATOM 0 HB2 GLN B 63 4.963 -4.625 21.804 1.00 11.15 H new ATOM 0 HB3 GLN B 63 5.190 -5.699 23.170 1.00 11.15 H new ATOM 0 HG2 GLN B 63 7.208 -6.640 22.223 1.00 24.55 H new ATOM 0 HG3 GLN B 63 6.905 -5.905 20.661 1.00 24.55 H new ATOM 0 HE21 GLN B 63 9.260 -5.704 22.517 1.00 62.32 H new ATOM 0 HE22 GLN B 63 9.481 -3.974 22.800 1.00 62.32 H new ATOM 2810 N HIS B 64 2.209 -5.618 21.285 1.00 20.41 N ATOM 2811 CA HIS B 64 0.802 -5.340 21.601 1.00 2.15 C ATOM 2812 C HIS B 64 -0.033 -5.471 20.317 1.00 30.42 C ATOM 2813 O HIS B 64 -0.167 -4.498 19.560 1.00 23.20 O ATOM 2814 CB HIS B 64 0.650 -3.935 22.248 1.00 44.33 C ATOM 2815 CG HIS B 64 1.276 -3.829 23.615 1.00 71.53 C ATOM 2816 ND1 HIS B 64 0.567 -4.016 24.781 1.00 3.14 N ATOM 2817 CD2 HIS B 64 2.549 -3.571 23.993 1.00 13.24 C ATOM 2818 CE1 HIS B 64 1.374 -3.873 25.811 1.00 64.02 C ATOM 2819 NE2 HIS B 64 2.581 -3.603 25.359 1.00 1.02 N ATOM 0 H HIS B 64 2.572 -5.043 20.525 1.00 20.41 H new ATOM 0 HA HIS B 64 0.437 -6.064 22.330 1.00 2.15 H new ATOM 0 HB2 HIS B 64 1.102 -3.191 21.592 1.00 44.33 H new ATOM 0 HB3 HIS B 64 -0.410 -3.692 22.323 1.00 44.33 H new ATOM 0 HD2 HIS B 64 3.385 -3.376 23.337 1.00 13.24 H new ATOM 0 HE1 HIS B 64 1.094 -3.962 26.850 1.00 64.02 H new ATOM 0 HE2 HIS B 64 3.407 -3.443 25.936 1.00 1.02 H new ATOM 2917 N ILE B 73 -5.370 5.259 21.092 1.00 34.21 N ATOM 2918 CA ILE B 73 -4.212 5.931 20.489 1.00 34.41 C ATOM 2919 C ILE B 73 -2.980 5.785 21.418 1.00 32.21 C ATOM 2920 O ILE B 73 -2.951 6.390 22.504 1.00 13.13 O ATOM 2921 CB ILE B 73 -4.525 7.453 20.202 1.00 30.32 C ATOM 2922 CG1 ILE B 73 -5.756 7.600 19.243 1.00 70.31 C ATOM 2923 CG2 ILE B 73 -3.289 8.184 19.620 1.00 13.12 C ATOM 2924 CD1 ILE B 73 -5.567 7.031 17.842 1.00 72.31 C ATOM 0 HA ILE B 73 -3.991 5.456 19.533 1.00 34.41 H new ATOM 0 HB ILE B 73 -4.773 7.923 21.154 1.00 30.32 H new ATOM 0 HG12 ILE B 73 -6.614 7.109 19.703 1.00 70.31 H new ATOM 0 HG13 ILE B 73 -6.003 8.658 19.156 1.00 70.31 H new ATOM 0 HG21 ILE B 73 -3.538 9.229 19.434 1.00 13.12 H new ATOM 0 HG22 ILE B 73 -2.465 8.129 20.332 1.00 13.12 H new ATOM 0 HG23 ILE B 73 -2.993 7.710 18.684 1.00 13.12 H new ATOM 0 HD11 ILE B 73 -6.476 7.185 17.261 1.00 72.31 H new ATOM 0 HD12 ILE B 73 -4.734 7.537 17.353 1.00 72.31 H new ATOM 0 HD13 ILE B 73 -5.355 5.964 17.908 1.00 72.31 H new ATOM 2936 N PRO B 74 -1.952 4.954 21.022 1.00 54.20 N ATOM 2937 CA PRO B 74 -0.724 4.746 21.827 1.00 24.10 C ATOM 2938 C PRO B 74 0.241 5.959 21.715 1.00 32.41 C ATOM 2939 O PRO B 74 0.203 6.677 20.707 1.00 1.30 O ATOM 2940 CB PRO B 74 -0.111 3.443 21.224 1.00 10.53 C ATOM 2941 CG PRO B 74 -1.123 2.936 20.225 1.00 43.34 C ATOM 2942 CD PRO B 74 -1.884 4.156 19.770 1.00 22.44 C ATOM 0 HA PRO B 74 -0.922 4.654 22.895 1.00 24.10 H new ATOM 0 HB2 PRO B 74 0.845 3.647 20.742 1.00 10.53 H new ATOM 0 HB3 PRO B 74 0.076 2.702 22.002 1.00 10.53 H new ATOM 0 HG2 PRO B 74 -0.633 2.443 19.385 1.00 43.34 H new ATOM 0 HG3 PRO B 74 -1.790 2.204 20.679 1.00 43.34 H new ATOM 0 HD2 PRO B 74 -1.365 4.688 18.973 1.00 22.44 H new ATOM 0 HD3 PRO B 74 -2.874 3.903 19.392 1.00 22.44 H new ATOM 2950 N PRO B 75 1.123 6.196 22.747 1.00 15.20 N ATOM 2951 CA PRO B 75 1.976 7.414 22.819 1.00 64.15 C ATOM 2952 C PRO B 75 2.954 7.537 21.625 1.00 52.13 C ATOM 2953 O PRO B 75 2.862 8.494 20.846 1.00 31.21 O ATOM 2954 CB PRO B 75 2.715 7.266 24.184 1.00 34.41 C ATOM 2955 CG PRO B 75 2.653 5.800 24.512 1.00 2.51 C ATOM 2956 CD PRO B 75 1.352 5.305 23.923 1.00 52.52 C ATOM 0 HA PRO B 75 1.390 8.331 22.758 1.00 64.15 H new ATOM 0 HB2 PRO B 75 3.747 7.610 24.112 1.00 34.41 H new ATOM 0 HB3 PRO B 75 2.234 7.863 24.959 1.00 34.41 H new ATOM 0 HG2 PRO B 75 3.503 5.267 24.087 1.00 2.51 H new ATOM 0 HG3 PRO B 75 2.682 5.638 25.590 1.00 2.51 H new ATOM 0 HD2 PRO B 75 1.422 4.259 23.623 1.00 52.52 H new ATOM 0 HD3 PRO B 75 0.536 5.376 24.642 1.00 52.52 H new ATOM 2964 N TYR B 76 3.846 6.533 21.472 1.00 41.24 N ATOM 2965 CA TYR B 76 4.865 6.503 20.402 1.00 74.52 C ATOM 2966 C TYR B 76 4.217 6.521 19.008 1.00 3.10 C ATOM 2967 O TYR B 76 4.693 7.210 18.110 1.00 71.05 O ATOM 2968 CB TYR B 76 5.777 5.247 20.545 1.00 52.23 C ATOM 2969 CG TYR B 76 6.772 5.052 19.378 1.00 20.53 C ATOM 2970 CD1 TYR B 76 7.942 5.808 19.305 1.00 41.15 C ATOM 2971 CD2 TYR B 76 6.514 4.143 18.335 1.00 70.30 C ATOM 2972 CE1 TYR B 76 8.814 5.669 18.247 1.00 74.25 C ATOM 2973 CE2 TYR B 76 7.392 4.000 17.278 1.00 1.22 C ATOM 2974 CZ TYR B 76 8.534 4.766 17.237 1.00 44.54 C ATOM 2975 OH TYR B 76 9.410 4.639 16.181 1.00 53.54 O ATOM 0 H TYR B 76 3.879 5.721 22.088 1.00 41.24 H new ATOM 0 HA TYR B 76 5.475 7.400 20.508 1.00 74.52 H new ATOM 0 HB2 TYR B 76 6.337 5.323 21.477 1.00 52.23 H new ATOM 0 HB3 TYR B 76 5.147 4.361 20.623 1.00 52.23 H new ATOM 0 HD1 TYR B 76 8.168 6.514 20.091 1.00 41.15 H new ATOM 0 HD2 TYR B 76 5.614 3.547 18.361 1.00 70.30 H new ATOM 0 HE1 TYR B 76 9.714 6.264 18.206 1.00 74.25 H new ATOM 0 HE2 TYR B 76 7.183 3.292 16.490 1.00 1.22 H new ATOM 0 HH TYR B 76 10.320 4.839 16.485 1.00 53.54 H new ATOM 2985 N ASP B 77 3.138 5.741 18.858 1.00 61.14 N ATOM 2986 CA ASP B 77 2.457 5.515 17.571 1.00 10.01 C ATOM 2987 C ASP B 77 1.756 6.797 17.077 1.00 13.52 C ATOM 2988 O ASP B 77 1.607 7.005 15.866 1.00 73.24 O ATOM 2989 CB ASP B 77 1.443 4.346 17.710 1.00 50.53 C ATOM 2990 CG ASP B 77 2.089 2.997 18.109 1.00 10.55 C ATOM 2991 OD1 ASP B 77 1.785 1.956 17.482 1.00 71.22 O ATOM 2992 OD2 ASP B 77 2.886 2.969 19.079 1.00 44.35 O ATOM 0 H ASP B 77 2.706 5.242 19.636 1.00 61.14 H new ATOM 0 HA ASP B 77 3.205 5.246 16.826 1.00 10.01 H new ATOM 0 HB2 ASP B 77 0.695 4.614 18.456 1.00 50.53 H new ATOM 0 HB3 ASP B 77 0.918 4.220 16.763 1.00 50.53 H new ATOM 2997 N ARG B 78 1.330 7.648 18.033 1.00 70.25 N ATOM 2998 CA ARG B 78 0.762 8.974 17.734 1.00 43.14 C ATOM 2999 C ARG B 78 1.866 9.913 17.219 1.00 43.42 C ATOM 3000 O ARG B 78 1.689 10.617 16.220 1.00 53.24 O ATOM 3001 CB ARG B 78 0.087 9.581 18.995 1.00 33.12 C ATOM 3002 CG ARG B 78 -0.672 10.903 18.732 1.00 61.44 C ATOM 3003 CD ARG B 78 -1.362 11.477 19.982 1.00 55.31 C ATOM 3004 NE ARG B 78 -2.139 12.683 19.657 1.00 11.12 N ATOM 3005 CZ ARG B 78 -2.525 13.630 20.524 1.00 31.45 C ATOM 3006 NH1 ARG B 78 -2.205 13.551 21.814 1.00 61.53 N ATOM 3007 NH2 ARG B 78 -3.235 14.657 20.087 1.00 3.40 N ATOM 0 H ARG B 78 1.371 7.434 19.030 1.00 70.25 H new ATOM 0 HA ARG B 78 0.002 8.859 16.961 1.00 43.14 H new ATOM 0 HB2 ARG B 78 -0.609 8.851 19.408 1.00 33.12 H new ATOM 0 HB3 ARG B 78 0.850 9.758 19.753 1.00 33.12 H new ATOM 0 HG2 ARG B 78 0.028 11.642 18.342 1.00 61.44 H new ATOM 0 HG3 ARG B 78 -1.422 10.734 17.959 1.00 61.44 H new ATOM 0 HD2 ARG B 78 -2.020 10.724 20.415 1.00 55.31 H new ATOM 0 HD3 ARG B 78 -0.612 11.717 20.736 1.00 55.31 H new ATOM 0 HE ARG B 78 -2.409 12.811 18.682 1.00 11.12 H new ATOM 0 HH11 ARG B 78 -1.658 12.761 22.156 1.00 61.53 H new ATOM 0 HH12 ARG B 78 -2.507 14.280 22.460 1.00 61.53 H new ATOM 0 HH21 ARG B 78 -3.483 14.722 19.100 1.00 3.40 H new ATOM 0 HH22 ARG B 78 -3.534 15.384 20.737 1.00 3.40 H new ATOM 3021 N ASP B 79 3.019 9.889 17.917 1.00 70.40 N ATOM 3022 CA ASP B 79 4.208 10.694 17.560 1.00 44.20 C ATOM 3023 C ASP B 79 4.860 10.187 16.256 1.00 42.21 C ATOM 3024 O ASP B 79 5.573 10.936 15.586 1.00 70.20 O ATOM 3025 CB ASP B 79 5.228 10.712 18.727 1.00 45.43 C ATOM 3026 CG ASP B 79 4.730 11.537 19.926 1.00 10.14 C ATOM 3027 OD1 ASP B 79 4.317 10.961 20.949 1.00 64.31 O ATOM 3028 OD2 ASP B 79 4.725 12.784 19.837 1.00 44.41 O ATOM 0 H ASP B 79 3.154 9.310 18.746 1.00 70.40 H new ATOM 0 HA ASP B 79 3.879 11.718 17.382 1.00 44.20 H new ATOM 0 HB2 ASP B 79 5.426 9.690 19.049 1.00 45.43 H new ATOM 0 HB3 ASP B 79 6.174 11.123 18.374 1.00 45.43 H new ATOM 3033 N PHE B 80 4.614 8.904 15.928 1.00 62.22 N ATOM 3034 CA PHE B 80 5.067 8.270 14.674 1.00 63.43 C ATOM 3035 C PHE B 80 4.375 8.928 13.465 1.00 22.31 C ATOM 3036 O PHE B 80 5.004 9.163 12.428 1.00 31.14 O ATOM 3037 CB PHE B 80 4.780 6.735 14.726 1.00 11.53 C ATOM 3038 CG PHE B 80 5.092 5.994 13.430 1.00 51.11 C ATOM 3039 CD1 PHE B 80 4.090 5.718 12.491 1.00 41.10 C ATOM 3040 CD2 PHE B 80 6.394 5.604 13.134 1.00 30.41 C ATOM 3041 CE1 PHE B 80 4.387 5.084 11.307 1.00 25.33 C ATOM 3042 CE2 PHE B 80 6.682 4.965 11.949 1.00 13.13 C ATOM 3043 CZ PHE B 80 5.684 4.707 11.038 1.00 13.25 C ATOM 0 H PHE B 80 4.090 8.272 16.532 1.00 62.22 H new ATOM 0 HA PHE B 80 6.142 8.414 14.562 1.00 63.43 H new ATOM 0 HB2 PHE B 80 5.366 6.295 15.533 1.00 11.53 H new ATOM 0 HB3 PHE B 80 3.730 6.582 14.975 1.00 11.53 H new ATOM 0 HD1 PHE B 80 3.070 6.007 12.699 1.00 41.10 H new ATOM 0 HD2 PHE B 80 7.186 5.804 13.840 1.00 30.41 H new ATOM 0 HE1 PHE B 80 3.605 4.882 10.590 1.00 25.33 H new ATOM 0 HE2 PHE B 80 7.697 4.665 11.733 1.00 13.13 H new ATOM 0 HZ PHE B 80 5.918 4.208 10.110 1.00 13.25 H new ATOM 3053 N CYS B 81 3.066 9.203 13.629 1.00 52.43 N ATOM 3054 CA CYS B 81 2.236 9.858 12.602 1.00 75.21 C ATOM 3055 C CYS B 81 2.636 11.342 12.432 1.00 65.32 C ATOM 3056 O CYS B 81 2.409 11.936 11.372 1.00 54.11 O ATOM 3057 CB CYS B 81 0.750 9.736 12.987 1.00 42.40 C ATOM 3058 SG CYS B 81 0.206 8.035 13.269 1.00 25.14 S ATOM 0 H CYS B 81 2.554 8.976 14.481 1.00 52.43 H new ATOM 0 HA CYS B 81 2.400 9.360 11.646 1.00 75.21 H new ATOM 0 HB2 CYS B 81 0.569 10.320 13.890 1.00 42.40 H new ATOM 0 HB3 CYS B 81 0.142 10.175 12.196 1.00 42.40 H new ATOM 0 HG CYS B 81 0.772 7.571 14.343 1.00 25.14 H new ATOM 3064 N LYS B 82 3.233 11.929 13.496 1.00 63.21 N ATOM 3065 CA LYS B 82 3.734 13.314 13.471 1.00 32.22 C ATOM 3066 C LYS B 82 5.062 13.366 12.700 1.00 0.31 C ATOM 3067 O LYS B 82 6.144 13.203 13.276 1.00 1.22 O ATOM 3068 CB LYS B 82 3.916 13.861 14.911 1.00 72.24 C ATOM 3069 CG LYS B 82 2.651 13.788 15.783 1.00 41.54 C ATOM 3070 CD LYS B 82 2.920 14.240 17.237 1.00 70.21 C ATOM 3071 CE LYS B 82 1.744 13.961 18.177 1.00 73.30 C ATOM 3072 NZ LYS B 82 2.084 14.298 19.577 1.00 41.21 N ATOM 0 H LYS B 82 3.378 11.455 14.388 1.00 63.21 H new ATOM 0 HA LYS B 82 3.003 13.945 12.966 1.00 32.22 H new ATOM 0 HB2 LYS B 82 4.713 13.302 15.401 1.00 72.24 H new ATOM 0 HB3 LYS B 82 4.244 14.899 14.854 1.00 72.24 H new ATOM 0 HG2 LYS B 82 1.874 14.415 15.347 1.00 41.54 H new ATOM 0 HG3 LYS B 82 2.272 12.766 15.786 1.00 41.54 H new ATOM 0 HD2 LYS B 82 3.807 13.730 17.612 1.00 70.21 H new ATOM 0 HD3 LYS B 82 3.139 15.308 17.245 1.00 70.21 H new ATOM 0 HE2 LYS B 82 0.877 14.542 17.861 1.00 73.30 H new ATOM 0 HE3 LYS B 82 1.464 12.910 18.111 1.00 73.30 H new ATOM 0 HZ1 LYS B 82 1.330 13.959 20.209 1.00 41.21 H new ATOM 0 HZ2 LYS B 82 2.983 13.843 19.835 1.00 41.21 H new ATOM 0 HZ3 LYS B 82 2.178 15.329 19.673 1.00 41.21 H new ATOM 3086 N VAL B 83 4.961 13.530 11.381 1.00 44.44 N ATOM 3087 CA VAL B 83 6.120 13.623 10.469 1.00 64.00 C ATOM 3088 C VAL B 83 5.956 14.814 9.514 1.00 31.43 C ATOM 3089 O VAL B 83 4.853 15.367 9.367 1.00 61.43 O ATOM 3090 CB VAL B 83 6.318 12.293 9.642 1.00 55.20 C ATOM 3091 CG1 VAL B 83 6.861 11.150 10.526 1.00 65.12 C ATOM 3092 CG2 VAL B 83 5.004 11.875 8.943 1.00 52.14 C ATOM 0 H VAL B 83 4.064 13.604 10.902 1.00 44.44 H new ATOM 0 HA VAL B 83 7.008 13.774 11.082 1.00 64.00 H new ATOM 0 HB VAL B 83 7.063 12.494 8.872 1.00 55.20 H new ATOM 0 HG11 VAL B 83 6.985 10.251 9.923 1.00 65.12 H new ATOM 0 HG12 VAL B 83 7.824 11.441 10.946 1.00 65.12 H new ATOM 0 HG13 VAL B 83 6.158 10.950 11.335 1.00 65.12 H new ATOM 0 HG21 VAL B 83 5.168 10.956 8.380 1.00 52.14 H new ATOM 0 HG22 VAL B 83 4.230 11.709 9.692 1.00 52.14 H new ATOM 0 HG23 VAL B 83 4.686 12.665 8.263 1.00 52.14 H new ATOM 3102 N ASP B 84 7.065 15.179 8.856 1.00 30.15 N ATOM 3103 CA ASP B 84 7.115 16.276 7.869 1.00 51.21 C ATOM 3104 C ASP B 84 6.367 15.835 6.587 1.00 64.13 C ATOM 3105 O ASP B 84 6.163 14.633 6.378 1.00 33.10 O ATOM 3106 CB ASP B 84 8.609 16.628 7.552 1.00 2.02 C ATOM 3107 CG ASP B 84 8.867 18.106 7.187 1.00 13.52 C ATOM 3108 OD1 ASP B 84 8.074 18.707 6.435 1.00 4.04 O ATOM 3109 OD2 ASP B 84 9.884 18.673 7.645 1.00 11.53 O ATOM 0 H ASP B 84 7.965 14.718 8.993 1.00 30.15 H new ATOM 0 HA ASP B 84 6.631 17.167 8.270 1.00 51.21 H new ATOM 0 HB2 ASP B 84 9.219 16.371 8.418 1.00 2.02 H new ATOM 0 HB3 ASP B 84 8.947 16.001 6.727 1.00 2.02 H new ATOM 3114 N GLN B 85 5.976 16.806 5.743 1.00 33.50 N ATOM 3115 CA GLN B 85 5.210 16.554 4.499 1.00 21.52 C ATOM 3116 C GLN B 85 5.950 15.575 3.522 1.00 12.22 C ATOM 3117 O GLN B 85 5.309 14.629 3.036 1.00 62.32 O ATOM 3118 CB GLN B 85 4.836 17.905 3.805 1.00 2.13 C ATOM 3119 CG GLN B 85 3.888 17.786 2.590 1.00 54.54 C ATOM 3120 CD GLN B 85 2.522 17.155 2.916 1.00 10.15 C ATOM 3121 OE1 GLN B 85 2.006 17.264 4.033 1.00 30.32 O ATOM 3122 NE2 GLN B 85 1.921 16.514 1.929 1.00 34.32 N ATOM 0 H GLN B 85 6.181 17.793 5.901 1.00 33.50 H new ATOM 0 HA GLN B 85 4.286 16.049 4.779 1.00 21.52 H new ATOM 0 HB2 GLN B 85 4.371 18.557 4.544 1.00 2.13 H new ATOM 0 HB3 GLN B 85 5.755 18.394 3.481 1.00 2.13 H new ATOM 0 HG2 GLN B 85 3.726 18.779 2.171 1.00 54.54 H new ATOM 0 HG3 GLN B 85 4.376 17.190 1.819 1.00 54.54 H new ATOM 0 HE21 GLN B 85 2.374 16.441 1.018 1.00 34.32 H new ATOM 0 HE22 GLN B 85 1.005 16.092 2.078 1.00 34.32 H new ATOM 3131 N PRO B 86 7.295 15.766 3.197 1.00 2.02 N ATOM 3132 CA PRO B 86 8.048 14.771 2.393 1.00 20.01 C ATOM 3133 C PRO B 86 8.213 13.427 3.139 1.00 2.44 C ATOM 3134 O PRO B 86 8.073 12.367 2.536 1.00 5.44 O ATOM 3135 CB PRO B 86 9.419 15.465 2.131 1.00 22.12 C ATOM 3136 CG PRO B 86 9.563 16.459 3.247 1.00 23.54 C ATOM 3137 CD PRO B 86 8.160 16.952 3.522 1.00 33.21 C ATOM 0 HA PRO B 86 7.532 14.506 1.470 1.00 20.01 H new ATOM 0 HB2 PRO B 86 10.236 14.743 2.136 1.00 22.12 H new ATOM 0 HB3 PRO B 86 9.434 15.957 1.158 1.00 22.12 H new ATOM 0 HG2 PRO B 86 9.999 15.996 4.133 1.00 23.54 H new ATOM 0 HG3 PRO B 86 10.220 17.280 2.961 1.00 23.54 H new ATOM 0 HD2 PRO B 86 8.041 17.262 4.560 1.00 33.21 H new ATOM 0 HD3 PRO B 86 7.909 17.812 2.902 1.00 33.21 H new ATOM 3145 N THR B 87 8.466 13.514 4.464 1.00 2.42 N ATOM 3146 CA THR B 87 8.710 12.356 5.352 1.00 2.03 C ATOM 3147 C THR B 87 7.466 11.432 5.436 1.00 64.21 C ATOM 3148 O THR B 87 7.588 10.220 5.625 1.00 4.24 O ATOM 3149 CB THR B 87 9.120 12.867 6.777 1.00 11.51 C ATOM 3150 OG1 THR B 87 10.141 13.868 6.651 1.00 13.21 O ATOM 3151 CG2 THR B 87 9.641 11.748 7.694 1.00 0.44 C ATOM 0 H THR B 87 8.507 14.407 4.955 1.00 2.42 H new ATOM 0 HA THR B 87 9.524 11.764 4.934 1.00 2.03 H new ATOM 0 HB THR B 87 8.218 13.274 7.234 1.00 11.51 H new ATOM 0 HG1 THR B 87 10.396 14.189 7.541 1.00 13.21 H new ATOM 0 HG21 THR B 87 9.908 12.167 8.664 1.00 0.44 H new ATOM 0 HG22 THR B 87 8.865 10.994 7.825 1.00 0.44 H new ATOM 0 HG23 THR B 87 10.521 11.288 7.243 1.00 0.44 H new ATOM 3159 N LEU B 88 6.275 12.039 5.283 1.00 2.02 N ATOM 3160 CA LEU B 88 4.982 11.338 5.309 1.00 21.45 C ATOM 3161 C LEU B 88 4.868 10.424 4.072 1.00 21.03 C ATOM 3162 O LEU B 88 4.468 9.258 4.172 1.00 42.11 O ATOM 3163 CB LEU B 88 3.817 12.387 5.365 1.00 30.33 C ATOM 3164 CG LEU B 88 2.535 11.986 6.174 1.00 1.53 C ATOM 3165 CD1 LEU B 88 1.551 13.166 6.263 1.00 13.41 C ATOM 3166 CD2 LEU B 88 1.847 10.731 5.608 1.00 4.02 C ATOM 0 H LEU B 88 6.184 13.044 5.136 1.00 2.02 H new ATOM 0 HA LEU B 88 4.911 10.711 6.198 1.00 21.45 H new ATOM 0 HB2 LEU B 88 4.212 13.309 5.792 1.00 30.33 H new ATOM 0 HB3 LEU B 88 3.515 12.613 4.342 1.00 30.33 H new ATOM 0 HG LEU B 88 2.863 11.733 7.182 1.00 1.53 H new ATOM 0 HD11 LEU B 88 0.670 12.863 6.829 1.00 13.41 H new ATOM 0 HD12 LEU B 88 2.033 14.005 6.764 1.00 13.41 H new ATOM 0 HD13 LEU B 88 1.252 13.467 5.259 1.00 13.41 H new ATOM 0 HD21 LEU B 88 0.966 10.498 6.206 1.00 4.02 H new ATOM 0 HD22 LEU B 88 1.548 10.914 4.576 1.00 4.02 H new ATOM 0 HD23 LEU B 88 2.540 9.890 5.641 1.00 4.02 H new ATOM 3178 N PHE B 89 5.244 10.975 2.909 1.00 5.34 N ATOM 3179 CA PHE B 89 5.233 10.239 1.637 1.00 54.24 C ATOM 3180 C PHE B 89 6.347 9.177 1.600 1.00 10.41 C ATOM 3181 O PHE B 89 6.186 8.144 0.959 1.00 22.22 O ATOM 3182 CB PHE B 89 5.313 11.222 0.442 1.00 24.42 C ATOM 3183 CG PHE B 89 4.092 12.156 0.330 1.00 53.13 C ATOM 3184 CD1 PHE B 89 2.801 11.689 0.612 1.00 14.40 C ATOM 3185 CD2 PHE B 89 4.227 13.482 -0.068 1.00 4.51 C ATOM 3186 CE1 PHE B 89 1.701 12.521 0.499 1.00 21.30 C ATOM 3187 CE2 PHE B 89 3.128 14.308 -0.179 1.00 11.44 C ATOM 3188 CZ PHE B 89 1.866 13.829 0.103 1.00 73.14 C ATOM 0 H PHE B 89 5.563 11.940 2.824 1.00 5.34 H new ATOM 0 HA PHE B 89 4.289 9.702 1.552 1.00 54.24 H new ATOM 0 HB2 PHE B 89 6.215 11.826 0.539 1.00 24.42 H new ATOM 0 HB3 PHE B 89 5.410 10.651 -0.482 1.00 24.42 H new ATOM 0 HD1 PHE B 89 2.663 10.664 0.922 1.00 14.40 H new ATOM 0 HD2 PHE B 89 5.209 13.871 -0.294 1.00 4.51 H new ATOM 0 HE1 PHE B 89 0.714 12.144 0.721 1.00 21.30 H new ATOM 0 HE2 PHE B 89 3.256 15.335 -0.488 1.00 11.44 H new ATOM 0 HZ PHE B 89 1.008 14.479 0.013 1.00 73.14 H new ATOM 3198 N GLU B 90 7.462 9.448 2.308 1.00 32.54 N ATOM 3199 CA GLU B 90 8.547 8.469 2.532 1.00 63.32 C ATOM 3200 C GLU B 90 8.027 7.222 3.287 1.00 43.21 C ATOM 3201 O GLU B 90 8.449 6.097 2.999 1.00 72.21 O ATOM 3202 CB GLU B 90 9.691 9.127 3.340 1.00 55.05 C ATOM 3203 CG GLU B 90 10.492 10.208 2.595 1.00 72.20 C ATOM 3204 CD GLU B 90 11.427 9.629 1.529 1.00 1.02 C ATOM 3205 OE1 GLU B 90 12.536 9.179 1.895 1.00 5.32 O ATOM 3206 OE2 GLU B 90 11.057 9.599 0.332 1.00 50.32 O ATOM 0 H GLU B 90 7.637 10.354 2.742 1.00 32.54 H new ATOM 0 HA GLU B 90 8.922 8.150 1.559 1.00 63.32 H new ATOM 0 HB2 GLU B 90 9.267 9.570 4.241 1.00 55.05 H new ATOM 0 HB3 GLU B 90 10.380 8.346 3.662 1.00 55.05 H new ATOM 0 HG2 GLU B 90 9.800 10.906 2.124 1.00 72.20 H new ATOM 0 HG3 GLU B 90 11.079 10.779 3.315 1.00 72.20 H new ATOM 3213 N LEU B 91 7.126 7.454 4.272 1.00 31.31 N ATOM 3214 CA LEU B 91 6.459 6.373 5.027 1.00 51.43 C ATOM 3215 C LEU B 91 5.556 5.528 4.100 1.00 44.23 C ATOM 3216 O LEU B 91 5.490 4.311 4.254 1.00 14.34 O ATOM 3217 CB LEU B 91 5.617 6.941 6.207 1.00 61.23 C ATOM 3218 CG LEU B 91 6.399 7.574 7.399 1.00 33.04 C ATOM 3219 CD1 LEU B 91 5.421 8.141 8.454 1.00 4.43 C ATOM 3220 CD2 LEU B 91 7.366 6.553 8.033 1.00 3.43 C ATOM 0 H LEU B 91 6.845 8.391 4.562 1.00 31.31 H new ATOM 0 HA LEU B 91 7.242 5.734 5.437 1.00 51.43 H new ATOM 0 HB2 LEU B 91 4.941 7.697 5.807 1.00 61.23 H new ATOM 0 HB3 LEU B 91 4.997 6.134 6.599 1.00 61.23 H new ATOM 0 HG LEU B 91 6.996 8.400 7.011 1.00 33.04 H new ATOM 0 HD11 LEU B 91 5.987 8.578 9.277 1.00 4.43 H new ATOM 0 HD12 LEU B 91 4.796 8.908 7.996 1.00 4.43 H new ATOM 0 HD13 LEU B 91 4.790 7.338 8.834 1.00 4.43 H new ATOM 0 HD21 LEU B 91 7.898 7.021 8.861 1.00 3.43 H new ATOM 0 HD22 LEU B 91 6.801 5.697 8.402 1.00 3.43 H new ATOM 0 HD23 LEU B 91 8.084 6.218 7.284 1.00 3.43 H new ATOM 3232 N ILE B 92 4.864 6.198 3.146 1.00 73.10 N ATOM 3233 CA ILE B 92 3.983 5.526 2.160 1.00 3.45 C ATOM 3234 C ILE B 92 4.824 4.652 1.197 1.00 20.30 C ATOM 3235 O ILE B 92 4.446 3.515 0.885 1.00 24.31 O ATOM 3236 CB ILE B 92 3.111 6.568 1.335 1.00 2.44 C ATOM 3237 CG1 ILE B 92 2.268 7.472 2.295 1.00 54.33 C ATOM 3238 CG2 ILE B 92 2.188 5.853 0.315 1.00 10.01 C ATOM 3239 CD1 ILE B 92 1.321 8.453 1.613 1.00 72.15 C ATOM 0 H ILE B 92 4.900 7.212 3.039 1.00 73.10 H new ATOM 0 HA ILE B 92 3.295 4.890 2.717 1.00 3.45 H new ATOM 0 HB ILE B 92 3.800 7.202 0.777 1.00 2.44 H new ATOM 0 HG12 ILE B 92 1.684 6.828 2.952 1.00 54.33 H new ATOM 0 HG13 ILE B 92 2.953 8.036 2.928 1.00 54.33 H new ATOM 0 HG21 ILE B 92 1.606 6.595 -0.232 1.00 10.01 H new ATOM 0 HG22 ILE B 92 2.795 5.280 -0.386 1.00 10.01 H new ATOM 0 HG23 ILE B 92 1.513 5.181 0.844 1.00 10.01 H new ATOM 0 HD11 ILE B 92 0.787 9.029 2.369 1.00 72.15 H new ATOM 0 HD12 ILE B 92 1.893 9.130 0.979 1.00 72.15 H new ATOM 0 HD13 ILE B 92 0.605 7.903 1.003 1.00 72.15 H new ATOM 3251 N LEU B 93 5.990 5.195 0.772 1.00 2.43 N ATOM 3252 CA LEU B 93 6.944 4.495 -0.118 1.00 52.13 C ATOM 3253 C LEU B 93 7.524 3.244 0.571 1.00 23.04 C ATOM 3254 O LEU B 93 7.686 2.204 -0.065 1.00 43.44 O ATOM 3255 CB LEU B 93 8.095 5.457 -0.556 1.00 53.01 C ATOM 3256 CG LEU B 93 7.684 6.663 -1.462 1.00 42.34 C ATOM 3257 CD1 LEU B 93 8.883 7.600 -1.726 1.00 31.44 C ATOM 3258 CD2 LEU B 93 7.050 6.179 -2.786 1.00 20.43 C ATOM 0 H LEU B 93 6.295 6.132 1.038 1.00 2.43 H new ATOM 0 HA LEU B 93 6.401 4.174 -1.007 1.00 52.13 H new ATOM 0 HB2 LEU B 93 8.572 5.851 0.342 1.00 53.01 H new ATOM 0 HB3 LEU B 93 8.847 4.872 -1.086 1.00 53.01 H new ATOM 0 HG LEU B 93 6.929 7.237 -0.924 1.00 42.34 H new ATOM 0 HD11 LEU B 93 8.565 8.429 -2.359 1.00 31.44 H new ATOM 0 HD12 LEU B 93 9.256 7.989 -0.779 1.00 31.44 H new ATOM 0 HD13 LEU B 93 9.676 7.044 -2.227 1.00 31.44 H new ATOM 0 HD21 LEU B 93 6.775 7.041 -3.394 1.00 20.43 H new ATOM 0 HD22 LEU B 93 7.768 5.565 -3.330 1.00 20.43 H new ATOM 0 HD23 LEU B 93 6.159 5.589 -2.569 1.00 20.43 H new ATOM 3270 N ALA B 94 7.813 3.369 1.882 1.00 75.10 N ATOM 3271 CA ALA B 94 8.382 2.279 2.700 1.00 24.32 C ATOM 3272 C ALA B 94 7.323 1.218 3.039 1.00 4.02 C ATOM 3273 O ALA B 94 7.633 0.029 3.103 1.00 14.11 O ATOM 3274 CB ALA B 94 8.993 2.845 3.987 1.00 71.04 C ATOM 0 H ALA B 94 7.658 4.231 2.405 1.00 75.10 H new ATOM 0 HA ALA B 94 9.164 1.796 2.114 1.00 24.32 H new ATOM 0 HB1 ALA B 94 9.409 2.031 4.581 1.00 71.04 H new ATOM 0 HB2 ALA B 94 9.784 3.551 3.734 1.00 71.04 H new ATOM 0 HB3 ALA B 94 8.221 3.356 4.562 1.00 71.04 H new ATOM 3280 N ALA B 95 6.078 1.669 3.253 1.00 33.54 N ATOM 3281 CA ALA B 95 4.949 0.792 3.608 1.00 30.23 C ATOM 3282 C ALA B 95 4.503 -0.060 2.405 1.00 14.31 C ATOM 3283 O ALA B 95 3.961 -1.149 2.582 1.00 2.22 O ATOM 3284 CB ALA B 95 3.781 1.627 4.136 1.00 44.22 C ATOM 0 H ALA B 95 5.824 2.654 3.185 1.00 33.54 H new ATOM 0 HA ALA B 95 5.281 0.111 4.392 1.00 30.23 H new ATOM 0 HB1 ALA B 95 2.952 0.969 4.396 1.00 44.22 H new ATOM 0 HB2 ALA B 95 4.098 2.178 5.022 1.00 44.22 H new ATOM 0 HB3 ALA B 95 3.460 2.330 3.368 1.00 44.22 H new ATOM 3290 N ASN B 96 4.703 0.487 1.193 1.00 75.21 N ATOM 3291 CA ASN B 96 4.482 -0.223 -0.083 1.00 33.24 C ATOM 3292 C ASN B 96 5.647 -1.200 -0.353 1.00 23.04 C ATOM 3293 O ASN B 96 5.430 -2.380 -0.662 1.00 20.34 O ATOM 3294 CB ASN B 96 4.350 0.813 -1.238 1.00 21.12 C ATOM 3295 CG ASN B 96 4.223 0.200 -2.646 1.00 53.12 C ATOM 3296 OD1 ASN B 96 3.717 -0.907 -2.831 1.00 42.34 O ATOM 3297 ND2 ASN B 96 4.659 0.933 -3.652 1.00 35.14 N ATOM 0 H ASN B 96 5.027 1.446 1.069 1.00 75.21 H new ATOM 0 HA ASN B 96 3.560 -0.801 -0.024 1.00 33.24 H new ATOM 0 HB2 ASN B 96 3.477 1.437 -1.049 1.00 21.12 H new ATOM 0 HB3 ASN B 96 5.220 1.469 -1.220 1.00 21.12 H new ATOM 0 HD21 ASN B 96 4.580 0.586 -4.608 1.00 35.14 H new ATOM 0 HD22 ASN B 96 5.075 1.847 -3.474 1.00 35.14 H new ATOM 3304 N TYR B 97 6.881 -0.681 -0.200 1.00 4.32 N ATOM 3305 CA TYR B 97 8.138 -1.414 -0.472 1.00 14.21 C ATOM 3306 C TYR B 97 8.278 -2.665 0.417 1.00 22.45 C ATOM 3307 O TYR B 97 8.705 -3.727 -0.048 1.00 22.42 O ATOM 3308 CB TYR B 97 9.336 -0.452 -0.245 1.00 51.24 C ATOM 3309 CG TYR B 97 10.731 -1.065 -0.444 1.00 51.12 C ATOM 3310 CD1 TYR B 97 11.620 -1.219 0.625 1.00 52.34 C ATOM 3311 CD2 TYR B 97 11.154 -1.498 -1.703 1.00 52.02 C ATOM 3312 CE1 TYR B 97 12.873 -1.762 0.440 1.00 34.43 C ATOM 3313 CE2 TYR B 97 12.410 -2.045 -1.888 1.00 73.05 C ATOM 3314 CZ TYR B 97 13.260 -2.182 -0.814 1.00 5.15 C ATOM 3315 OH TYR B 97 14.511 -2.725 -1.000 1.00 43.23 O ATOM 0 H TYR B 97 7.037 0.274 0.121 1.00 4.32 H new ATOM 0 HA TYR B 97 8.123 -1.759 -1.506 1.00 14.21 H new ATOM 0 HB2 TYR B 97 9.232 0.395 -0.923 1.00 51.24 H new ATOM 0 HB3 TYR B 97 9.274 -0.058 0.769 1.00 51.24 H new ATOM 0 HD1 TYR B 97 11.319 -0.906 1.614 1.00 52.34 H new ATOM 0 HD2 TYR B 97 10.487 -1.404 -2.547 1.00 52.02 H new ATOM 0 HE1 TYR B 97 13.550 -1.858 1.276 1.00 34.43 H new ATOM 0 HE2 TYR B 97 12.723 -2.364 -2.871 1.00 73.05 H new ATOM 0 HH TYR B 97 14.624 -2.970 -1.942 1.00 43.23 H new ATOM 3325 N LEU B 98 7.915 -2.512 1.696 1.00 30.44 N ATOM 3326 CA LEU B 98 8.007 -3.584 2.706 1.00 75.44 C ATOM 3327 C LEU B 98 6.667 -4.343 2.835 1.00 70.12 C ATOM 3328 O LEU B 98 6.624 -5.429 3.438 1.00 21.43 O ATOM 3329 CB LEU B 98 8.441 -2.984 4.072 1.00 61.11 C ATOM 3330 CG LEU B 98 9.848 -2.308 4.101 1.00 12.43 C ATOM 3331 CD1 LEU B 98 10.183 -1.759 5.508 1.00 2.53 C ATOM 3332 CD2 LEU B 98 10.939 -3.281 3.599 1.00 1.52 C ATOM 0 H LEU B 98 7.546 -1.636 2.066 1.00 30.44 H new ATOM 0 HA LEU B 98 8.760 -4.304 2.384 1.00 75.44 H new ATOM 0 HB2 LEU B 98 7.698 -2.247 4.376 1.00 61.11 H new ATOM 0 HB3 LEU B 98 8.425 -3.779 4.818 1.00 61.11 H new ATOM 0 HG LEU B 98 9.823 -1.457 3.420 1.00 12.43 H new ATOM 0 HD11 LEU B 98 11.169 -1.295 5.492 1.00 2.53 H new ATOM 0 HD12 LEU B 98 9.438 -1.018 5.796 1.00 2.53 H new ATOM 0 HD13 LEU B 98 10.178 -2.577 6.228 1.00 2.53 H new ATOM 0 HD21 LEU B 98 11.910 -2.786 3.629 1.00 1.52 H new ATOM 0 HD22 LEU B 98 10.962 -4.163 4.238 1.00 1.52 H new ATOM 0 HD23 LEU B 98 10.716 -3.581 2.575 1.00 1.52 H new ATOM 3344 N ASP B 99 5.608 -3.759 2.240 1.00 14.53 N ATOM 3345 CA ASP B 99 4.224 -4.275 2.265 1.00 0.12 C ATOM 3346 C ASP B 99 3.780 -4.609 3.703 1.00 71.34 C ATOM 3347 O ASP B 99 3.788 -5.766 4.130 1.00 2.52 O ATOM 3348 CB ASP B 99 4.023 -5.480 1.297 1.00 32.05 C ATOM 3349 CG ASP B 99 2.538 -5.883 1.130 1.00 13.41 C ATOM 3350 OD1 ASP B 99 2.183 -7.073 1.314 1.00 43.22 O ATOM 3351 OD2 ASP B 99 1.711 -5.005 0.796 1.00 41.34 O ATOM 0 H ASP B 99 5.694 -2.890 1.713 1.00 14.53 H new ATOM 0 HA ASP B 99 3.577 -3.478 1.898 1.00 0.12 H new ATOM 0 HB2 ASP B 99 4.437 -5.227 0.321 1.00 32.05 H new ATOM 0 HB3 ASP B 99 4.586 -6.336 1.670 1.00 32.05 H new ATOM 3356 N ILE B 100 3.490 -3.558 4.478 1.00 54.52 N ATOM 3357 CA ILE B 100 3.038 -3.682 5.873 1.00 54.43 C ATOM 3358 C ILE B 100 1.651 -3.035 5.983 1.00 11.12 C ATOM 3359 O ILE B 100 1.539 -1.813 5.892 1.00 31.33 O ATOM 3360 CB ILE B 100 4.041 -2.986 6.870 1.00 42.44 C ATOM 3361 CG1 ILE B 100 5.513 -3.435 6.591 1.00 54.43 C ATOM 3362 CG2 ILE B 100 3.641 -3.264 8.344 1.00 0.51 C ATOM 3363 CD1 ILE B 100 6.568 -2.756 7.453 1.00 51.04 C ATOM 0 H ILE B 100 3.562 -2.593 4.156 1.00 54.52 H new ATOM 0 HA ILE B 100 2.994 -4.737 6.144 1.00 54.43 H new ATOM 0 HB ILE B 100 3.985 -1.910 6.706 1.00 42.44 H new ATOM 0 HG12 ILE B 100 5.582 -4.513 6.740 1.00 54.43 H new ATOM 0 HG13 ILE B 100 5.743 -3.243 5.543 1.00 54.43 H new ATOM 0 HG21 ILE B 100 4.349 -2.773 9.012 1.00 0.51 H new ATOM 0 HG22 ILE B 100 2.639 -2.876 8.528 1.00 0.51 H new ATOM 0 HG23 ILE B 100 3.654 -4.338 8.528 1.00 0.51 H new ATOM 0 HD11 ILE B 100 7.555 -3.133 7.185 1.00 51.04 H new ATOM 0 HD12 ILE B 100 6.534 -1.679 7.288 1.00 51.04 H new ATOM 0 HD13 ILE B 100 6.371 -2.969 8.504 1.00 51.04 H new ATOM 3375 N LYS B 101 0.608 -3.867 6.144 1.00 24.43 N ATOM 3376 CA LYS B 101 -0.793 -3.415 6.241 1.00 70.41 C ATOM 3377 C LYS B 101 -1.026 -2.411 7.420 1.00 62.01 C ATOM 3378 O LYS B 101 -1.666 -1.384 7.184 1.00 11.13 O ATOM 3379 CB LYS B 101 -1.764 -4.646 6.300 1.00 61.14 C ATOM 3380 CG LYS B 101 -2.262 -5.169 4.933 1.00 21.12 C ATOM 3381 CD LYS B 101 -1.137 -5.561 3.935 1.00 25.20 C ATOM 3382 CE LYS B 101 -1.704 -6.093 2.608 1.00 3.45 C ATOM 3383 NZ LYS B 101 -0.642 -6.417 1.628 1.00 5.33 N ATOM 0 H LYS B 101 0.713 -4.879 6.211 1.00 24.43 H new ATOM 0 HA LYS B 101 -1.020 -2.853 5.335 1.00 70.41 H new ATOM 0 HB2 LYS B 101 -1.258 -5.461 6.818 1.00 61.14 H new ATOM 0 HB3 LYS B 101 -2.631 -4.374 6.903 1.00 61.14 H new ATOM 0 HG2 LYS B 101 -2.897 -6.038 5.102 1.00 21.12 H new ATOM 0 HG3 LYS B 101 -2.886 -4.403 4.472 1.00 21.12 H new ATOM 0 HD2 LYS B 101 -0.508 -4.693 3.738 1.00 25.20 H new ATOM 0 HD3 LYS B 101 -0.499 -6.321 4.387 1.00 25.20 H new ATOM 0 HE2 LYS B 101 -2.299 -6.985 2.802 1.00 3.45 H new ATOM 0 HE3 LYS B 101 -2.375 -5.349 2.179 1.00 3.45 H new ATOM 0 HZ1 LYS B 101 -1.048 -6.970 0.846 1.00 5.33 H new ATOM 0 HZ2 LYS B 101 -0.234 -5.536 1.254 1.00 5.33 H new ATOM 0 HZ3 LYS B 101 0.103 -6.973 2.095 1.00 5.33 H new ATOM 3397 N PRO B 102 -0.548 -2.683 8.708 1.00 5.45 N ATOM 3398 CA PRO B 102 -0.653 -1.695 9.827 1.00 34.11 C ATOM 3399 C PRO B 102 -0.021 -0.321 9.499 1.00 51.25 C ATOM 3400 O PRO B 102 -0.627 0.718 9.750 1.00 42.44 O ATOM 3401 CB PRO B 102 0.097 -2.391 11.001 1.00 51.13 C ATOM 3402 CG PRO B 102 -0.027 -3.857 10.706 1.00 33.54 C ATOM 3403 CD PRO B 102 0.041 -3.970 9.199 1.00 75.30 C ATOM 0 HA PRO B 102 -1.693 -1.457 10.050 1.00 34.11 H new ATOM 0 HB2 PRO B 102 1.141 -2.081 11.045 1.00 51.13 H new ATOM 0 HB3 PRO B 102 -0.350 -2.140 11.963 1.00 51.13 H new ATOM 0 HG2 PRO B 102 0.776 -4.422 11.179 1.00 33.54 H new ATOM 0 HG3 PRO B 102 -0.966 -4.257 11.088 1.00 33.54 H new ATOM 0 HD2 PRO B 102 1.068 -4.095 8.855 1.00 75.30 H new ATOM 0 HD3 PRO B 102 -0.523 -4.830 8.838 1.00 75.30 H new ATOM 3411 N LEU B 103 1.188 -0.350 8.903 1.00 64.51 N ATOM 3412 CA LEU B 103 1.968 0.868 8.587 1.00 42.15 C ATOM 3413 C LEU B 103 1.225 1.688 7.515 1.00 42.54 C ATOM 3414 O LEU B 103 0.952 2.875 7.708 1.00 50.00 O ATOM 3415 CB LEU B 103 3.403 0.474 8.077 1.00 43.53 C ATOM 3416 CG LEU B 103 4.590 1.462 8.364 1.00 1.22 C ATOM 3417 CD1 LEU B 103 4.392 2.876 7.756 1.00 23.30 C ATOM 3418 CD2 LEU B 103 4.873 1.526 9.877 1.00 72.33 C ATOM 0 H LEU B 103 1.652 -1.215 8.627 1.00 64.51 H new ATOM 0 HA LEU B 103 2.076 1.472 9.488 1.00 42.15 H new ATOM 0 HB2 LEU B 103 3.659 -0.490 8.516 1.00 43.53 H new ATOM 0 HB3 LEU B 103 3.345 0.328 6.998 1.00 43.53 H new ATOM 0 HG LEU B 103 5.464 1.057 7.854 1.00 1.22 H new ATOM 0 HD11 LEU B 103 5.253 3.500 7.997 1.00 23.30 H new ATOM 0 HD12 LEU B 103 4.294 2.796 6.673 1.00 23.30 H new ATOM 0 HD13 LEU B 103 3.490 3.327 8.170 1.00 23.30 H new ATOM 0 HD21 LEU B 103 5.698 2.214 10.064 1.00 72.33 H new ATOM 0 HD22 LEU B 103 3.983 1.876 10.399 1.00 72.33 H new ATOM 0 HD23 LEU B 103 5.139 0.533 10.240 1.00 72.33 H new ATOM 3430 N LEU B 104 0.876 0.997 6.411 1.00 52.22 N ATOM 3431 CA LEU B 104 0.272 1.598 5.214 1.00 11.50 C ATOM 3432 C LEU B 104 -1.062 2.262 5.554 1.00 75.14 C ATOM 3433 O LEU B 104 -1.271 3.420 5.220 1.00 54.13 O ATOM 3434 CB LEU B 104 0.070 0.518 4.116 1.00 44.13 C ATOM 3435 CG LEU B 104 -0.446 1.017 2.726 1.00 32.20 C ATOM 3436 CD1 LEU B 104 0.523 2.048 2.094 1.00 62.42 C ATOM 3437 CD2 LEU B 104 -0.700 -0.178 1.780 1.00 3.22 C ATOM 0 H LEU B 104 1.010 -0.011 6.329 1.00 52.22 H new ATOM 0 HA LEU B 104 0.949 2.364 4.836 1.00 11.50 H new ATOM 0 HB2 LEU B 104 1.020 0.007 3.963 1.00 44.13 H new ATOM 0 HB3 LEU B 104 -0.634 -0.224 4.494 1.00 44.13 H new ATOM 0 HG LEU B 104 -1.395 1.529 2.884 1.00 32.20 H new ATOM 0 HD11 LEU B 104 0.131 2.372 1.130 1.00 62.42 H new ATOM 0 HD12 LEU B 104 0.619 2.910 2.755 1.00 62.42 H new ATOM 0 HD13 LEU B 104 1.501 1.589 1.953 1.00 62.42 H new ATOM 0 HD21 LEU B 104 -1.058 0.189 0.818 1.00 3.22 H new ATOM 0 HD22 LEU B 104 0.228 -0.731 1.634 1.00 3.22 H new ATOM 0 HD23 LEU B 104 -1.449 -0.837 2.219 1.00 3.22 H new ATOM 3449 N ASP B 105 -1.920 1.511 6.273 1.00 54.22 N ATOM 3450 CA ASP B 105 -3.286 1.937 6.611 1.00 2.35 C ATOM 3451 C ASP B 105 -3.269 3.205 7.478 1.00 64.24 C ATOM 3452 O ASP B 105 -3.917 4.191 7.140 1.00 42.03 O ATOM 3453 CB ASP B 105 -4.060 0.794 7.324 1.00 71.02 C ATOM 3454 CG ASP B 105 -5.551 1.130 7.509 1.00 1.21 C ATOM 3455 OD1 ASP B 105 -5.945 1.628 8.590 1.00 63.12 O ATOM 3456 OD2 ASP B 105 -6.334 0.924 6.548 1.00 33.05 O ATOM 0 H ASP B 105 -1.680 0.588 6.636 1.00 54.22 H new ATOM 0 HA ASP B 105 -3.804 2.171 5.681 1.00 2.35 H new ATOM 0 HB2 ASP B 105 -3.965 -0.124 6.744 1.00 71.02 H new ATOM 0 HB3 ASP B 105 -3.608 0.604 8.298 1.00 71.02 H new ATOM 3461 N VAL B 106 -2.472 3.174 8.561 1.00 3.11 N ATOM 3462 CA VAL B 106 -2.317 4.309 9.495 1.00 0.54 C ATOM 3463 C VAL B 106 -1.814 5.576 8.760 1.00 51.23 C ATOM 3464 O VAL B 106 -2.355 6.667 8.956 1.00 41.24 O ATOM 3465 CB VAL B 106 -1.362 3.905 10.686 1.00 23.54 C ATOM 3466 CG1 VAL B 106 -0.899 5.119 11.534 1.00 73.24 C ATOM 3467 CG2 VAL B 106 -2.059 2.844 11.584 1.00 25.11 C ATOM 0 H VAL B 106 -1.914 2.359 8.816 1.00 3.11 H new ATOM 0 HA VAL B 106 -3.294 4.553 9.912 1.00 0.54 H new ATOM 0 HB VAL B 106 -0.461 3.480 10.244 1.00 23.54 H new ATOM 0 HG11 VAL B 106 -0.246 4.775 12.336 1.00 73.24 H new ATOM 0 HG12 VAL B 106 -0.357 5.820 10.900 1.00 73.24 H new ATOM 0 HG13 VAL B 106 -1.769 5.616 11.963 1.00 73.24 H new ATOM 0 HG21 VAL B 106 -1.396 2.569 12.404 1.00 25.11 H new ATOM 0 HG22 VAL B 106 -2.982 3.259 11.988 1.00 25.11 H new ATOM 0 HG23 VAL B 106 -2.288 1.959 10.990 1.00 25.11 H new ATOM 3477 N THR B 107 -0.817 5.394 7.874 1.00 65.40 N ATOM 3478 CA THR B 107 -0.191 6.494 7.114 1.00 11.11 C ATOM 3479 C THR B 107 -1.149 7.044 6.013 1.00 51.03 C ATOM 3480 O THR B 107 -1.141 8.249 5.706 1.00 62.43 O ATOM 3481 CB THR B 107 1.166 6.008 6.508 1.00 53.21 C ATOM 3482 OG1 THR B 107 1.990 5.481 7.560 1.00 53.22 O ATOM 3483 CG2 THR B 107 1.939 7.126 5.801 1.00 12.34 C ATOM 0 H THR B 107 -0.421 4.478 7.664 1.00 65.40 H new ATOM 0 HA THR B 107 0.009 7.321 7.795 1.00 11.11 H new ATOM 0 HB THR B 107 0.928 5.247 5.764 1.00 53.21 H new ATOM 0 HG1 THR B 107 1.741 4.550 7.736 1.00 53.22 H new ATOM 0 HG21 THR B 107 2.871 6.727 5.401 1.00 12.34 H new ATOM 0 HG22 THR B 107 1.336 7.526 4.985 1.00 12.34 H new ATOM 0 HG23 THR B 107 2.160 7.922 6.512 1.00 12.34 H new ATOM 3491 N CYS B 108 -2.002 6.155 5.462 1.00 41.13 N ATOM 3492 CA CYS B 108 -3.031 6.519 4.464 1.00 11.41 C ATOM 3493 C CYS B 108 -4.189 7.281 5.142 1.00 13.32 C ATOM 3494 O CYS B 108 -4.840 8.128 4.522 1.00 13.44 O ATOM 3495 CB CYS B 108 -3.572 5.258 3.751 1.00 62.01 C ATOM 3496 SG CYS B 108 -2.322 4.356 2.812 1.00 40.22 S ATOM 0 H CYS B 108 -1.997 5.162 5.697 1.00 41.13 H new ATOM 0 HA CYS B 108 -2.569 7.167 3.719 1.00 11.41 H new ATOM 0 HB2 CYS B 108 -4.006 4.590 4.495 1.00 62.01 H new ATOM 0 HB3 CYS B 108 -4.377 5.551 3.077 1.00 62.01 H new ATOM 0 HG CYS B 108 -1.515 3.751 3.633 1.00 40.22 H new ATOM 3502 N LYS B 109 -4.447 6.941 6.416 1.00 32.52 N ATOM 3503 CA LYS B 109 -5.449 7.624 7.251 1.00 22.01 C ATOM 3504 C LYS B 109 -4.916 8.990 7.705 1.00 64.53 C ATOM 3505 O LYS B 109 -5.697 9.920 7.860 1.00 21.11 O ATOM 3506 CB LYS B 109 -5.894 6.727 8.462 1.00 51.13 C ATOM 3507 CG LYS B 109 -7.115 5.812 8.168 1.00 75.35 C ATOM 3508 CD LYS B 109 -6.966 4.974 6.871 1.00 31.32 C ATOM 3509 CE LYS B 109 -8.177 4.077 6.591 1.00 54.41 C ATOM 3510 NZ LYS B 109 -8.334 3.005 7.603 1.00 41.24 N ATOM 0 H LYS B 109 -3.965 6.182 6.897 1.00 32.52 H new ATOM 0 HA LYS B 109 -6.343 7.798 6.652 1.00 22.01 H new ATOM 0 HB2 LYS B 109 -5.053 6.104 8.765 1.00 51.13 H new ATOM 0 HB3 LYS B 109 -6.134 7.372 9.307 1.00 51.13 H new ATOM 0 HG2 LYS B 109 -7.264 5.137 9.011 1.00 75.35 H new ATOM 0 HG3 LYS B 109 -8.010 6.429 8.091 1.00 75.35 H new ATOM 0 HD2 LYS B 109 -6.817 5.647 6.026 1.00 31.32 H new ATOM 0 HD3 LYS B 109 -6.072 4.354 6.947 1.00 31.32 H new ATOM 0 HE2 LYS B 109 -9.080 4.687 6.569 1.00 54.41 H new ATOM 0 HE3 LYS B 109 -8.072 3.628 5.603 1.00 54.41 H new ATOM 0 HZ1 LYS B 109 -8.683 2.141 7.142 1.00 41.24 H new ATOM 0 HZ2 LYS B 109 -7.415 2.812 8.050 1.00 41.24 H new ATOM 0 HZ3 LYS B 109 -9.015 3.309 8.328 1.00 41.24 H new ATOM 3524 N THR B 110 -3.583 9.101 7.894 1.00 14.23 N ATOM 3525 CA THR B 110 -2.929 10.371 8.273 1.00 22.52 C ATOM 3526 C THR B 110 -3.178 11.458 7.205 1.00 14.23 C ATOM 3527 O THR B 110 -3.676 12.542 7.531 1.00 72.24 O ATOM 3528 CB THR B 110 -1.386 10.182 8.508 1.00 44.21 C ATOM 3529 OG1 THR B 110 -1.166 9.150 9.485 1.00 33.54 O ATOM 3530 CG2 THR B 110 -0.703 11.481 8.990 1.00 23.15 C ATOM 0 H THR B 110 -2.936 8.320 7.789 1.00 14.23 H new ATOM 0 HA THR B 110 -3.374 10.696 9.214 1.00 22.52 H new ATOM 0 HB THR B 110 -0.946 9.905 7.550 1.00 44.21 H new ATOM 0 HG1 THR B 110 -1.556 8.309 9.166 1.00 33.54 H new ATOM 0 HG21 THR B 110 0.361 11.299 9.138 1.00 23.15 H new ATOM 0 HG22 THR B 110 -0.837 12.262 8.241 1.00 23.15 H new ATOM 0 HG23 THR B 110 -1.151 11.800 9.931 1.00 23.15 H new ATOM 3538 N VAL B 111 -2.879 11.135 5.923 1.00 10.53 N ATOM 3539 CA VAL B 111 -3.103 12.062 4.787 1.00 50.43 C ATOM 3540 C VAL B 111 -4.606 12.366 4.594 1.00 74.23 C ATOM 3541 O VAL B 111 -4.971 13.489 4.216 1.00 53.02 O ATOM 3542 CB VAL B 111 -2.468 11.547 3.435 1.00 53.32 C ATOM 3543 CG1 VAL B 111 -0.929 11.497 3.519 1.00 15.20 C ATOM 3544 CG2 VAL B 111 -3.032 10.173 3.011 1.00 33.34 C ATOM 0 H VAL B 111 -2.481 10.237 5.650 1.00 10.53 H new ATOM 0 HA VAL B 111 -2.589 12.986 5.050 1.00 50.43 H new ATOM 0 HB VAL B 111 -2.747 12.268 2.666 1.00 53.32 H new ATOM 0 HG11 VAL B 111 -0.524 11.139 2.572 1.00 15.20 H new ATOM 0 HG12 VAL B 111 -0.543 12.496 3.724 1.00 15.20 H new ATOM 0 HG13 VAL B 111 -0.630 10.821 4.320 1.00 15.20 H new ATOM 0 HG21 VAL B 111 -2.566 9.861 2.077 1.00 33.34 H new ATOM 0 HG22 VAL B 111 -2.819 9.437 3.786 1.00 33.34 H new ATOM 0 HG23 VAL B 111 -4.110 10.250 2.870 1.00 33.34 H new ATOM 3554 N ALA B 112 -5.461 11.362 4.881 1.00 43.44 N ATOM 3555 CA ALA B 112 -6.921 11.499 4.799 1.00 22.40 C ATOM 3556 C ALA B 112 -7.445 12.455 5.889 1.00 11.44 C ATOM 3557 O ALA B 112 -8.382 13.209 5.648 1.00 13.20 O ATOM 3558 CB ALA B 112 -7.592 10.121 4.907 1.00 4.43 C ATOM 0 H ALA B 112 -5.153 10.435 5.176 1.00 43.44 H new ATOM 0 HA ALA B 112 -7.174 11.929 3.830 1.00 22.40 H new ATOM 0 HB1 ALA B 112 -8.674 10.237 4.845 1.00 4.43 H new ATOM 0 HB2 ALA B 112 -7.248 9.484 4.092 1.00 4.43 H new ATOM 0 HB3 ALA B 112 -7.331 9.663 5.861 1.00 4.43 H new ATOM 3564 N ASN B 113 -6.808 12.428 7.079 1.00 12.24 N ATOM 3565 CA ASN B 113 -7.186 13.281 8.232 1.00 31.31 C ATOM 3566 C ASN B 113 -6.780 14.745 8.002 1.00 51.43 C ATOM 3567 O ASN B 113 -7.470 15.660 8.475 1.00 71.41 O ATOM 3568 CB ASN B 113 -6.555 12.753 9.559 1.00 52.21 C ATOM 3569 CG ASN B 113 -7.167 11.433 10.034 1.00 53.31 C ATOM 3570 OD1 ASN B 113 -8.345 11.162 9.808 1.00 25.34 O ATOM 3571 ND2 ASN B 113 -6.370 10.604 10.697 1.00 61.13 N ATOM 0 H ASN B 113 -6.016 11.814 7.270 1.00 12.24 H new ATOM 0 HA ASN B 113 -8.271 13.235 8.323 1.00 31.31 H new ATOM 0 HB2 ASN B 113 -5.483 12.618 9.416 1.00 52.21 H new ATOM 0 HB3 ASN B 113 -6.680 13.505 10.338 1.00 52.21 H new ATOM 0 HD21 ASN B 113 -6.730 9.712 11.036 1.00 61.13 H new ATOM 0 HD22 ASN B 113 -5.397 10.859 10.868 1.00 61.13 H new ATOM 3578 N MET B 114 -5.665 14.953 7.270 1.00 72.14 N ATOM 3579 CA MET B 114 -5.161 16.306 6.960 1.00 51.41 C ATOM 3580 C MET B 114 -6.148 17.058 6.044 1.00 61.31 C ATOM 3581 O MET B 114 -6.394 18.253 6.229 1.00 64.51 O ATOM 3582 CB MET B 114 -3.752 16.253 6.305 1.00 61.44 C ATOM 3583 CG MET B 114 -2.659 15.592 7.163 1.00 44.25 C ATOM 3584 SD MET B 114 -0.992 15.864 6.508 1.00 23.32 S ATOM 3585 CE MET B 114 -1.129 15.309 4.804 1.00 70.03 C ATOM 0 H MET B 114 -5.097 14.200 6.883 1.00 72.14 H new ATOM 0 HA MET B 114 -5.073 16.847 7.902 1.00 51.41 H new ATOM 0 HB2 MET B 114 -3.827 15.714 5.361 1.00 61.44 H new ATOM 0 HB3 MET B 114 -3.440 17.270 6.067 1.00 61.44 H new ATOM 0 HG2 MET B 114 -2.714 15.984 8.178 1.00 44.25 H new ATOM 0 HG3 MET B 114 -2.850 14.521 7.224 1.00 44.25 H new ATOM 0 HE1 MET B 114 -0.456 14.467 4.640 1.00 70.03 H new ATOM 0 HE2 MET B 114 -2.154 14.998 4.604 1.00 70.03 H new ATOM 0 HE3 MET B 114 -0.860 16.125 4.133 1.00 70.03 H new ATOM 3595 N ILE B 115 -6.726 16.329 5.073 1.00 2.10 N ATOM 3596 CA ILE B 115 -7.703 16.897 4.118 1.00 43.32 C ATOM 3597 C ILE B 115 -9.154 16.803 4.649 1.00 65.34 C ATOM 3598 O ILE B 115 -10.075 17.366 4.040 1.00 33.34 O ATOM 3599 CB ILE B 115 -7.604 16.198 2.707 1.00 31.12 C ATOM 3600 CG1 ILE B 115 -7.960 14.677 2.802 1.00 64.23 C ATOM 3601 CG2 ILE B 115 -6.196 16.404 2.088 1.00 63.24 C ATOM 3602 CD1 ILE B 115 -8.097 13.963 1.468 1.00 62.04 C ATOM 0 H ILE B 115 -6.534 15.338 4.926 1.00 2.10 H new ATOM 0 HA ILE B 115 -7.449 17.951 4.006 1.00 43.32 H new ATOM 0 HB ILE B 115 -8.335 16.667 2.048 1.00 31.12 H new ATOM 0 HG12 ILE B 115 -7.190 14.175 3.388 1.00 64.23 H new ATOM 0 HG13 ILE B 115 -8.896 14.572 3.350 1.00 64.23 H new ATOM 0 HG21 ILE B 115 -6.151 15.914 1.116 1.00 63.24 H new ATOM 0 HG22 ILE B 115 -6.005 17.470 1.966 1.00 63.24 H new ATOM 0 HG23 ILE B 115 -5.442 15.973 2.747 1.00 63.24 H new ATOM 0 HD11 ILE B 115 -8.344 12.915 1.640 1.00 62.04 H new ATOM 0 HD12 ILE B 115 -8.889 14.432 0.884 1.00 62.04 H new ATOM 0 HD13 ILE B 115 -7.156 14.029 0.922 1.00 62.04 H new ATOM 3614 N ARG B 116 -9.359 16.091 5.780 1.00 0.43 N ATOM 3615 CA ARG B 116 -10.702 15.888 6.361 1.00 20.05 C ATOM 3616 C ARG B 116 -11.086 17.108 7.220 1.00 25.22 C ATOM 3617 O ARG B 116 -10.793 17.151 8.420 1.00 44.02 O ATOM 3618 CB ARG B 116 -10.761 14.574 7.201 1.00 61.55 C ATOM 3619 CG ARG B 116 -12.188 14.053 7.485 1.00 63.31 C ATOM 3620 CD ARG B 116 -12.936 13.711 6.183 1.00 71.50 C ATOM 3621 NE ARG B 116 -14.265 13.121 6.410 1.00 5.12 N ATOM 3622 CZ ARG B 116 -14.928 12.368 5.518 1.00 51.42 C ATOM 3623 NH1 ARG B 116 -14.390 12.088 4.325 1.00 44.35 N ATOM 3624 NH2 ARG B 116 -16.126 11.895 5.820 1.00 72.21 N ATOM 0 H ARG B 116 -8.608 15.647 6.308 1.00 0.43 H new ATOM 0 HA ARG B 116 -11.421 15.787 5.548 1.00 20.05 H new ATOM 0 HB2 ARG B 116 -10.203 13.798 6.676 1.00 61.55 H new ATOM 0 HB3 ARG B 116 -10.255 14.743 8.151 1.00 61.55 H new ATOM 0 HG2 ARG B 116 -12.133 13.167 8.117 1.00 63.31 H new ATOM 0 HG3 ARG B 116 -12.747 14.806 8.040 1.00 63.31 H new ATOM 0 HD2 ARG B 116 -13.046 14.617 5.587 1.00 71.50 H new ATOM 0 HD3 ARG B 116 -12.333 13.016 5.598 1.00 71.50 H new ATOM 0 HE ARG B 116 -14.714 13.297 7.309 1.00 5.12 H new ATOM 0 HH11 ARG B 116 -13.466 12.448 4.085 1.00 44.35 H new ATOM 0 HH12 ARG B 116 -14.904 11.515 3.656 1.00 44.35 H new ATOM 0 HH21 ARG B 116 -16.542 12.103 6.728 1.00 72.21 H new ATOM 0 HH22 ARG B 116 -16.633 11.322 5.145 1.00 72.21 H new