USER MOD reduce.3.24.130724 H: found=0, std=0, add=1153, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1153 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: A 58 SER OG : rot -79:sc= -0.17 USER MOD Set 1.2: A 67 MET CE :methyl -144:sc= -0.539 (180deg=-2.96!) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.513 K(o=0.79,f=-1.2) USER MOD Set 2.2: A 59 ASN : amide:sc= 0.274 K(o=0.79,f=-0.99) USER MOD Set 3.1: A 9 THR OG1 : rot 46:sc= 0.558 USER MOD Set 3.2: A 83 GLN : amide:sc= -0.749 K(o=-0.19,f=-0.96) USER MOD Set 4.1: A 8 ASN : amide:sc= 0.464 K(o=1.8,f=-4.4!) USER MOD Set 4.2: A 61 LYS NZ :NH3+ 141:sc= 1.38 (180deg=0.197) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0615 (180deg=-0.392) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0252 (180deg=-0.087) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= 0.526 (180deg=0.498) USER MOD Single : A 10 ASN :FLIP amide:sc= 0.625 F(o=-0.59,f=0.62) USER MOD Single : A 11 ASN : amide:sc= -3.44! C(o=-3.4!,f=-5.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 144:sc= 0.849 (180deg=0.226) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 25 GLN : amide:sc= -0.125 K(o=-0.13,f=-3.1!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.44) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0.392 (180deg=0.375) USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= 1.11 (180deg=0.00373) USER MOD Single : A 42 MET CE :methyl 156:sc= -0.212 (180deg=-0.48) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0.476 (180deg=0.296) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -110:sc= -0.255 (180deg=-2.35!) USER MOD Single : A 62 GLN : amide:sc= -0.248 K(o=-0.25,f=-3.9!) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0941) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.849 (180deg=-1.2) USER MOD Single : A 76 TYR OH : rot -131:sc= 0.562 USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= 0.702 (180deg=0.488) USER MOD Single : A 85 GLN : amide:sc= 0.0498 X(o=0.05,f=-0.12) USER MOD Single : A 88 ASN : amide:sc= -0.0245 X(o=-0.025,f=-0.077) USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= 1.29 (180deg=0.327) USER MOD Single : A 96 LYS NZ :NH3+ -139:sc= 1.23 (180deg=0.657) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.63 K(o=-0.63,f=-1.8) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 178:sc= 0.199 (180deg=0.187) USER MOD Single : A 108 THR OG1 : rot 18:sc= -1.12 USER MOD Single : A 115 LYS NZ :NH3+ 136:sc= -0.808 (180deg=-2.86!) USER MOD Single : A 121 MET CE :methyl 170:sc= -0.0301 (180deg=-0.129) USER MOD Single : A 122 GLN : amide:sc= -0.73 X(o=-0.73,f=-0.37) USER MOD Single : A 123 LYS NZ :NH3+ -117:sc= 0.00439 (180deg=-0.142) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HE2:sc= -0.298 K(o=-0.3,f=-1.3) USER MOD Single : A 132 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.324 8.628 4.670 1.00 33.34 N ATOM 2 CA MET A 1 -13.850 8.717 4.586 1.00 64.52 C ATOM 3 C MET A 1 -13.251 7.348 4.236 1.00 4.10 C ATOM 4 O MET A 1 -13.798 6.306 4.623 1.00 55.14 O ATOM 5 CB MET A 1 -13.267 9.258 5.915 1.00 14.54 C ATOM 6 CG MET A 1 -13.632 8.449 7.171 1.00 51.04 C ATOM 7 SD MET A 1 -13.003 9.202 8.685 1.00 52.51 S ATOM 8 CE MET A 1 -11.232 9.131 8.421 1.00 22.55 C ATOM 0 H1 MET A 1 -15.660 9.187 5.480 1.00 33.34 H new ATOM 0 H2 MET A 1 -15.745 9.000 3.795 1.00 33.34 H new ATOM 0 H3 MET A 1 -15.605 7.635 4.794 1.00 33.34 H new ATOM 0 HA MET A 1 -13.584 9.414 3.792 1.00 64.52 H new ATOM 0 HB2 MET A 1 -12.181 9.293 5.829 1.00 14.54 H new ATOM 0 HB3 MET A 1 -13.609 10.284 6.052 1.00 14.54 H new ATOM 0 HG2 MET A 1 -14.716 8.357 7.238 1.00 51.04 H new ATOM 0 HG3 MET A 1 -13.232 7.439 7.078 1.00 51.04 H new ATOM 0 HE1 MET A 1 -10.716 9.291 9.368 1.00 22.55 H new ATOM 0 HE2 MET A 1 -10.963 8.153 8.022 1.00 22.55 H new ATOM 0 HE3 MET A 1 -10.938 9.906 7.713 1.00 22.55 H new ATOM 20 N LYS A 2 -12.126 7.354 3.493 1.00 31.31 N ATOM 21 CA LYS A 2 -11.402 6.129 3.093 1.00 71.24 C ATOM 22 C LYS A 2 -9.898 6.292 3.372 1.00 1.13 C ATOM 23 O LYS A 2 -9.265 7.238 2.900 1.00 11.21 O ATOM 24 CB LYS A 2 -11.622 5.806 1.589 1.00 63.12 C ATOM 25 CG LYS A 2 -13.042 5.324 1.212 1.00 51.23 C ATOM 26 CD LYS A 2 -13.146 4.980 -0.293 1.00 72.24 C ATOM 27 CE LYS A 2 -14.447 4.251 -0.669 1.00 53.20 C ATOM 28 NZ LYS A 2 -15.662 5.076 -0.484 1.00 61.21 N ATOM 0 H LYS A 2 -11.692 8.212 3.152 1.00 31.31 H new ATOM 0 HA LYS A 2 -11.797 5.300 3.681 1.00 71.24 H new ATOM 0 HB2 LYS A 2 -11.394 6.699 1.007 1.00 63.12 H new ATOM 0 HB3 LYS A 2 -10.906 5.040 1.292 1.00 63.12 H new ATOM 0 HG2 LYS A 2 -13.298 4.446 1.805 1.00 51.23 H new ATOM 0 HG3 LYS A 2 -13.768 6.099 1.460 1.00 51.23 H new ATOM 0 HD2 LYS A 2 -13.074 5.900 -0.873 1.00 72.24 H new ATOM 0 HD3 LYS A 2 -12.296 4.358 -0.575 1.00 72.24 H new ATOM 0 HE2 LYS A 2 -14.388 3.934 -1.710 1.00 53.20 H new ATOM 0 HE3 LYS A 2 -14.535 3.348 -0.065 1.00 53.20 H new ATOM 0 HZ1 LYS A 2 -16.487 4.570 -0.865 1.00 61.21 H new ATOM 0 HZ2 LYS A 2 -15.806 5.259 0.530 1.00 61.21 H new ATOM 0 HZ3 LYS A 2 -15.548 5.980 -0.986 1.00 61.21 H new ATOM 42 N GLU A 3 -9.355 5.354 4.147 1.00 73.21 N ATOM 43 CA GLU A 3 -7.922 5.270 4.471 1.00 14.05 C ATOM 44 C GLU A 3 -7.281 4.263 3.495 1.00 32.52 C ATOM 45 O GLU A 3 -7.654 3.088 3.483 1.00 54.00 O ATOM 46 CB GLU A 3 -7.750 4.781 5.941 1.00 55.53 C ATOM 47 CG GLU A 3 -8.620 5.516 6.990 1.00 2.43 C ATOM 48 CD GLU A 3 -8.087 6.890 7.419 1.00 53.12 C ATOM 49 OE1 GLU A 3 -8.402 7.908 6.759 1.00 22.33 O ATOM 50 OE2 GLU A 3 -7.348 6.953 8.428 1.00 42.23 O ATOM 0 H GLU A 3 -9.907 4.613 4.579 1.00 73.21 H new ATOM 0 HA GLU A 3 -7.443 6.244 4.375 1.00 14.05 H new ATOM 0 HB2 GLU A 3 -7.983 3.717 5.982 1.00 55.53 H new ATOM 0 HB3 GLU A 3 -6.702 4.889 6.222 1.00 55.53 H new ATOM 0 HG2 GLU A 3 -9.624 5.642 6.585 1.00 2.43 H new ATOM 0 HG3 GLU A 3 -8.710 4.884 7.874 1.00 2.43 H new ATOM 57 N LEU A 4 -6.338 4.714 2.671 1.00 61.15 N ATOM 58 CA LEU A 4 -5.761 3.877 1.595 1.00 11.13 C ATOM 59 C LEU A 4 -4.335 3.488 1.946 1.00 31.41 C ATOM 60 O LEU A 4 -3.461 4.341 1.996 1.00 25.20 O ATOM 61 CB LEU A 4 -5.829 4.607 0.210 1.00 41.41 C ATOM 62 CG LEU A 4 -7.060 4.251 -0.684 1.00 72.40 C ATOM 63 CD1 LEU A 4 -7.047 2.749 -1.052 1.00 5.53 C ATOM 64 CD2 LEU A 4 -8.397 4.654 -0.015 1.00 1.42 C ATOM 0 H LEU A 4 -5.949 5.656 2.720 1.00 61.15 H new ATOM 0 HA LEU A 4 -6.354 2.967 1.508 1.00 11.13 H new ATOM 0 HB2 LEU A 4 -5.831 5.683 0.387 1.00 41.41 H new ATOM 0 HB3 LEU A 4 -4.920 4.377 -0.346 1.00 41.41 H new ATOM 0 HG LEU A 4 -6.979 4.831 -1.604 1.00 72.40 H new ATOM 0 HD11 LEU A 4 -7.912 2.519 -1.675 1.00 5.53 H new ATOM 0 HD12 LEU A 4 -6.134 2.516 -1.599 1.00 5.53 H new ATOM 0 HD13 LEU A 4 -7.087 2.151 -0.142 1.00 5.53 H new ATOM 0 HD21 LEU A 4 -9.226 4.389 -0.671 1.00 1.42 H new ATOM 0 HD22 LEU A 4 -8.502 4.128 0.934 1.00 1.42 H new ATOM 0 HD23 LEU A 4 -8.405 5.729 0.163 1.00 1.42 H new ATOM 76 N ILE A 5 -4.116 2.187 2.181 1.00 53.11 N ATOM 77 CA ILE A 5 -2.788 1.634 2.483 1.00 21.24 C ATOM 78 C ILE A 5 -2.245 0.885 1.238 1.00 25.31 C ATOM 79 O ILE A 5 -2.889 -0.035 0.719 1.00 44.30 O ATOM 80 CB ILE A 5 -2.839 0.690 3.750 1.00 73.01 C ATOM 81 CG1 ILE A 5 -1.440 0.068 4.063 1.00 44.42 C ATOM 82 CG2 ILE A 5 -3.930 -0.398 3.618 1.00 3.05 C ATOM 83 CD1 ILE A 5 -1.396 -0.842 5.286 1.00 75.20 C ATOM 0 H ILE A 5 -4.857 1.486 2.167 1.00 53.11 H new ATOM 0 HA ILE A 5 -2.108 2.451 2.723 1.00 21.24 H new ATOM 0 HB ILE A 5 -3.114 1.315 4.600 1.00 73.01 H new ATOM 0 HG12 ILE A 5 -1.110 -0.501 3.194 1.00 44.42 H new ATOM 0 HG13 ILE A 5 -0.723 0.877 4.205 1.00 44.42 H new ATOM 0 HG21 ILE A 5 -3.930 -1.024 4.510 1.00 3.05 H new ATOM 0 HG22 ILE A 5 -4.905 0.076 3.508 1.00 3.05 H new ATOM 0 HG23 ILE A 5 -3.725 -1.014 2.743 1.00 3.05 H new ATOM 0 HD11 ILE A 5 -0.384 -1.224 5.419 1.00 75.20 H new ATOM 0 HD12 ILE A 5 -1.690 -0.277 6.171 1.00 75.20 H new ATOM 0 HD13 ILE A 5 -2.083 -1.677 5.143 1.00 75.20 H new ATOM 95 N LEU A 6 -1.080 1.324 0.737 1.00 2.20 N ATOM 96 CA LEU A 6 -0.403 0.699 -0.415 1.00 42.43 C ATOM 97 C LEU A 6 0.754 -0.164 0.110 1.00 63.23 C ATOM 98 O LEU A 6 1.664 0.355 0.747 1.00 25.12 O ATOM 99 CB LEU A 6 0.135 1.760 -1.422 1.00 40.43 C ATOM 100 CG LEU A 6 -0.928 2.659 -2.146 1.00 41.42 C ATOM 101 CD1 LEU A 6 -1.538 3.718 -1.204 1.00 63.20 C ATOM 102 CD2 LEU A 6 -0.329 3.314 -3.406 1.00 62.11 C ATOM 0 H LEU A 6 -0.578 2.125 1.119 1.00 2.20 H new ATOM 0 HA LEU A 6 -1.126 0.086 -0.954 1.00 42.43 H new ATOM 0 HB2 LEU A 6 0.825 2.414 -0.889 1.00 40.43 H new ATOM 0 HB3 LEU A 6 0.714 1.240 -2.185 1.00 40.43 H new ATOM 0 HG LEU A 6 -1.743 2.005 -2.455 1.00 41.42 H new ATOM 0 HD11 LEU A 6 -2.268 4.315 -1.751 1.00 63.20 H new ATOM 0 HD12 LEU A 6 -2.030 3.221 -0.368 1.00 63.20 H new ATOM 0 HD13 LEU A 6 -0.748 4.367 -0.826 1.00 63.20 H new ATOM 0 HD21 LEU A 6 -1.086 3.932 -3.890 1.00 62.11 H new ATOM 0 HD22 LEU A 6 0.521 3.935 -3.124 1.00 62.11 H new ATOM 0 HD23 LEU A 6 0.002 2.539 -4.097 1.00 62.11 H new ATOM 114 N ILE A 7 0.696 -1.476 -0.157 1.00 64.02 N ATOM 115 CA ILE A 7 1.707 -2.448 0.280 1.00 11.54 C ATOM 116 C ILE A 7 2.638 -2.741 -0.896 1.00 31.43 C ATOM 117 O ILE A 7 2.210 -3.281 -1.914 1.00 52.03 O ATOM 118 CB ILE A 7 1.092 -3.818 0.796 1.00 23.13 C ATOM 119 CG1 ILE A 7 0.326 -3.651 2.145 1.00 14.33 C ATOM 120 CG2 ILE A 7 2.188 -4.901 0.944 1.00 12.21 C ATOM 121 CD1 ILE A 7 -0.933 -2.823 2.062 1.00 73.43 C ATOM 0 H ILE A 7 -0.065 -1.897 -0.690 1.00 64.02 H new ATOM 0 HA ILE A 7 2.236 -2.002 1.122 1.00 11.54 H new ATOM 0 HB ILE A 7 0.374 -4.139 0.041 1.00 23.13 H new ATOM 0 HG12 ILE A 7 0.069 -4.640 2.525 1.00 14.33 H new ATOM 0 HG13 ILE A 7 0.997 -3.194 2.873 1.00 14.33 H new ATOM 0 HG21 ILE A 7 1.738 -5.828 1.299 1.00 12.21 H new ATOM 0 HG22 ILE A 7 2.661 -5.074 -0.022 1.00 12.21 H new ATOM 0 HG23 ILE A 7 2.938 -4.564 1.660 1.00 12.21 H new ATOM 0 HD11 ILE A 7 -1.395 -2.764 3.047 1.00 73.43 H new ATOM 0 HD12 ILE A 7 -0.686 -1.819 1.716 1.00 73.43 H new ATOM 0 HD13 ILE A 7 -1.628 -3.287 1.363 1.00 73.43 H new ATOM 133 N ASN A 8 3.903 -2.376 -0.745 1.00 74.42 N ATOM 134 CA ASN A 8 4.952 -2.757 -1.667 1.00 12.31 C ATOM 135 C ASN A 8 5.692 -3.925 -1.033 1.00 1.33 C ATOM 136 O ASN A 8 6.132 -3.831 0.114 1.00 12.23 O ATOM 137 CB ASN A 8 5.893 -1.574 -1.921 1.00 21.20 C ATOM 138 CG ASN A 8 6.916 -1.849 -3.020 1.00 21.21 C ATOM 139 OD1 ASN A 8 8.046 -2.264 -2.757 1.00 43.31 O ATOM 140 ND2 ASN A 8 6.507 -1.658 -4.269 1.00 54.33 N ATOM 0 H ASN A 8 4.229 -1.800 0.031 1.00 74.42 H new ATOM 0 HA ASN A 8 4.543 -3.048 -2.634 1.00 12.31 H new ATOM 0 HB2 ASN A 8 5.302 -0.699 -2.193 1.00 21.20 H new ATOM 0 HB3 ASN A 8 6.418 -1.330 -0.997 1.00 21.20 H new ATOM 0 HD21 ASN A 8 7.136 -1.856 -5.047 1.00 54.33 H new ATOM 0 HD22 ASN A 8 5.564 -1.313 -4.450 1.00 54.33 H new ATOM 147 N THR A 9 5.788 -5.033 -1.757 1.00 13.42 N ATOM 148 CA THR A 9 6.421 -6.257 -1.258 1.00 43.44 C ATOM 149 C THR A 9 7.167 -6.957 -2.395 1.00 72.11 C ATOM 150 O THR A 9 6.625 -7.145 -3.495 1.00 54.13 O ATOM 151 CB THR A 9 5.375 -7.213 -0.580 1.00 11.21 C ATOM 152 OG1 THR A 9 5.968 -8.490 -0.275 1.00 3.54 O ATOM 153 CG2 THR A 9 4.109 -7.405 -1.432 1.00 51.23 C ATOM 0 H THR A 9 5.430 -5.113 -2.709 1.00 13.42 H new ATOM 0 HA THR A 9 7.142 -5.984 -0.487 1.00 43.44 H new ATOM 0 HB THR A 9 5.070 -6.730 0.348 1.00 11.21 H new ATOM 0 HG1 THR A 9 6.843 -8.353 0.145 1.00 3.54 H new ATOM 0 HG21 THR A 9 3.421 -8.074 -0.916 1.00 51.23 H new ATOM 0 HG22 THR A 9 3.627 -6.440 -1.590 1.00 51.23 H new ATOM 0 HG23 THR A 9 4.381 -7.837 -2.395 1.00 51.23 H new ATOM 161 N ASN A 10 8.435 -7.297 -2.122 1.00 72.42 N ATOM 162 CA ASN A 10 9.308 -7.997 -3.075 1.00 62.23 C ATOM 163 C ASN A 10 9.054 -9.518 -2.988 1.00 13.41 C ATOM 164 O ASN A 10 9.257 -10.248 -3.958 1.00 43.23 O ATOM 165 CB ASN A 10 10.802 -7.647 -2.786 1.00 63.23 C ATOM 166 CG ASN A 10 11.773 -7.967 -3.942 1.00 12.31 C ATOM 167 OD1 ASN A 10 12.853 -7.212 -4.035 1.00 24.12 O flip ATOM 168 ND2 ASN A 10 11.560 -8.875 -4.748 1.00 4.21 N flip ATOM 0 H ASN A 10 8.886 -7.093 -1.230 1.00 72.42 H new ATOM 0 HA ASN A 10 9.082 -7.672 -4.091 1.00 62.23 H new ATOM 0 HB2 ASN A 10 10.874 -6.585 -2.552 1.00 63.23 H new ATOM 0 HB3 ASN A 10 11.124 -8.191 -1.898 1.00 63.23 H new ATOM 0 HD21 ASN A 10 10.721 -9.448 -4.661 1.00 4.21 H new ATOM 0 HD22 ASN A 10 12.223 -9.053 -5.502 1.00 4.21 H new ATOM 175 N ASN A 11 8.563 -9.975 -1.823 1.00 32.24 N ATOM 176 CA ASN A 11 8.356 -11.406 -1.526 1.00 24.54 C ATOM 177 C ASN A 11 6.924 -11.846 -1.909 1.00 41.53 C ATOM 178 O ASN A 11 5.922 -11.412 -1.310 1.00 55.13 O ATOM 179 CB ASN A 11 8.667 -11.664 -0.034 1.00 43.13 C ATOM 180 CG ASN A 11 8.536 -13.126 0.406 1.00 10.23 C ATOM 181 OD1 ASN A 11 8.643 -14.051 -0.397 1.00 11.20 O ATOM 182 ND2 ASN A 11 8.356 -13.337 1.700 1.00 63.24 N ATOM 0 H ASN A 11 8.296 -9.359 -1.055 1.00 32.24 H new ATOM 0 HA ASN A 11 9.037 -12.009 -2.127 1.00 24.54 H new ATOM 0 HB2 ASN A 11 9.682 -11.326 0.175 1.00 43.13 H new ATOM 0 HB3 ASN A 11 7.997 -11.055 0.573 1.00 43.13 H new ATOM 0 HD21 ASN A 11 8.302 -14.290 2.059 1.00 63.24 H new ATOM 0 HD22 ASN A 11 8.271 -12.546 2.339 1.00 63.24 H new ATOM 189 N ASP A 12 6.855 -12.733 -2.912 1.00 63.22 N ATOM 190 CA ASP A 12 5.596 -13.198 -3.507 1.00 44.22 C ATOM 191 C ASP A 12 4.796 -14.080 -2.541 1.00 12.20 C ATOM 192 O ASP A 12 3.572 -13.940 -2.452 1.00 73.23 O ATOM 193 CB ASP A 12 5.866 -13.933 -4.847 1.00 15.42 C ATOM 194 CG ASP A 12 6.391 -12.981 -5.941 1.00 33.13 C ATOM 195 OD1 ASP A 12 5.577 -12.234 -6.522 1.00 10.23 O ATOM 196 OD2 ASP A 12 7.607 -12.965 -6.214 1.00 63.14 O ATOM 0 H ASP A 12 7.682 -13.152 -3.337 1.00 63.22 H new ATOM 0 HA ASP A 12 4.984 -12.320 -3.713 1.00 44.22 H new ATOM 0 HB2 ASP A 12 6.592 -14.729 -4.682 1.00 15.42 H new ATOM 0 HB3 ASP A 12 4.946 -14.406 -5.191 1.00 15.42 H new ATOM 201 N GLU A 13 5.485 -14.964 -1.795 1.00 21.43 N ATOM 202 CA GLU A 13 4.822 -15.837 -0.816 1.00 21.33 C ATOM 203 C GLU A 13 4.263 -14.995 0.355 1.00 44.54 C ATOM 204 O GLU A 13 3.277 -15.384 0.993 1.00 33.12 O ATOM 205 CB GLU A 13 5.771 -16.989 -0.347 1.00 13.45 C ATOM 206 CG GLU A 13 6.964 -16.597 0.564 1.00 44.42 C ATOM 207 CD GLU A 13 6.633 -16.549 2.074 1.00 12.32 C ATOM 208 OE1 GLU A 13 6.469 -17.624 2.680 1.00 51.32 O ATOM 209 OE2 GLU A 13 6.530 -15.450 2.648 1.00 42.43 O ATOM 0 H GLU A 13 6.496 -15.090 -1.853 1.00 21.43 H new ATOM 0 HA GLU A 13 3.973 -16.327 -1.292 1.00 21.33 H new ATOM 0 HB2 GLU A 13 5.170 -17.728 0.183 1.00 13.45 H new ATOM 0 HB3 GLU A 13 6.170 -17.480 -1.234 1.00 13.45 H new ATOM 0 HG2 GLU A 13 7.774 -17.309 0.406 1.00 44.42 H new ATOM 0 HG3 GLU A 13 7.334 -15.619 0.255 1.00 44.42 H new ATOM 216 N LEU A 14 4.891 -13.817 0.600 1.00 64.11 N ATOM 217 CA LEU A 14 4.437 -12.865 1.617 1.00 20.11 C ATOM 218 C LEU A 14 3.096 -12.246 1.205 1.00 44.04 C ATOM 219 O LEU A 14 2.225 -12.107 2.056 1.00 31.44 O ATOM 220 CB LEU A 14 5.474 -11.745 1.857 1.00 44.34 C ATOM 221 CG LEU A 14 5.176 -10.811 3.067 1.00 12.01 C ATOM 222 CD1 LEU A 14 5.311 -11.567 4.400 1.00 34.24 C ATOM 223 CD2 LEU A 14 6.049 -9.549 3.041 1.00 12.40 C ATOM 0 H LEU A 14 5.722 -13.512 0.094 1.00 64.11 H new ATOM 0 HA LEU A 14 4.314 -13.417 2.549 1.00 20.11 H new ATOM 0 HB2 LEU A 14 6.452 -12.203 2.005 1.00 44.34 H new ATOM 0 HB3 LEU A 14 5.541 -11.135 0.956 1.00 44.34 H new ATOM 0 HG LEU A 14 4.140 -10.483 2.978 1.00 12.01 H new ATOM 0 HD11 LEU A 14 5.097 -10.889 5.226 1.00 34.24 H new ATOM 0 HD12 LEU A 14 4.605 -12.398 4.420 1.00 34.24 H new ATOM 0 HD13 LEU A 14 6.326 -11.951 4.499 1.00 34.24 H new ATOM 0 HD21 LEU A 14 5.811 -8.924 3.902 1.00 12.40 H new ATOM 0 HD22 LEU A 14 7.101 -9.833 3.079 1.00 12.40 H new ATOM 0 HD23 LEU A 14 5.857 -8.992 2.124 1.00 12.40 H new ATOM 235 N ILE A 15 2.953 -11.891 -0.109 1.00 24.53 N ATOM 236 CA ILE A 15 1.691 -11.308 -0.664 1.00 3.15 C ATOM 237 C ILE A 15 0.452 -12.133 -0.232 1.00 41.11 C ATOM 238 O ILE A 15 -0.571 -11.565 0.158 1.00 32.22 O ATOM 239 CB ILE A 15 1.682 -11.200 -2.244 1.00 42.24 C ATOM 240 CG1 ILE A 15 2.980 -10.528 -2.790 1.00 5.21 C ATOM 241 CG2 ILE A 15 0.432 -10.421 -2.732 1.00 31.43 C ATOM 242 CD1 ILE A 15 3.087 -10.489 -4.310 1.00 72.33 C ATOM 0 H ILE A 15 3.695 -11.999 -0.801 1.00 24.53 H new ATOM 0 HA ILE A 15 1.646 -10.300 -0.253 1.00 3.15 H new ATOM 0 HB ILE A 15 1.644 -12.216 -2.636 1.00 42.24 H new ATOM 0 HG12 ILE A 15 3.032 -9.508 -2.410 1.00 5.21 H new ATOM 0 HG13 ILE A 15 3.844 -11.061 -2.392 1.00 5.21 H new ATOM 0 HG21 ILE A 15 0.445 -10.358 -3.820 1.00 31.43 H new ATOM 0 HG22 ILE A 15 -0.470 -10.941 -2.409 1.00 31.43 H new ATOM 0 HG23 ILE A 15 0.442 -9.416 -2.310 1.00 31.43 H new ATOM 0 HD11 ILE A 15 4.020 -10.005 -4.597 1.00 72.33 H new ATOM 0 HD12 ILE A 15 3.071 -11.506 -4.702 1.00 72.33 H new ATOM 0 HD13 ILE A 15 2.247 -9.929 -4.720 1.00 72.33 H new ATOM 254 N LYS A 16 0.604 -13.478 -0.268 1.00 51.34 N ATOM 255 CA LYS A 16 -0.452 -14.435 0.138 1.00 40.52 C ATOM 256 C LYS A 16 -0.848 -14.208 1.608 1.00 33.14 C ATOM 257 O LYS A 16 -2.023 -14.076 1.937 1.00 3.54 O ATOM 258 CB LYS A 16 0.036 -15.900 -0.018 1.00 65.24 C ATOM 259 CG LYS A 16 0.558 -16.280 -1.419 1.00 34.14 C ATOM 260 CD LYS A 16 0.919 -17.785 -1.524 1.00 62.21 C ATOM 261 CE LYS A 16 1.930 -18.235 -0.449 1.00 71.14 C ATOM 262 NZ LYS A 16 2.324 -19.661 -0.600 1.00 41.52 N ATOM 0 H LYS A 16 1.463 -13.930 -0.580 1.00 51.34 H new ATOM 0 HA LYS A 16 -1.312 -14.267 -0.510 1.00 40.52 H new ATOM 0 HB2 LYS A 16 0.830 -16.079 0.707 1.00 65.24 H new ATOM 0 HB3 LYS A 16 -0.787 -16.568 0.238 1.00 65.24 H new ATOM 0 HG2 LYS A 16 -0.199 -16.037 -2.165 1.00 34.14 H new ATOM 0 HG3 LYS A 16 1.438 -15.680 -1.651 1.00 34.14 H new ATOM 0 HD2 LYS A 16 0.010 -18.379 -1.432 1.00 62.21 H new ATOM 0 HD3 LYS A 16 1.333 -17.986 -2.512 1.00 62.21 H new ATOM 0 HE2 LYS A 16 2.819 -17.608 -0.506 1.00 71.14 H new ATOM 0 HE3 LYS A 16 1.496 -18.084 0.539 1.00 71.14 H new ATOM 0 HZ1 LYS A 16 3.004 -19.914 0.145 1.00 41.52 H new ATOM 0 HZ2 LYS A 16 1.481 -20.265 -0.519 1.00 41.52 H new ATOM 0 HZ3 LYS A 16 2.763 -19.803 -1.532 1.00 41.52 H new ATOM 276 N LYS A 17 0.184 -14.139 2.463 1.00 54.52 N ATOM 277 CA LYS A 17 0.051 -14.004 3.924 1.00 63.14 C ATOM 278 C LYS A 17 -0.534 -12.630 4.316 1.00 30.05 C ATOM 279 O LYS A 17 -1.253 -12.524 5.317 1.00 13.13 O ATOM 280 CB LYS A 17 1.446 -14.231 4.556 1.00 52.53 C ATOM 281 CG LYS A 17 2.002 -15.666 4.321 1.00 73.21 C ATOM 282 CD LYS A 17 3.544 -15.738 4.282 1.00 24.43 C ATOM 283 CE LYS A 17 4.236 -15.231 5.555 1.00 54.54 C ATOM 284 NZ LYS A 17 5.717 -15.387 5.461 1.00 72.15 N ATOM 0 H LYS A 17 1.155 -14.176 2.153 1.00 54.52 H new ATOM 0 HA LYS A 17 -0.649 -14.749 4.301 1.00 63.14 H new ATOM 0 HB2 LYS A 17 2.147 -13.505 4.143 1.00 52.53 H new ATOM 0 HB3 LYS A 17 1.387 -14.043 5.628 1.00 52.53 H new ATOM 0 HG2 LYS A 17 1.637 -16.321 5.112 1.00 73.21 H new ATOM 0 HG3 LYS A 17 1.606 -16.050 3.381 1.00 73.21 H new ATOM 0 HD2 LYS A 17 3.843 -16.772 4.108 1.00 24.43 H new ATOM 0 HD3 LYS A 17 3.901 -15.156 3.433 1.00 24.43 H new ATOM 0 HE2 LYS A 17 3.987 -14.182 5.714 1.00 54.54 H new ATOM 0 HE3 LYS A 17 3.863 -15.782 6.419 1.00 54.54 H new ATOM 0 HZ1 LYS A 17 6.181 -14.584 5.932 1.00 72.15 H new ATOM 0 HZ2 LYS A 17 6.003 -16.273 5.925 1.00 72.15 H new ATOM 0 HZ3 LYS A 17 6.001 -15.413 4.461 1.00 72.15 H new ATOM 298 N ILE A 18 -0.229 -11.602 3.498 1.00 45.42 N ATOM 299 CA ILE A 18 -0.805 -10.252 3.637 1.00 1.12 C ATOM 300 C ILE A 18 -2.316 -10.345 3.408 1.00 22.32 C ATOM 301 O ILE A 18 -3.086 -9.974 4.286 1.00 41.52 O ATOM 302 CB ILE A 18 -0.154 -9.231 2.621 1.00 61.50 C ATOM 303 CG1 ILE A 18 1.387 -9.131 2.862 1.00 33.22 C ATOM 304 CG2 ILE A 18 -0.819 -7.830 2.709 1.00 31.35 C ATOM 305 CD1 ILE A 18 2.159 -8.388 1.792 1.00 74.21 C ATOM 0 H ILE A 18 0.426 -11.687 2.721 1.00 45.42 H new ATOM 0 HA ILE A 18 -0.597 -9.878 4.640 1.00 1.12 H new ATOM 0 HB ILE A 18 -0.326 -9.609 1.613 1.00 61.50 H new ATOM 0 HG12 ILE A 18 1.558 -8.638 3.819 1.00 33.22 H new ATOM 0 HG13 ILE A 18 1.792 -10.140 2.946 1.00 33.22 H new ATOM 0 HG21 ILE A 18 -0.344 -7.156 1.996 1.00 31.35 H new ATOM 0 HG22 ILE A 18 -1.880 -7.916 2.476 1.00 31.35 H new ATOM 0 HG23 ILE A 18 -0.700 -7.433 3.717 1.00 31.35 H new ATOM 0 HD11 ILE A 18 3.218 -8.374 2.051 1.00 74.21 H new ATOM 0 HD12 ILE A 18 2.027 -8.890 0.833 1.00 74.21 H new ATOM 0 HD13 ILE A 18 1.789 -7.365 1.720 1.00 74.21 H new ATOM 317 N LYS A 19 -2.701 -10.950 2.250 1.00 12.15 N ATOM 318 CA LYS A 19 -4.111 -11.154 1.860 1.00 53.13 C ATOM 319 C LYS A 19 -4.890 -11.859 2.988 1.00 24.14 C ATOM 320 O LYS A 19 -5.949 -11.392 3.380 1.00 61.01 O ATOM 321 CB LYS A 19 -4.217 -11.984 0.543 1.00 62.23 C ATOM 322 CG LYS A 19 -3.623 -11.305 -0.714 1.00 22.43 C ATOM 323 CD LYS A 19 -3.794 -12.175 -1.988 1.00 50.40 C ATOM 324 CE LYS A 19 -3.247 -11.507 -3.263 1.00 23.22 C ATOM 325 NZ LYS A 19 -3.454 -12.356 -4.476 1.00 63.35 N ATOM 0 H LYS A 19 -2.035 -11.308 1.565 1.00 12.15 H new ATOM 0 HA LYS A 19 -4.551 -10.172 1.685 1.00 53.13 H new ATOM 0 HB2 LYS A 19 -3.713 -12.939 0.693 1.00 62.23 H new ATOM 0 HB3 LYS A 19 -5.268 -12.204 0.355 1.00 62.23 H new ATOM 0 HG2 LYS A 19 -4.108 -10.341 -0.867 1.00 22.43 H new ATOM 0 HG3 LYS A 19 -2.564 -11.107 -0.551 1.00 22.43 H new ATOM 0 HD2 LYS A 19 -3.286 -13.128 -1.839 1.00 50.40 H new ATOM 0 HD3 LYS A 19 -4.852 -12.397 -2.128 1.00 50.40 H new ATOM 0 HE2 LYS A 19 -3.738 -10.545 -3.407 1.00 23.22 H new ATOM 0 HE3 LYS A 19 -2.183 -11.307 -3.139 1.00 23.22 H new ATOM 0 HZ1 LYS A 19 -3.071 -11.868 -5.311 1.00 63.35 H new ATOM 0 HZ2 LYS A 19 -2.964 -13.265 -4.351 1.00 63.35 H new ATOM 0 HZ3 LYS A 19 -4.471 -12.527 -4.611 1.00 63.35 H new ATOM 339 N LYS A 20 -4.290 -12.940 3.539 1.00 51.51 N ATOM 340 CA LYS A 20 -4.899 -13.765 4.602 1.00 42.24 C ATOM 341 C LYS A 20 -5.140 -12.959 5.896 1.00 2.40 C ATOM 342 O LYS A 20 -6.158 -13.155 6.571 1.00 4.34 O ATOM 343 CB LYS A 20 -4.010 -15.011 4.881 1.00 63.13 C ATOM 344 CG LYS A 20 -3.915 -16.010 3.701 1.00 52.25 C ATOM 345 CD LYS A 20 -5.279 -16.616 3.284 1.00 43.11 C ATOM 346 CE LYS A 20 -5.886 -17.523 4.367 1.00 12.54 C ATOM 347 NZ LYS A 20 -7.264 -17.942 4.013 1.00 4.23 N ATOM 0 H LYS A 20 -3.365 -13.264 3.255 1.00 51.51 H new ATOM 0 HA LYS A 20 -5.876 -14.096 4.250 1.00 42.24 H new ATOM 0 HB2 LYS A 20 -3.005 -14.675 5.137 1.00 63.13 H new ATOM 0 HB3 LYS A 20 -4.403 -15.534 5.753 1.00 63.13 H new ATOM 0 HG2 LYS A 20 -3.475 -15.503 2.842 1.00 52.25 H new ATOM 0 HG3 LYS A 20 -3.237 -16.818 3.975 1.00 52.25 H new ATOM 0 HD2 LYS A 20 -5.976 -15.809 3.060 1.00 43.11 H new ATOM 0 HD3 LYS A 20 -5.151 -17.190 2.366 1.00 43.11 H new ATOM 0 HE2 LYS A 20 -5.259 -18.405 4.499 1.00 12.54 H new ATOM 0 HE3 LYS A 20 -5.898 -16.995 5.321 1.00 12.54 H new ATOM 0 HZ1 LYS A 20 -7.645 -18.553 4.764 1.00 4.23 H new ATOM 0 HZ2 LYS A 20 -7.867 -17.101 3.911 1.00 4.23 H new ATOM 0 HZ3 LYS A 20 -7.247 -18.467 3.115 1.00 4.23 H new ATOM 361 N GLU A 21 -4.196 -12.055 6.233 1.00 42.02 N ATOM 362 CA GLU A 21 -4.350 -11.118 7.368 1.00 60.32 C ATOM 363 C GLU A 21 -5.540 -10.180 7.146 1.00 3.43 C ATOM 364 O GLU A 21 -6.342 -9.959 8.051 1.00 33.42 O ATOM 365 CB GLU A 21 -3.043 -10.302 7.588 1.00 31.52 C ATOM 366 CG GLU A 21 -1.917 -11.106 8.261 1.00 22.41 C ATOM 367 CD GLU A 21 -2.273 -11.506 9.705 1.00 70.21 C ATOM 368 OE1 GLU A 21 -2.116 -10.666 10.610 1.00 11.52 O ATOM 369 OE2 GLU A 21 -2.757 -12.640 9.932 1.00 33.14 O ATOM 0 H GLU A 21 -3.313 -11.954 5.732 1.00 42.02 H new ATOM 0 HA GLU A 21 -4.544 -11.705 8.266 1.00 60.32 H new ATOM 0 HB2 GLU A 21 -2.689 -9.934 6.625 1.00 31.52 H new ATOM 0 HB3 GLU A 21 -3.269 -9.429 8.200 1.00 31.52 H new ATOM 0 HG2 GLU A 21 -1.714 -12.003 7.677 1.00 22.41 H new ATOM 0 HG3 GLU A 21 -1.002 -10.514 8.265 1.00 22.41 H new ATOM 376 N VAL A 22 -5.657 -9.685 5.914 1.00 45.15 N ATOM 377 CA VAL A 22 -6.700 -8.731 5.513 1.00 50.42 C ATOM 378 C VAL A 22 -8.080 -9.423 5.435 1.00 43.22 C ATOM 379 O VAL A 22 -9.110 -8.776 5.638 1.00 1.20 O ATOM 380 CB VAL A 22 -6.322 -8.070 4.137 1.00 15.12 C ATOM 381 CG1 VAL A 22 -7.307 -6.960 3.735 1.00 74.51 C ATOM 382 CG2 VAL A 22 -4.885 -7.520 4.172 1.00 63.21 C ATOM 0 H VAL A 22 -5.024 -9.936 5.154 1.00 45.15 H new ATOM 0 HA VAL A 22 -6.767 -7.948 6.268 1.00 50.42 H new ATOM 0 HB VAL A 22 -6.385 -8.853 3.381 1.00 15.12 H new ATOM 0 HG11 VAL A 22 -7.004 -6.534 2.778 1.00 74.51 H new ATOM 0 HG12 VAL A 22 -8.310 -7.378 3.645 1.00 74.51 H new ATOM 0 HG13 VAL A 22 -7.306 -6.180 4.496 1.00 74.51 H new ATOM 0 HG21 VAL A 22 -4.645 -7.067 3.210 1.00 63.21 H new ATOM 0 HG22 VAL A 22 -4.802 -6.769 4.957 1.00 63.21 H new ATOM 0 HG23 VAL A 22 -4.189 -8.334 4.374 1.00 63.21 H new ATOM 392 N GLU A 23 -8.080 -10.745 5.163 1.00 11.15 N ATOM 393 CA GLU A 23 -9.303 -11.572 5.162 1.00 10.33 C ATOM 394 C GLU A 23 -9.819 -11.797 6.596 1.00 4.24 C ATOM 395 O GLU A 23 -11.030 -11.925 6.812 1.00 11.05 O ATOM 396 CB GLU A 23 -9.059 -12.941 4.462 1.00 41.34 C ATOM 397 CG GLU A 23 -8.697 -12.851 2.963 1.00 71.32 C ATOM 398 CD GLU A 23 -9.754 -12.126 2.114 1.00 33.10 C ATOM 399 OE1 GLU A 23 -10.760 -12.767 1.727 1.00 74.30 O ATOM 400 OE2 GLU A 23 -9.592 -10.917 1.843 1.00 41.21 O ATOM 0 H GLU A 23 -7.233 -11.267 4.938 1.00 11.15 H new ATOM 0 HA GLU A 23 -10.062 -11.029 4.599 1.00 10.33 H new ATOM 0 HB2 GLU A 23 -8.256 -13.461 4.984 1.00 41.34 H new ATOM 0 HB3 GLU A 23 -9.956 -13.551 4.568 1.00 41.34 H new ATOM 0 HG2 GLU A 23 -7.743 -12.334 2.859 1.00 71.32 H new ATOM 0 HG3 GLU A 23 -8.558 -13.858 2.571 1.00 71.32 H new ATOM 407 N ASN A 24 -8.887 -11.840 7.571 1.00 22.04 N ATOM 408 CA ASN A 24 -9.225 -11.977 9.005 1.00 45.11 C ATOM 409 C ASN A 24 -9.811 -10.662 9.547 1.00 44.04 C ATOM 410 O ASN A 24 -10.612 -10.661 10.487 1.00 31.52 O ATOM 411 CB ASN A 24 -7.968 -12.363 9.838 1.00 30.34 C ATOM 412 CG ASN A 24 -7.393 -13.737 9.498 1.00 64.14 C ATOM 413 OD1 ASN A 24 -8.099 -14.634 9.039 1.00 71.14 O ATOM 414 ND2 ASN A 24 -6.109 -13.919 9.746 1.00 2.40 N ATOM 0 H ASN A 24 -7.885 -11.781 7.389 1.00 22.04 H new ATOM 0 HA ASN A 24 -9.967 -12.770 9.098 1.00 45.11 H new ATOM 0 HB2 ASN A 24 -7.196 -11.609 9.682 1.00 30.34 H new ATOM 0 HB3 ASN A 24 -8.226 -12.341 10.897 1.00 30.34 H new ATOM 0 HD21 ASN A 24 -5.676 -14.823 9.557 1.00 2.40 H new ATOM 0 HD22 ASN A 24 -5.550 -13.156 10.127 1.00 2.40 H new ATOM 421 N GLN A 25 -9.381 -9.544 8.942 1.00 2.34 N ATOM 422 CA GLN A 25 -9.812 -8.191 9.328 1.00 61.01 C ATOM 423 C GLN A 25 -11.086 -7.791 8.560 1.00 21.02 C ATOM 424 O GLN A 25 -11.883 -6.984 9.040 1.00 21.34 O ATOM 425 CB GLN A 25 -8.654 -7.200 9.055 1.00 3.22 C ATOM 426 CG GLN A 25 -7.325 -7.571 9.766 1.00 24.31 C ATOM 427 CD GLN A 25 -7.303 -7.352 11.291 1.00 22.33 C ATOM 428 OE1 GLN A 25 -8.317 -7.438 11.981 1.00 31.14 O ATOM 429 NE2 GLN A 25 -6.124 -7.080 11.831 1.00 13.31 N ATOM 0 H GLN A 25 -8.720 -9.553 8.166 1.00 2.34 H new ATOM 0 HA GLN A 25 -10.054 -8.169 10.390 1.00 61.01 H new ATOM 0 HB2 GLN A 25 -8.478 -7.150 7.981 1.00 3.22 H new ATOM 0 HB3 GLN A 25 -8.959 -6.204 9.374 1.00 3.22 H new ATOM 0 HG2 GLN A 25 -7.106 -8.620 9.564 1.00 24.31 H new ATOM 0 HG3 GLN A 25 -6.520 -6.986 9.321 1.00 24.31 H new ATOM 0 HE21 GLN A 25 -5.295 -7.013 11.240 1.00 13.31 H new ATOM 0 HE22 GLN A 25 -6.045 -6.937 12.838 1.00 13.31 H new ATOM 438 N GLY A 26 -11.268 -8.376 7.367 1.00 4.43 N ATOM 439 CA GLY A 26 -12.440 -8.122 6.534 1.00 12.43 C ATOM 440 C GLY A 26 -12.361 -6.798 5.779 1.00 55.22 C ATOM 441 O GLY A 26 -13.306 -6.011 5.813 1.00 43.43 O ATOM 0 H GLY A 26 -10.606 -9.036 6.958 1.00 4.43 H new ATOM 0 HA2 GLY A 26 -12.553 -8.936 5.818 1.00 12.43 H new ATOM 0 HA3 GLY A 26 -13.332 -8.123 7.161 1.00 12.43 H new ATOM 445 N TYR A 27 -11.205 -6.535 5.136 1.00 22.12 N ATOM 446 CA TYR A 27 -10.999 -5.354 4.249 1.00 63.01 C ATOM 447 C TYR A 27 -10.923 -5.814 2.779 1.00 54.34 C ATOM 448 O TYR A 27 -10.850 -7.016 2.500 1.00 43.44 O ATOM 449 CB TYR A 27 -9.690 -4.594 4.619 1.00 12.51 C ATOM 450 CG TYR A 27 -9.692 -3.778 5.924 1.00 64.43 C ATOM 451 CD1 TYR A 27 -10.361 -4.210 7.072 1.00 72.21 C ATOM 452 CD2 TYR A 27 -8.981 -2.577 6.006 1.00 61.04 C ATOM 453 CE1 TYR A 27 -10.342 -3.470 8.236 1.00 15.15 C ATOM 454 CE2 TYR A 27 -8.959 -1.840 7.168 1.00 54.05 C ATOM 455 CZ TYR A 27 -9.640 -2.291 8.283 1.00 72.44 C ATOM 456 OH TYR A 27 -9.634 -1.547 9.445 1.00 54.40 O ATOM 0 H TYR A 27 -10.382 -7.132 5.212 1.00 22.12 H new ATOM 0 HA TYR A 27 -11.843 -4.677 4.385 1.00 63.01 H new ATOM 0 HB2 TYR A 27 -8.882 -5.323 4.678 1.00 12.51 H new ATOM 0 HB3 TYR A 27 -9.449 -3.918 3.799 1.00 12.51 H new ATOM 0 HD1 TYR A 27 -10.904 -5.143 7.048 1.00 72.21 H new ATOM 0 HD2 TYR A 27 -8.439 -2.221 5.142 1.00 61.04 H new ATOM 0 HE1 TYR A 27 -10.878 -3.817 9.107 1.00 15.15 H new ATOM 0 HE2 TYR A 27 -8.410 -0.911 7.209 1.00 54.05 H new ATOM 0 HH TYR A 27 -9.091 -0.742 9.315 1.00 54.40 H new ATOM 466 N GLN A 28 -10.922 -4.842 1.845 1.00 23.33 N ATOM 467 CA GLN A 28 -10.934 -5.112 0.388 1.00 71.31 C ATOM 468 C GLN A 28 -9.492 -5.183 -0.148 1.00 20.40 C ATOM 469 O GLN A 28 -8.766 -4.192 -0.100 1.00 61.34 O ATOM 470 CB GLN A 28 -11.733 -4.004 -0.367 1.00 13.12 C ATOM 471 CG GLN A 28 -13.270 -4.060 -0.208 1.00 65.05 C ATOM 472 CD GLN A 28 -13.761 -3.968 1.241 1.00 21.31 C ATOM 473 OE1 GLN A 28 -13.980 -4.984 1.903 1.00 32.10 O ATOM 474 NE2 GLN A 28 -13.904 -2.764 1.763 1.00 70.00 N ATOM 0 H GLN A 28 -10.913 -3.849 2.076 1.00 23.33 H new ATOM 0 HA GLN A 28 -11.424 -6.070 0.216 1.00 71.31 H new ATOM 0 HB2 GLN A 28 -11.385 -3.031 -0.020 1.00 13.12 H new ATOM 0 HB3 GLN A 28 -11.493 -4.068 -1.428 1.00 13.12 H new ATOM 0 HG2 GLN A 28 -13.712 -3.245 -0.781 1.00 65.05 H new ATOM 0 HG3 GLN A 28 -13.634 -4.990 -0.644 1.00 65.05 H new ATOM 0 HE21 GLN A 28 -13.717 -1.937 1.196 1.00 70.00 H new ATOM 0 HE22 GLN A 28 -14.201 -2.661 2.733 1.00 70.00 H new ATOM 483 N VAL A 29 -9.092 -6.368 -0.650 1.00 54.04 N ATOM 484 CA VAL A 29 -7.763 -6.590 -1.256 1.00 54.34 C ATOM 485 C VAL A 29 -7.849 -6.418 -2.779 1.00 50.42 C ATOM 486 O VAL A 29 -8.594 -7.145 -3.440 1.00 61.23 O ATOM 487 CB VAL A 29 -7.208 -8.039 -0.966 1.00 33.04 C ATOM 488 CG1 VAL A 29 -5.758 -8.196 -1.492 1.00 73.53 C ATOM 489 CG2 VAL A 29 -7.298 -8.383 0.531 1.00 24.15 C ATOM 0 H VAL A 29 -9.682 -7.200 -0.647 1.00 54.04 H new ATOM 0 HA VAL A 29 -7.089 -5.858 -0.811 1.00 54.34 H new ATOM 0 HB VAL A 29 -7.836 -8.749 -1.504 1.00 33.04 H new ATOM 0 HG11 VAL A 29 -5.401 -9.203 -1.279 1.00 73.53 H new ATOM 0 HG12 VAL A 29 -5.741 -8.025 -2.568 1.00 73.53 H new ATOM 0 HG13 VAL A 29 -5.112 -7.470 -0.999 1.00 73.53 H new ATOM 0 HG21 VAL A 29 -6.908 -9.387 0.698 1.00 24.15 H new ATOM 0 HG22 VAL A 29 -6.711 -7.666 1.105 1.00 24.15 H new ATOM 0 HG23 VAL A 29 -8.339 -8.340 0.852 1.00 24.15 H new ATOM 499 N ARG A 30 -7.119 -5.434 -3.325 1.00 12.15 N ATOM 500 CA ARG A 30 -6.866 -5.343 -4.773 1.00 73.45 C ATOM 501 C ARG A 30 -5.353 -5.224 -4.979 1.00 21.11 C ATOM 502 O ARG A 30 -4.754 -4.205 -4.629 1.00 11.15 O ATOM 503 CB ARG A 30 -7.597 -4.140 -5.450 1.00 52.13 C ATOM 504 CG ARG A 30 -9.155 -4.202 -5.434 1.00 33.44 C ATOM 505 CD ARG A 30 -9.781 -3.650 -4.136 1.00 24.34 C ATOM 506 NE ARG A 30 -11.251 -3.758 -4.111 1.00 52.21 N ATOM 507 CZ ARG A 30 -12.118 -2.860 -4.611 1.00 43.14 C ATOM 508 NH1 ARG A 30 -11.714 -1.741 -5.199 1.00 73.13 N ATOM 509 NH2 ARG A 30 -13.417 -3.080 -4.492 1.00 62.33 N ATOM 0 H ARG A 30 -6.690 -4.685 -2.782 1.00 12.15 H new ATOM 0 HA ARG A 30 -7.263 -6.240 -5.247 1.00 73.45 H new ATOM 0 HB2 ARG A 30 -7.283 -3.222 -4.954 1.00 52.13 H new ATOM 0 HB3 ARG A 30 -7.265 -4.073 -6.486 1.00 52.13 H new ATOM 0 HG2 ARG A 30 -9.542 -3.638 -6.283 1.00 33.44 H new ATOM 0 HG3 ARG A 30 -9.471 -5.237 -5.569 1.00 33.44 H new ATOM 0 HD2 ARG A 30 -9.369 -4.189 -3.283 1.00 24.34 H new ATOM 0 HD3 ARG A 30 -9.498 -2.604 -4.019 1.00 24.34 H new ATOM 0 HE ARG A 30 -11.647 -4.590 -3.674 1.00 52.21 H new ATOM 0 HH11 ARG A 30 -10.718 -1.540 -5.283 1.00 73.13 H new ATOM 0 HH12 ARG A 30 -12.400 -1.082 -5.567 1.00 73.13 H new ATOM 0 HH21 ARG A 30 -13.751 -3.923 -4.025 1.00 62.33 H new ATOM 0 HH22 ARG A 30 -14.085 -2.406 -4.867 1.00 62.33 H new ATOM 523 N ASP A 31 -4.737 -6.290 -5.502 1.00 31.03 N ATOM 524 CA ASP A 31 -3.307 -6.297 -5.838 1.00 41.14 C ATOM 525 C ASP A 31 -3.119 -5.745 -7.266 1.00 44.42 C ATOM 526 O ASP A 31 -3.652 -6.292 -8.234 1.00 41.30 O ATOM 527 CB ASP A 31 -2.680 -7.722 -5.675 1.00 12.43 C ATOM 528 CG ASP A 31 -3.448 -8.834 -6.407 1.00 33.44 C ATOM 529 OD1 ASP A 31 -4.454 -9.334 -5.852 1.00 61.21 O ATOM 530 OD2 ASP A 31 -3.072 -9.202 -7.542 1.00 11.31 O ATOM 0 H ASP A 31 -5.213 -7.169 -5.704 1.00 31.03 H new ATOM 0 HA ASP A 31 -2.775 -5.651 -5.139 1.00 41.14 H new ATOM 0 HB2 ASP A 31 -1.655 -7.700 -6.044 1.00 12.43 H new ATOM 0 HB3 ASP A 31 -2.632 -7.967 -4.614 1.00 12.43 H new ATOM 535 N VAL A 32 -2.422 -4.606 -7.353 1.00 73.11 N ATOM 536 CA VAL A 32 -2.010 -3.974 -8.605 1.00 1.53 C ATOM 537 C VAL A 32 -0.635 -4.522 -9.043 1.00 1.34 C ATOM 538 O VAL A 32 0.348 -4.465 -8.290 1.00 61.22 O ATOM 539 CB VAL A 32 -1.955 -2.413 -8.430 1.00 12.30 C ATOM 540 CG1 VAL A 32 -1.338 -1.712 -9.661 1.00 62.23 C ATOM 541 CG2 VAL A 32 -3.368 -1.856 -8.122 1.00 21.22 C ATOM 0 H VAL A 32 -2.122 -4.086 -6.528 1.00 73.11 H new ATOM 0 HA VAL A 32 -2.740 -4.207 -9.380 1.00 1.53 H new ATOM 0 HB VAL A 32 -1.302 -2.198 -7.584 1.00 12.30 H new ATOM 0 HG11 VAL A 32 -1.320 -0.635 -9.495 1.00 62.23 H new ATOM 0 HG12 VAL A 32 -0.321 -2.072 -9.813 1.00 62.23 H new ATOM 0 HG13 VAL A 32 -1.937 -1.934 -10.544 1.00 62.23 H new ATOM 0 HG21 VAL A 32 -3.315 -0.774 -8.003 1.00 21.22 H new ATOM 0 HG22 VAL A 32 -4.042 -2.098 -8.944 1.00 21.22 H new ATOM 0 HG23 VAL A 32 -3.743 -2.304 -7.202 1.00 21.22 H new ATOM 551 N ASN A 33 -0.589 -5.065 -10.266 1.00 45.04 N ATOM 552 CA ASN A 33 0.628 -5.638 -10.879 1.00 21.50 C ATOM 553 C ASN A 33 0.967 -4.914 -12.204 1.00 1.24 C ATOM 554 O ASN A 33 1.922 -5.288 -12.891 1.00 5.41 O ATOM 555 CB ASN A 33 0.405 -7.153 -11.138 1.00 73.23 C ATOM 556 CG ASN A 33 0.226 -7.958 -9.847 1.00 61.00 C ATOM 557 OD1 ASN A 33 1.185 -8.495 -9.305 1.00 32.41 O ATOM 558 ND2 ASN A 33 -0.993 -8.020 -9.335 1.00 50.33 N ATOM 0 H ASN A 33 -1.407 -5.122 -10.872 1.00 45.04 H new ATOM 0 HA ASN A 33 1.467 -5.503 -10.196 1.00 21.50 H new ATOM 0 HB2 ASN A 33 -0.476 -7.283 -11.767 1.00 73.23 H new ATOM 0 HB3 ASN A 33 1.255 -7.551 -11.693 1.00 73.23 H new ATOM 0 HD21 ASN A 33 -1.155 -8.526 -8.464 1.00 50.33 H new ATOM 0 HD22 ASN A 33 -1.770 -7.562 -9.811 1.00 50.33 H new ATOM 565 N ASP A 34 0.201 -3.852 -12.535 1.00 13.42 N ATOM 566 CA ASP A 34 0.279 -3.177 -13.852 1.00 63.11 C ATOM 567 C ASP A 34 -0.201 -1.710 -13.748 1.00 65.23 C ATOM 568 O ASP A 34 -1.030 -1.380 -12.893 1.00 30.50 O ATOM 569 CB ASP A 34 -0.565 -3.989 -14.881 1.00 73.11 C ATOM 570 CG ASP A 34 -0.555 -3.408 -16.304 1.00 64.25 C ATOM 571 OD1 ASP A 34 0.406 -3.661 -17.059 1.00 25.33 O ATOM 572 OD2 ASP A 34 -1.503 -2.691 -16.673 1.00 4.45 O ATOM 0 H ASP A 34 -0.485 -3.440 -11.903 1.00 13.42 H new ATOM 0 HA ASP A 34 1.315 -3.145 -14.191 1.00 63.11 H new ATOM 0 HB2 ASP A 34 -0.189 -5.012 -14.916 1.00 73.11 H new ATOM 0 HB3 ASP A 34 -1.595 -4.040 -14.529 1.00 73.11 H new ATOM 577 N SER A 35 0.326 -0.841 -14.639 1.00 54.31 N ATOM 578 CA SER A 35 0.043 0.614 -14.641 1.00 21.44 C ATOM 579 C SER A 35 -1.435 0.931 -14.934 1.00 23.12 C ATOM 580 O SER A 35 -1.988 1.900 -14.402 1.00 3.44 O ATOM 581 CB SER A 35 0.957 1.327 -15.659 1.00 11.11 C ATOM 582 OG SER A 35 2.322 1.122 -15.338 1.00 62.11 O ATOM 0 H SER A 35 0.963 -1.130 -15.381 1.00 54.31 H new ATOM 0 HA SER A 35 0.252 0.985 -13.637 1.00 21.44 H new ATOM 0 HB2 SER A 35 0.754 0.952 -16.662 1.00 11.11 H new ATOM 0 HB3 SER A 35 0.737 2.394 -15.667 1.00 11.11 H new ATOM 0 HG SER A 35 2.885 1.580 -15.996 1.00 62.11 H new ATOM 588 N ASP A 36 -2.080 0.094 -15.754 1.00 51.41 N ATOM 589 CA ASP A 36 -3.492 0.284 -16.127 1.00 73.35 C ATOM 590 C ASP A 36 -4.412 -0.232 -15.014 1.00 53.32 C ATOM 591 O ASP A 36 -5.572 0.183 -14.917 1.00 1.30 O ATOM 592 CB ASP A 36 -3.812 -0.377 -17.485 1.00 2.11 C ATOM 593 CG ASP A 36 -3.027 0.250 -18.650 1.00 41.54 C ATOM 594 OD1 ASP A 36 -3.166 1.476 -18.877 1.00 72.31 O ATOM 595 OD2 ASP A 36 -2.259 -0.464 -19.322 1.00 31.24 O ATOM 0 H ASP A 36 -1.646 -0.727 -16.176 1.00 51.41 H new ATOM 0 HA ASP A 36 -3.673 1.352 -16.246 1.00 73.35 H new ATOM 0 HB2 ASP A 36 -3.583 -1.441 -17.429 1.00 2.11 H new ATOM 0 HB3 ASP A 36 -4.880 -0.291 -17.684 1.00 2.11 H new ATOM 600 N GLU A 37 -3.887 -1.134 -14.164 1.00 14.14 N ATOM 601 CA GLU A 37 -4.615 -1.648 -12.991 1.00 43.34 C ATOM 602 C GLU A 37 -4.822 -0.547 -11.941 1.00 0.12 C ATOM 603 O GLU A 37 -5.928 -0.405 -11.425 1.00 41.04 O ATOM 604 CB GLU A 37 -3.882 -2.866 -12.368 1.00 63.23 C ATOM 605 CG GLU A 37 -3.895 -4.120 -13.255 1.00 32.30 C ATOM 606 CD GLU A 37 -5.310 -4.680 -13.480 1.00 32.11 C ATOM 607 OE1 GLU A 37 -5.827 -5.384 -12.593 1.00 21.10 O ATOM 608 OE2 GLU A 37 -5.931 -4.382 -14.516 1.00 22.51 O ATOM 0 H GLU A 37 -2.951 -1.525 -14.271 1.00 14.14 H new ATOM 0 HA GLU A 37 -5.596 -1.980 -13.332 1.00 43.34 H new ATOM 0 HB2 GLU A 37 -2.848 -2.589 -12.162 1.00 63.23 H new ATOM 0 HB3 GLU A 37 -4.345 -3.105 -11.410 1.00 63.23 H new ATOM 0 HG2 GLU A 37 -3.447 -3.881 -14.219 1.00 32.30 H new ATOM 0 HG3 GLU A 37 -3.274 -4.890 -12.797 1.00 32.30 H new ATOM 615 N LEU A 38 -3.769 0.255 -11.662 1.00 14.32 N ATOM 616 CA LEU A 38 -3.836 1.285 -10.604 1.00 23.04 C ATOM 617 C LEU A 38 -4.836 2.392 -10.962 1.00 40.42 C ATOM 618 O LEU A 38 -5.618 2.804 -10.116 1.00 61.21 O ATOM 619 CB LEU A 38 -2.420 1.857 -10.263 1.00 24.33 C ATOM 620 CG LEU A 38 -1.646 2.707 -11.344 1.00 30.20 C ATOM 621 CD1 LEU A 38 -2.030 4.202 -11.324 1.00 10.11 C ATOM 622 CD2 LEU A 38 -0.129 2.561 -11.187 1.00 45.32 C ATOM 0 H LEU A 38 -2.874 0.209 -12.149 1.00 14.32 H new ATOM 0 HA LEU A 38 -4.205 0.802 -9.699 1.00 23.04 H new ATOM 0 HB2 LEU A 38 -2.524 2.477 -9.373 1.00 24.33 H new ATOM 0 HB3 LEU A 38 -1.784 1.014 -9.993 1.00 24.33 H new ATOM 0 HG LEU A 38 -1.949 2.303 -12.310 1.00 30.20 H new ATOM 0 HD11 LEU A 38 -1.464 4.733 -12.090 1.00 10.11 H new ATOM 0 HD12 LEU A 38 -3.097 4.306 -11.523 1.00 10.11 H new ATOM 0 HD13 LEU A 38 -1.800 4.624 -10.345 1.00 10.11 H new ATOM 0 HD21 LEU A 38 0.375 3.159 -11.947 1.00 45.32 H new ATOM 0 HD22 LEU A 38 0.169 2.906 -10.197 1.00 45.32 H new ATOM 0 HD23 LEU A 38 0.150 1.514 -11.305 1.00 45.32 H new ATOM 634 N LYS A 39 -4.824 2.822 -12.240 1.00 60.24 N ATOM 635 CA LYS A 39 -5.670 3.934 -12.709 1.00 53.44 C ATOM 636 C LYS A 39 -7.145 3.501 -12.759 1.00 42.21 C ATOM 637 O LYS A 39 -8.034 4.307 -12.490 1.00 43.45 O ATOM 638 CB LYS A 39 -5.182 4.454 -14.091 1.00 32.33 C ATOM 639 CG LYS A 39 -5.323 3.442 -15.249 1.00 14.51 C ATOM 640 CD LYS A 39 -4.690 3.911 -16.581 1.00 41.12 C ATOM 641 CE LYS A 39 -3.166 4.097 -16.489 1.00 24.14 C ATOM 642 NZ LYS A 39 -2.538 4.278 -17.826 1.00 64.02 N ATOM 0 H LYS A 39 -4.235 2.414 -12.966 1.00 60.24 H new ATOM 0 HA LYS A 39 -5.586 4.758 -12.001 1.00 53.44 H new ATOM 0 HB2 LYS A 39 -5.742 5.354 -14.343 1.00 32.33 H new ATOM 0 HB3 LYS A 39 -4.135 4.744 -14.006 1.00 32.33 H new ATOM 0 HG2 LYS A 39 -4.861 2.500 -14.952 1.00 14.51 H new ATOM 0 HG3 LYS A 39 -6.381 3.240 -15.414 1.00 14.51 H new ATOM 0 HD2 LYS A 39 -4.915 3.183 -17.360 1.00 41.12 H new ATOM 0 HD3 LYS A 39 -5.148 4.853 -16.883 1.00 41.12 H new ATOM 0 HE2 LYS A 39 -2.945 4.963 -15.866 1.00 24.14 H new ATOM 0 HE3 LYS A 39 -2.725 3.230 -15.997 1.00 24.14 H new ATOM 0 HZ1 LYS A 39 -1.529 4.500 -17.708 1.00 64.02 H new ATOM 0 HZ2 LYS A 39 -2.637 3.402 -18.378 1.00 64.02 H new ATOM 0 HZ3 LYS A 39 -3.008 5.058 -18.328 1.00 64.02 H new ATOM 656 N LYS A 40 -7.382 2.200 -13.071 1.00 13.24 N ATOM 657 CA LYS A 40 -8.735 1.624 -13.098 1.00 54.23 C ATOM 658 C LYS A 40 -9.245 1.455 -11.658 1.00 54.12 C ATOM 659 O LYS A 40 -10.441 1.558 -11.411 1.00 61.32 O ATOM 660 CB LYS A 40 -8.772 0.263 -13.885 1.00 44.33 C ATOM 661 CG LYS A 40 -8.779 -1.033 -13.024 1.00 33.21 C ATOM 662 CD LYS A 40 -8.780 -2.330 -13.862 1.00 52.22 C ATOM 663 CE LYS A 40 -9.098 -3.575 -13.008 1.00 1.22 C ATOM 664 NZ LYS A 40 -8.166 -3.735 -11.857 1.00 53.42 N ATOM 0 H LYS A 40 -6.645 1.536 -13.307 1.00 13.24 H new ATOM 0 HA LYS A 40 -9.396 2.308 -13.631 1.00 54.23 H new ATOM 0 HB2 LYS A 40 -9.660 0.258 -14.518 1.00 44.33 H new ATOM 0 HB3 LYS A 40 -7.908 0.228 -14.548 1.00 44.33 H new ATOM 0 HG2 LYS A 40 -7.905 -1.032 -12.373 1.00 33.21 H new ATOM 0 HG3 LYS A 40 -9.657 -1.026 -12.379 1.00 33.21 H new ATOM 0 HD2 LYS A 40 -9.515 -2.243 -14.662 1.00 52.22 H new ATOM 0 HD3 LYS A 40 -7.806 -2.455 -14.336 1.00 52.22 H new ATOM 0 HE2 LYS A 40 -10.120 -3.504 -12.636 1.00 1.22 H new ATOM 0 HE3 LYS A 40 -9.049 -4.464 -13.637 1.00 1.22 H new ATOM 0 HZ1 LYS A 40 -7.994 -4.747 -11.687 1.00 53.42 H new ATOM 0 HZ2 LYS A 40 -7.265 -3.262 -12.072 1.00 53.42 H new ATOM 0 HZ3 LYS A 40 -8.587 -3.308 -11.007 1.00 53.42 H new ATOM 678 N GLU A 41 -8.310 1.182 -10.716 1.00 55.24 N ATOM 679 CA GLU A 41 -8.633 1.065 -9.293 1.00 72.15 C ATOM 680 C GLU A 41 -8.939 2.434 -8.689 1.00 11.04 C ATOM 681 O GLU A 41 -9.748 2.531 -7.785 1.00 20.34 O ATOM 682 CB GLU A 41 -7.521 0.333 -8.494 1.00 64.34 C ATOM 683 CG GLU A 41 -7.476 -1.194 -8.728 1.00 54.23 C ATOM 684 CD GLU A 41 -8.850 -1.886 -8.559 1.00 5.52 C ATOM 685 OE1 GLU A 41 -9.499 -1.693 -7.503 1.00 63.34 O ATOM 686 OE2 GLU A 41 -9.290 -2.617 -9.484 1.00 75.34 O ATOM 0 H GLU A 41 -7.323 1.040 -10.929 1.00 55.24 H new ATOM 0 HA GLU A 41 -9.530 0.450 -9.217 1.00 72.15 H new ATOM 0 HB2 GLU A 41 -6.555 0.759 -8.763 1.00 64.34 H new ATOM 0 HB3 GLU A 41 -7.668 0.523 -7.431 1.00 64.34 H new ATOM 0 HG2 GLU A 41 -7.101 -1.389 -9.733 1.00 54.23 H new ATOM 0 HG3 GLU A 41 -6.766 -1.639 -8.031 1.00 54.23 H new ATOM 693 N MET A 42 -8.310 3.494 -9.210 1.00 15.44 N ATOM 694 CA MET A 42 -8.641 4.880 -8.819 1.00 34.05 C ATOM 695 C MET A 42 -10.070 5.241 -9.274 1.00 40.35 C ATOM 696 O MET A 42 -10.757 6.031 -8.618 1.00 41.13 O ATOM 697 CB MET A 42 -7.599 5.864 -9.396 1.00 62.31 C ATOM 698 CG MET A 42 -6.158 5.653 -8.895 1.00 2.42 C ATOM 699 SD MET A 42 -5.957 5.795 -7.092 1.00 15.12 S ATOM 700 CE MET A 42 -6.166 4.103 -6.508 1.00 33.32 C ATOM 0 H MET A 42 -7.567 3.424 -9.905 1.00 15.44 H new ATOM 0 HA MET A 42 -8.608 4.958 -7.732 1.00 34.05 H new ATOM 0 HB2 MET A 42 -7.606 5.781 -10.483 1.00 62.31 H new ATOM 0 HB3 MET A 42 -7.907 6.881 -9.152 1.00 62.31 H new ATOM 0 HG2 MET A 42 -5.819 4.666 -9.209 1.00 2.42 H new ATOM 0 HG3 MET A 42 -5.508 6.382 -9.379 1.00 2.42 H new ATOM 0 HE1 MET A 42 -5.664 3.985 -5.548 1.00 33.32 H new ATOM 0 HE2 MET A 42 -7.228 3.887 -6.392 1.00 33.32 H new ATOM 0 HE3 MET A 42 -5.732 3.412 -7.231 1.00 33.32 H new ATOM 710 N LYS A 43 -10.494 4.637 -10.401 1.00 41.33 N ATOM 711 CA LYS A 43 -11.867 4.756 -10.926 1.00 30.33 C ATOM 712 C LYS A 43 -12.837 3.904 -10.088 1.00 64.01 C ATOM 713 O LYS A 43 -13.978 4.303 -9.861 1.00 72.33 O ATOM 714 CB LYS A 43 -11.898 4.312 -12.411 1.00 24.11 C ATOM 715 CG LYS A 43 -11.027 5.180 -13.350 1.00 1.33 C ATOM 716 CD LYS A 43 -10.927 4.609 -14.785 1.00 3.40 C ATOM 717 CE LYS A 43 -12.287 4.504 -15.498 1.00 13.32 C ATOM 718 NZ LYS A 43 -12.145 3.997 -16.891 1.00 70.42 N ATOM 0 H LYS A 43 -9.890 4.050 -10.976 1.00 41.33 H new ATOM 0 HA LYS A 43 -12.184 5.797 -10.861 1.00 30.33 H new ATOM 0 HB2 LYS A 43 -11.563 3.277 -12.476 1.00 24.11 H new ATOM 0 HB3 LYS A 43 -12.929 4.336 -12.764 1.00 24.11 H new ATOM 0 HG2 LYS A 43 -11.443 6.187 -13.394 1.00 1.33 H new ATOM 0 HG3 LYS A 43 -10.025 5.267 -12.929 1.00 1.33 H new ATOM 0 HD2 LYS A 43 -10.264 5.242 -15.375 1.00 3.40 H new ATOM 0 HD3 LYS A 43 -10.470 3.620 -14.744 1.00 3.40 H new ATOM 0 HE2 LYS A 43 -12.942 3.839 -14.935 1.00 13.32 H new ATOM 0 HE3 LYS A 43 -12.765 5.484 -15.515 1.00 13.32 H new ATOM 0 HZ1 LYS A 43 -13.083 3.941 -17.337 1.00 70.42 H new ATOM 0 HZ2 LYS A 43 -11.541 4.644 -17.436 1.00 70.42 H new ATOM 0 HZ3 LYS A 43 -11.712 3.051 -16.874 1.00 70.42 H new ATOM 732 N LYS A 44 -12.349 2.727 -9.633 1.00 74.02 N ATOM 733 CA LYS A 44 -13.106 1.798 -8.772 1.00 11.54 C ATOM 734 C LYS A 44 -13.499 2.480 -7.466 1.00 64.21 C ATOM 735 O LYS A 44 -14.664 2.657 -7.208 1.00 2.43 O ATOM 736 CB LYS A 44 -12.261 0.526 -8.472 1.00 21.15 C ATOM 737 CG LYS A 44 -12.102 -0.455 -9.663 1.00 63.32 C ATOM 738 CD LYS A 44 -13.245 -1.476 -9.775 1.00 2.14 C ATOM 739 CE LYS A 44 -13.339 -2.388 -8.535 1.00 64.42 C ATOM 740 NZ LYS A 44 -12.041 -3.043 -8.210 1.00 15.40 N ATOM 0 H LYS A 44 -11.411 2.396 -9.857 1.00 74.02 H new ATOM 0 HA LYS A 44 -14.012 1.503 -9.301 1.00 11.54 H new ATOM 0 HB2 LYS A 44 -11.269 0.837 -8.143 1.00 21.15 H new ATOM 0 HB3 LYS A 44 -12.720 -0.008 -7.640 1.00 21.15 H new ATOM 0 HG2 LYS A 44 -12.045 0.117 -10.589 1.00 63.32 H new ATOM 0 HG3 LYS A 44 -11.158 -0.989 -9.559 1.00 63.32 H new ATOM 0 HD2 LYS A 44 -14.189 -0.948 -9.907 1.00 2.14 H new ATOM 0 HD3 LYS A 44 -13.096 -2.089 -10.664 1.00 2.14 H new ATOM 0 HE2 LYS A 44 -13.670 -1.800 -7.679 1.00 64.42 H new ATOM 0 HE3 LYS A 44 -14.096 -3.153 -8.707 1.00 64.42 H new ATOM 0 HZ1 LYS A 44 -12.186 -3.746 -7.457 1.00 15.40 H new ATOM 0 HZ2 LYS A 44 -11.669 -3.516 -9.058 1.00 15.40 H new ATOM 0 HZ3 LYS A 44 -11.361 -2.325 -7.887 1.00 15.40 H new ATOM 754 N LEU A 45 -12.492 2.915 -6.698 1.00 51.42 N ATOM 755 CA LEU A 45 -12.682 3.489 -5.348 1.00 4.15 C ATOM 756 C LEU A 45 -13.546 4.763 -5.393 1.00 25.21 C ATOM 757 O LEU A 45 -14.239 5.094 -4.421 1.00 2.15 O ATOM 758 CB LEU A 45 -11.302 3.792 -4.698 1.00 53.01 C ATOM 759 CG LEU A 45 -10.253 2.638 -4.756 1.00 23.10 C ATOM 760 CD1 LEU A 45 -8.951 3.029 -4.054 1.00 43.13 C ATOM 761 CD2 LEU A 45 -10.816 1.303 -4.230 1.00 41.22 C ATOM 0 H LEU A 45 -11.516 2.881 -6.992 1.00 51.42 H new ATOM 0 HA LEU A 45 -13.209 2.754 -4.740 1.00 4.15 H new ATOM 0 HB2 LEU A 45 -10.877 4.669 -5.187 1.00 53.01 H new ATOM 0 HB3 LEU A 45 -11.465 4.057 -3.653 1.00 53.01 H new ATOM 0 HG LEU A 45 -10.019 2.476 -5.808 1.00 23.10 H new ATOM 0 HD11 LEU A 45 -8.243 2.202 -4.113 1.00 43.13 H new ATOM 0 HD12 LEU A 45 -8.525 3.907 -4.540 1.00 43.13 H new ATOM 0 HD13 LEU A 45 -9.156 3.257 -3.008 1.00 43.13 H new ATOM 0 HD21 LEU A 45 -10.046 0.534 -4.292 1.00 41.22 H new ATOM 0 HD22 LEU A 45 -11.126 1.423 -3.192 1.00 41.22 H new ATOM 0 HD23 LEU A 45 -11.674 1.007 -4.833 1.00 41.22 H new ATOM 773 N ALA A 46 -13.486 5.459 -6.545 1.00 53.04 N ATOM 774 CA ALA A 46 -14.265 6.671 -6.811 1.00 51.14 C ATOM 775 C ALA A 46 -15.756 6.345 -7.032 1.00 33.01 C ATOM 776 O ALA A 46 -16.629 6.976 -6.431 1.00 14.42 O ATOM 777 CB ALA A 46 -13.683 7.404 -8.032 1.00 41.51 C ATOM 0 H ALA A 46 -12.886 5.187 -7.323 1.00 53.04 H new ATOM 0 HA ALA A 46 -14.199 7.321 -5.938 1.00 51.14 H new ATOM 0 HB1 ALA A 46 -14.265 8.305 -8.227 1.00 41.51 H new ATOM 0 HB2 ALA A 46 -12.647 7.677 -7.832 1.00 41.51 H new ATOM 0 HB3 ALA A 46 -13.724 6.750 -8.903 1.00 41.51 H new ATOM 783 N GLU A 47 -16.032 5.344 -7.894 1.00 14.21 N ATOM 784 CA GLU A 47 -17.409 4.985 -8.307 1.00 21.00 C ATOM 785 C GLU A 47 -18.121 4.108 -7.251 1.00 74.24 C ATOM 786 O GLU A 47 -19.335 4.225 -7.062 1.00 53.22 O ATOM 787 CB GLU A 47 -17.378 4.298 -9.698 1.00 21.41 C ATOM 788 CG GLU A 47 -16.947 5.243 -10.848 1.00 23.34 C ATOM 789 CD GLU A 47 -16.935 4.556 -12.219 1.00 50.42 C ATOM 790 OE1 GLU A 47 -18.017 4.420 -12.836 1.00 54.54 O ATOM 791 OE2 GLU A 47 -15.850 4.154 -12.693 1.00 44.44 O ATOM 0 H GLU A 47 -15.312 4.763 -8.323 1.00 14.21 H new ATOM 0 HA GLU A 47 -17.993 5.902 -8.385 1.00 21.00 H new ATOM 0 HB2 GLU A 47 -16.694 3.450 -9.660 1.00 21.41 H new ATOM 0 HB3 GLU A 47 -18.368 3.899 -9.919 1.00 21.41 H new ATOM 0 HG2 GLU A 47 -17.624 6.096 -10.882 1.00 23.34 H new ATOM 0 HG3 GLU A 47 -15.952 5.634 -10.635 1.00 23.34 H new ATOM 798 N GLU A 48 -17.354 3.231 -6.589 1.00 44.13 N ATOM 799 CA GLU A 48 -17.814 2.442 -5.431 1.00 24.43 C ATOM 800 C GLU A 48 -17.926 3.400 -4.222 1.00 1.25 C ATOM 801 O GLU A 48 -16.923 3.711 -3.563 1.00 62.52 O ATOM 802 CB GLU A 48 -16.830 1.277 -5.127 1.00 50.30 C ATOM 803 CG GLU A 48 -16.551 0.301 -6.291 1.00 14.14 C ATOM 804 CD GLU A 48 -15.495 -0.765 -5.931 1.00 31.51 C ATOM 805 OE1 GLU A 48 -14.305 -0.409 -5.767 1.00 3.13 O ATOM 806 OE2 GLU A 48 -15.840 -1.958 -5.798 1.00 42.12 O ATOM 0 H GLU A 48 -16.384 3.045 -6.844 1.00 44.13 H new ATOM 0 HA GLU A 48 -18.783 1.992 -5.644 1.00 24.43 H new ATOM 0 HB2 GLU A 48 -15.881 1.705 -4.804 1.00 50.30 H new ATOM 0 HB3 GLU A 48 -17.225 0.705 -4.287 1.00 50.30 H new ATOM 0 HG2 GLU A 48 -17.479 -0.194 -6.576 1.00 14.14 H new ATOM 0 HG3 GLU A 48 -16.211 0.865 -7.160 1.00 14.14 H new ATOM 813 N LYS A 49 -19.148 3.897 -3.974 1.00 3.35 N ATOM 814 CA LYS A 49 -19.381 5.038 -3.068 1.00 25.30 C ATOM 815 C LYS A 49 -19.257 4.635 -1.582 1.00 24.21 C ATOM 816 O LYS A 49 -18.348 5.093 -0.879 1.00 42.33 O ATOM 817 CB LYS A 49 -20.773 5.662 -3.355 1.00 44.53 C ATOM 818 CG LYS A 49 -20.976 6.135 -4.817 1.00 32.32 C ATOM 819 CD LYS A 49 -22.329 6.863 -5.020 1.00 32.43 C ATOM 820 CE LYS A 49 -22.427 8.167 -4.201 1.00 52.33 C ATOM 821 NZ LYS A 49 -23.737 8.852 -4.376 1.00 20.30 N ATOM 0 H LYS A 49 -20.000 3.523 -4.392 1.00 3.35 H new ATOM 0 HA LYS A 49 -18.607 5.781 -3.260 1.00 25.30 H new ATOM 0 HB2 LYS A 49 -21.543 4.929 -3.113 1.00 44.53 H new ATOM 0 HB3 LYS A 49 -20.921 6.511 -2.688 1.00 44.53 H new ATOM 0 HG2 LYS A 49 -20.161 6.803 -5.096 1.00 32.32 H new ATOM 0 HG3 LYS A 49 -20.926 5.275 -5.485 1.00 32.32 H new ATOM 0 HD2 LYS A 49 -22.460 7.091 -6.078 1.00 32.43 H new ATOM 0 HD3 LYS A 49 -23.143 6.197 -4.735 1.00 32.43 H new ATOM 0 HE2 LYS A 49 -22.277 7.942 -3.145 1.00 52.33 H new ATOM 0 HE3 LYS A 49 -21.625 8.842 -4.500 1.00 52.33 H new ATOM 0 HZ1 LYS A 49 -23.753 9.722 -3.806 1.00 20.30 H new ATOM 0 HZ2 LYS A 49 -23.872 9.093 -5.379 1.00 20.30 H new ATOM 0 HZ3 LYS A 49 -24.503 8.221 -4.066 1.00 20.30 H new ATOM 835 N ASN A 50 -20.163 3.762 -1.116 1.00 53.41 N ATOM 836 CA ASN A 50 -20.257 3.376 0.307 1.00 3.30 C ATOM 837 C ASN A 50 -19.708 1.955 0.537 1.00 11.10 C ATOM 838 O ASN A 50 -20.408 0.961 0.319 1.00 45.24 O ATOM 839 CB ASN A 50 -21.727 3.494 0.807 1.00 1.13 C ATOM 840 CG ASN A 50 -21.887 3.126 2.293 1.00 54.00 C ATOM 841 OD1 ASN A 50 -21.724 3.964 3.175 1.00 12.42 O ATOM 842 ND2 ASN A 50 -22.191 1.869 2.583 1.00 5.31 N ATOM 0 H ASN A 50 -20.852 3.302 -1.711 1.00 53.41 H new ATOM 0 HA ASN A 50 -19.641 4.064 0.886 1.00 3.30 H new ATOM 0 HB2 ASN A 50 -22.077 4.514 0.651 1.00 1.13 H new ATOM 0 HB3 ASN A 50 -22.363 2.843 0.207 1.00 1.13 H new ATOM 0 HD21 ASN A 50 -22.294 1.581 3.556 1.00 5.31 H new ATOM 0 HD22 ASN A 50 -22.322 1.190 1.833 1.00 5.31 H new ATOM 849 N PHE A 51 -18.430 1.890 0.920 1.00 44.04 N ATOM 850 CA PHE A 51 -17.798 0.683 1.481 1.00 43.31 C ATOM 851 C PHE A 51 -16.537 1.091 2.254 1.00 74.54 C ATOM 852 O PHE A 51 -16.014 2.207 2.069 1.00 74.14 O ATOM 853 CB PHE A 51 -17.502 -0.414 0.403 1.00 45.23 C ATOM 854 CG PHE A 51 -16.368 -0.152 -0.599 1.00 23.43 C ATOM 855 CD1 PHE A 51 -16.212 1.077 -1.226 1.00 11.04 C ATOM 856 CD2 PHE A 51 -15.470 -1.170 -0.925 1.00 24.51 C ATOM 857 CE1 PHE A 51 -15.199 1.276 -2.142 1.00 61.14 C ATOM 858 CE2 PHE A 51 -14.462 -0.963 -1.843 1.00 10.35 C ATOM 859 CZ PHE A 51 -14.325 0.261 -2.447 1.00 31.52 C ATOM 0 H PHE A 51 -17.793 2.683 0.850 1.00 44.04 H new ATOM 0 HA PHE A 51 -18.504 0.216 2.167 1.00 43.31 H new ATOM 0 HB2 PHE A 51 -17.278 -1.344 0.926 1.00 45.23 H new ATOM 0 HB3 PHE A 51 -18.418 -0.580 -0.165 1.00 45.23 H new ATOM 0 HD1 PHE A 51 -16.890 1.885 -0.995 1.00 11.04 H new ATOM 0 HD2 PHE A 51 -15.566 -2.135 -0.450 1.00 24.51 H new ATOM 0 HE1 PHE A 51 -15.093 2.237 -2.623 1.00 61.14 H new ATOM 0 HE2 PHE A 51 -13.780 -1.765 -2.086 1.00 10.35 H new ATOM 0 HZ PHE A 51 -13.532 0.426 -3.161 1.00 31.52 H new ATOM 869 N GLU A 52 -16.072 0.191 3.125 1.00 32.55 N ATOM 870 CA GLU A 52 -14.947 0.447 4.034 1.00 20.35 C ATOM 871 C GLU A 52 -13.622 0.635 3.251 1.00 2.04 C ATOM 872 O GLU A 52 -13.515 0.239 2.078 1.00 43.25 O ATOM 873 CB GLU A 52 -14.842 -0.712 5.065 1.00 64.21 C ATOM 874 CG GLU A 52 -13.735 -0.555 6.132 1.00 1.03 C ATOM 875 CD GLU A 52 -13.755 -1.645 7.205 1.00 14.30 C ATOM 876 OE1 GLU A 52 -13.472 -2.813 6.881 1.00 61.14 O ATOM 877 OE2 GLU A 52 -14.063 -1.338 8.378 1.00 22.12 O ATOM 0 H GLU A 52 -16.468 -0.744 3.221 1.00 32.55 H new ATOM 0 HA GLU A 52 -15.129 1.378 4.571 1.00 20.35 H new ATOM 0 HB2 GLU A 52 -15.801 -0.811 5.573 1.00 64.21 H new ATOM 0 HB3 GLU A 52 -14.671 -1.642 4.523 1.00 64.21 H new ATOM 0 HG2 GLU A 52 -12.763 -0.562 5.638 1.00 1.03 H new ATOM 0 HG3 GLU A 52 -13.842 0.417 6.613 1.00 1.03 H new ATOM 884 N LYS A 53 -12.651 1.264 3.937 1.00 1.10 N ATOM 885 CA LYS A 53 -11.296 1.550 3.439 1.00 3.44 C ATOM 886 C LYS A 53 -10.623 0.315 2.801 1.00 34.54 C ATOM 887 O LYS A 53 -10.870 -0.839 3.198 1.00 25.24 O ATOM 888 CB LYS A 53 -10.454 2.087 4.612 1.00 35.33 C ATOM 889 CG LYS A 53 -10.174 1.060 5.735 1.00 52.55 C ATOM 890 CD LYS A 53 -9.714 1.715 7.052 1.00 33.22 C ATOM 891 CE LYS A 53 -10.796 2.622 7.655 1.00 25.21 C ATOM 892 NZ LYS A 53 -10.359 3.245 8.931 1.00 52.53 N ATOM 0 H LYS A 53 -12.795 1.599 4.889 1.00 1.10 H new ATOM 0 HA LYS A 53 -11.367 2.295 2.646 1.00 3.44 H new ATOM 0 HB2 LYS A 53 -9.502 2.446 4.222 1.00 35.33 H new ATOM 0 HB3 LYS A 53 -10.966 2.946 5.045 1.00 35.33 H new ATOM 0 HG2 LYS A 53 -11.077 0.479 5.921 1.00 52.55 H new ATOM 0 HG3 LYS A 53 -9.409 0.361 5.397 1.00 52.55 H new ATOM 0 HD2 LYS A 53 -9.451 0.938 7.770 1.00 33.22 H new ATOM 0 HD3 LYS A 53 -8.812 2.299 6.870 1.00 33.22 H new ATOM 0 HE2 LYS A 53 -11.052 3.404 6.940 1.00 25.21 H new ATOM 0 HE3 LYS A 53 -11.701 2.039 7.828 1.00 25.21 H new ATOM 0 HZ1 LYS A 53 -10.893 2.830 9.721 1.00 52.53 H new ATOM 0 HZ2 LYS A 53 -9.343 3.072 9.072 1.00 52.53 H new ATOM 0 HZ3 LYS A 53 -10.534 4.269 8.895 1.00 52.53 H new ATOM 906 N ILE A 54 -9.770 0.584 1.811 1.00 2.43 N ATOM 907 CA ILE A 54 -9.271 -0.432 0.884 1.00 54.20 C ATOM 908 C ILE A 54 -7.759 -0.620 1.069 1.00 35.34 C ATOM 909 O ILE A 54 -7.021 0.340 1.326 1.00 50.32 O ATOM 910 CB ILE A 54 -9.601 -0.057 -0.613 1.00 13.40 C ATOM 911 CG1 ILE A 54 -11.134 0.224 -0.808 1.00 30.15 C ATOM 912 CG2 ILE A 54 -9.127 -1.156 -1.589 1.00 73.23 C ATOM 913 CD1 ILE A 54 -11.584 1.637 -0.456 1.00 71.31 C ATOM 0 H ILE A 54 -9.404 1.519 1.629 1.00 2.43 H new ATOM 0 HA ILE A 54 -9.776 -1.371 1.110 1.00 54.20 H new ATOM 0 HB ILE A 54 -9.055 0.858 -0.842 1.00 13.40 H new ATOM 0 HG12 ILE A 54 -11.394 0.025 -1.848 1.00 30.15 H new ATOM 0 HG13 ILE A 54 -11.697 -0.482 -0.198 1.00 30.15 H new ATOM 0 HG21 ILE A 54 -9.370 -0.865 -2.611 1.00 73.23 H new ATOM 0 HG22 ILE A 54 -8.049 -1.285 -1.496 1.00 73.23 H new ATOM 0 HG23 ILE A 54 -9.627 -2.095 -1.350 1.00 73.23 H new ATOM 0 HD11 ILE A 54 -12.657 1.730 -0.624 1.00 71.31 H new ATOM 0 HD12 ILE A 54 -11.362 1.839 0.592 1.00 71.31 H new ATOM 0 HD13 ILE A 54 -11.055 2.354 -1.083 1.00 71.31 H new ATOM 925 N LEU A 55 -7.331 -1.876 0.952 1.00 75.33 N ATOM 926 CA LEU A 55 -5.931 -2.268 0.996 1.00 15.50 C ATOM 927 C LEU A 55 -5.472 -2.641 -0.427 1.00 51.54 C ATOM 928 O LEU A 55 -5.940 -3.634 -1.005 1.00 43.20 O ATOM 929 CB LEU A 55 -5.757 -3.444 1.996 1.00 42.44 C ATOM 930 CG LEU A 55 -4.284 -3.968 2.197 1.00 34.31 C ATOM 931 CD1 LEU A 55 -3.936 -4.150 3.690 1.00 14.32 C ATOM 932 CD2 LEU A 55 -4.023 -5.270 1.400 1.00 51.32 C ATOM 0 H LEU A 55 -7.965 -2.664 0.821 1.00 75.33 H new ATOM 0 HA LEU A 55 -5.308 -1.445 1.346 1.00 15.50 H new ATOM 0 HB2 LEU A 55 -6.146 -3.131 2.965 1.00 42.44 H new ATOM 0 HB3 LEU A 55 -6.375 -4.276 1.658 1.00 42.44 H new ATOM 0 HG LEU A 55 -3.621 -3.200 1.798 1.00 34.31 H new ATOM 0 HD11 LEU A 55 -2.912 -4.512 3.783 1.00 14.32 H new ATOM 0 HD12 LEU A 55 -4.031 -3.194 4.205 1.00 14.32 H new ATOM 0 HD13 LEU A 55 -4.619 -4.872 4.137 1.00 14.32 H new ATOM 0 HD21 LEU A 55 -2.997 -5.598 1.565 1.00 51.32 H new ATOM 0 HD22 LEU A 55 -4.711 -6.046 1.736 1.00 51.32 H new ATOM 0 HD23 LEU A 55 -4.177 -5.083 0.337 1.00 51.32 H new ATOM 944 N ILE A 56 -4.611 -1.799 -1.001 1.00 52.45 N ATOM 945 CA ILE A 56 -4.026 -2.013 -2.333 1.00 13.31 C ATOM 946 C ILE A 56 -2.611 -2.595 -2.168 1.00 13.44 C ATOM 947 O ILE A 56 -1.816 -2.045 -1.417 1.00 14.22 O ATOM 948 CB ILE A 56 -3.959 -0.660 -3.147 1.00 43.11 C ATOM 949 CG1 ILE A 56 -5.370 0.011 -3.278 1.00 12.03 C ATOM 950 CG2 ILE A 56 -3.327 -0.868 -4.546 1.00 3.40 C ATOM 951 CD1 ILE A 56 -6.390 -0.759 -4.107 1.00 72.32 C ATOM 0 H ILE A 56 -4.295 -0.939 -0.552 1.00 52.45 H new ATOM 0 HA ILE A 56 -4.655 -2.708 -2.889 1.00 13.31 H new ATOM 0 HB ILE A 56 -3.317 0.015 -2.581 1.00 43.11 H new ATOM 0 HG12 ILE A 56 -5.777 0.157 -2.278 1.00 12.03 H new ATOM 0 HG13 ILE A 56 -5.243 1.000 -3.718 1.00 12.03 H new ATOM 0 HG21 ILE A 56 -3.297 0.083 -5.077 1.00 3.40 H new ATOM 0 HG22 ILE A 56 -2.313 -1.253 -4.434 1.00 3.40 H new ATOM 0 HG23 ILE A 56 -3.925 -1.581 -5.113 1.00 3.40 H new ATOM 0 HD11 ILE A 56 -7.329 -0.207 -4.133 1.00 72.32 H new ATOM 0 HD12 ILE A 56 -6.014 -0.883 -5.123 1.00 72.32 H new ATOM 0 HD13 ILE A 56 -6.557 -1.739 -3.660 1.00 72.32 H new ATOM 963 N ILE A 57 -2.311 -3.723 -2.837 1.00 12.35 N ATOM 964 CA ILE A 57 -0.948 -4.301 -2.868 1.00 22.32 C ATOM 965 C ILE A 57 -0.312 -3.989 -4.236 1.00 5.44 C ATOM 966 O ILE A 57 -0.724 -4.537 -5.245 1.00 21.42 O ATOM 967 CB ILE A 57 -0.957 -5.864 -2.624 1.00 55.53 C ATOM 968 CG1 ILE A 57 -1.658 -6.211 -1.273 1.00 33.22 C ATOM 969 CG2 ILE A 57 0.481 -6.451 -2.668 1.00 34.24 C ATOM 970 CD1 ILE A 57 -1.757 -7.700 -0.961 1.00 5.23 C ATOM 0 H ILE A 57 -2.998 -4.258 -3.368 1.00 12.35 H new ATOM 0 HA ILE A 57 -0.367 -3.854 -2.061 1.00 22.32 H new ATOM 0 HB ILE A 57 -1.527 -6.323 -3.432 1.00 55.53 H new ATOM 0 HG12 ILE A 57 -1.116 -5.721 -0.464 1.00 33.22 H new ATOM 0 HG13 ILE A 57 -2.663 -5.790 -1.284 1.00 33.22 H new ATOM 0 HG21 ILE A 57 0.440 -7.527 -2.497 1.00 34.24 H new ATOM 0 HG22 ILE A 57 0.924 -6.255 -3.645 1.00 34.24 H new ATOM 0 HG23 ILE A 57 1.089 -5.983 -1.894 1.00 34.24 H new ATOM 0 HD11 ILE A 57 -2.259 -7.838 -0.003 1.00 5.23 H new ATOM 0 HD12 ILE A 57 -2.327 -8.199 -1.745 1.00 5.23 H new ATOM 0 HD13 ILE A 57 -0.756 -8.129 -0.912 1.00 5.23 H new ATOM 982 N SER A 58 0.698 -3.120 -4.257 1.00 33.21 N ATOM 983 CA SER A 58 1.359 -2.679 -5.495 1.00 13.24 C ATOM 984 C SER A 58 2.804 -3.196 -5.491 1.00 24.23 C ATOM 985 O SER A 58 3.664 -2.681 -4.763 1.00 2.11 O ATOM 986 CB SER A 58 1.307 -1.148 -5.589 1.00 44.34 C ATOM 987 OG SER A 58 1.960 -0.666 -6.753 1.00 14.11 O ATOM 0 H SER A 58 1.086 -2.697 -3.414 1.00 33.21 H new ATOM 0 HA SER A 58 0.847 -3.082 -6.369 1.00 13.24 H new ATOM 0 HB2 SER A 58 0.268 -0.820 -5.594 1.00 44.34 H new ATOM 0 HB3 SER A 58 1.774 -0.714 -4.705 1.00 44.34 H new ATOM 0 HG SER A 58 2.929 -0.669 -6.609 1.00 14.11 H new ATOM 993 N ASN A 59 3.056 -4.217 -6.326 1.00 44.42 N ATOM 994 CA ASN A 59 4.328 -4.985 -6.338 1.00 62.02 C ATOM 995 C ASN A 59 5.430 -4.296 -7.180 1.00 33.23 C ATOM 996 O ASN A 59 6.458 -4.907 -7.495 1.00 33.21 O ATOM 997 CB ASN A 59 4.061 -6.420 -6.866 1.00 14.21 C ATOM 998 CG ASN A 59 3.031 -7.203 -6.040 1.00 55.21 C ATOM 999 OD1 ASN A 59 2.921 -7.037 -4.824 1.00 43.43 O ATOM 1000 ND2 ASN A 59 2.271 -8.061 -6.700 1.00 51.15 N ATOM 0 H ASN A 59 2.382 -4.541 -7.020 1.00 44.42 H new ATOM 0 HA ASN A 59 4.698 -5.029 -5.314 1.00 62.02 H new ATOM 0 HB2 ASN A 59 3.715 -6.359 -7.898 1.00 14.21 H new ATOM 0 HB3 ASN A 59 5.000 -6.973 -6.877 1.00 14.21 H new ATOM 0 HD21 ASN A 59 1.569 -8.608 -6.202 1.00 51.15 H new ATOM 0 HD22 ASN A 59 2.387 -8.175 -7.707 1.00 51.15 H new ATOM 1007 N ASP A 60 5.211 -3.024 -7.531 1.00 61.50 N ATOM 1008 CA ASP A 60 6.220 -2.176 -8.189 1.00 54.34 C ATOM 1009 C ASP A 60 6.148 -0.757 -7.611 1.00 55.33 C ATOM 1010 O ASP A 60 5.065 -0.260 -7.266 1.00 72.10 O ATOM 1011 CB ASP A 60 6.029 -2.170 -9.728 1.00 3.30 C ATOM 1012 CG ASP A 60 6.928 -1.151 -10.465 1.00 21.23 C ATOM 1013 OD1 ASP A 60 8.162 -1.309 -10.457 1.00 42.04 O ATOM 1014 OD2 ASP A 60 6.402 -0.164 -10.996 1.00 13.53 O ATOM 0 H ASP A 60 4.324 -2.548 -7.367 1.00 61.50 H new ATOM 0 HA ASP A 60 7.211 -2.586 -7.993 1.00 54.34 H new ATOM 0 HB2 ASP A 60 6.235 -3.168 -10.114 1.00 3.30 H new ATOM 0 HB3 ASP A 60 4.986 -1.950 -9.954 1.00 3.30 H new ATOM 1019 N LYS A 61 7.324 -0.121 -7.506 1.00 43.11 N ATOM 1020 CA LYS A 61 7.489 1.184 -6.848 1.00 53.30 C ATOM 1021 C LYS A 61 7.170 2.366 -7.784 1.00 54.24 C ATOM 1022 O LYS A 61 6.813 3.456 -7.309 1.00 12.43 O ATOM 1023 CB LYS A 61 8.916 1.288 -6.255 1.00 63.11 C ATOM 1024 CG LYS A 61 9.190 0.251 -5.147 1.00 64.33 C ATOM 1025 CD LYS A 61 10.586 0.390 -4.510 1.00 74.54 C ATOM 1026 CE LYS A 61 10.819 -0.621 -3.370 1.00 50.32 C ATOM 1027 NZ LYS A 61 10.743 -2.037 -3.828 1.00 62.41 N ATOM 0 H LYS A 61 8.194 -0.501 -7.878 1.00 43.11 H new ATOM 0 HA LYS A 61 6.763 1.248 -6.038 1.00 53.30 H new ATOM 0 HB2 LYS A 61 9.645 1.157 -7.055 1.00 63.11 H new ATOM 0 HB3 LYS A 61 9.062 2.290 -5.851 1.00 63.11 H new ATOM 0 HG2 LYS A 61 8.433 0.352 -4.370 1.00 64.33 H new ATOM 0 HG3 LYS A 61 9.087 -0.751 -5.564 1.00 64.33 H new ATOM 0 HD2 LYS A 61 11.347 0.249 -5.277 1.00 74.54 H new ATOM 0 HD3 LYS A 61 10.706 1.402 -4.124 1.00 74.54 H new ATOM 0 HE2 LYS A 61 11.797 -0.440 -2.925 1.00 50.32 H new ATOM 0 HE3 LYS A 61 10.078 -0.457 -2.588 1.00 50.32 H new ATOM 0 HZ1 LYS A 61 11.472 -2.598 -3.343 1.00 62.41 H new ATOM 0 HZ2 LYS A 61 9.804 -2.424 -3.606 1.00 62.41 H new ATOM 0 HZ3 LYS A 61 10.900 -2.079 -4.855 1.00 62.41 H new ATOM 1041 N GLN A 62 7.279 2.152 -9.109 1.00 33.13 N ATOM 1042 CA GLN A 62 6.886 3.172 -10.108 1.00 51.22 C ATOM 1043 C GLN A 62 5.343 3.294 -10.124 1.00 52.54 C ATOM 1044 O GLN A 62 4.795 4.381 -10.341 1.00 10.01 O ATOM 1045 CB GLN A 62 7.427 2.821 -11.529 1.00 61.33 C ATOM 1046 CG GLN A 62 8.942 2.513 -11.604 1.00 73.51 C ATOM 1047 CD GLN A 62 9.868 3.713 -11.342 1.00 50.32 C ATOM 1048 OE1 GLN A 62 9.536 4.651 -10.618 1.00 32.42 O ATOM 1049 NE2 GLN A 62 11.065 3.670 -11.905 1.00 62.42 N ATOM 0 H GLN A 62 7.634 1.286 -9.514 1.00 33.13 H new ATOM 0 HA GLN A 62 7.327 4.128 -9.826 1.00 51.22 H new ATOM 0 HB2 GLN A 62 6.879 1.957 -11.905 1.00 61.33 H new ATOM 0 HB3 GLN A 62 7.209 3.653 -12.198 1.00 61.33 H new ATOM 0 HG2 GLN A 62 9.174 1.731 -10.881 1.00 73.51 H new ATOM 0 HG3 GLN A 62 9.166 2.110 -12.592 1.00 73.51 H new ATOM 0 HE21 GLN A 62 11.320 2.883 -12.502 1.00 62.42 H new ATOM 0 HE22 GLN A 62 11.733 4.424 -11.742 1.00 62.42 H new ATOM 1058 N LEU A 63 4.662 2.154 -9.851 1.00 21.02 N ATOM 1059 CA LEU A 63 3.196 2.098 -9.717 1.00 11.04 C ATOM 1060 C LEU A 63 2.730 2.883 -8.478 1.00 51.52 C ATOM 1061 O LEU A 63 1.722 3.604 -8.539 1.00 2.51 O ATOM 1062 CB LEU A 63 2.690 0.630 -9.625 1.00 62.31 C ATOM 1063 CG LEU A 63 3.062 -0.313 -10.806 1.00 3.01 C ATOM 1064 CD1 LEU A 63 2.396 -1.694 -10.653 1.00 12.43 C ATOM 1065 CD2 LEU A 63 2.749 0.323 -12.169 1.00 22.43 C ATOM 0 H LEU A 63 5.119 1.252 -9.719 1.00 21.02 H new ATOM 0 HA LEU A 63 2.772 2.555 -10.611 1.00 11.04 H new ATOM 0 HB2 LEU A 63 3.079 0.193 -8.705 1.00 62.31 H new ATOM 0 HB3 LEU A 63 1.604 0.650 -9.534 1.00 62.31 H new ATOM 0 HG LEU A 63 4.141 -0.465 -10.770 1.00 3.01 H new ATOM 0 HD11 LEU A 63 2.676 -2.328 -11.494 1.00 12.43 H new ATOM 0 HD12 LEU A 63 2.727 -2.157 -9.723 1.00 12.43 H new ATOM 0 HD13 LEU A 63 1.313 -1.575 -10.633 1.00 12.43 H new ATOM 0 HD21 LEU A 63 3.024 -0.369 -12.965 1.00 22.43 H new ATOM 0 HD22 LEU A 63 1.683 0.543 -12.232 1.00 22.43 H new ATOM 0 HD23 LEU A 63 3.317 1.247 -12.279 1.00 22.43 H new ATOM 1077 N LEU A 64 3.504 2.733 -7.367 1.00 62.45 N ATOM 1078 CA LEU A 64 3.227 3.408 -6.087 1.00 0.53 C ATOM 1079 C LEU A 64 3.090 4.914 -6.293 1.00 2.03 C ATOM 1080 O LEU A 64 2.035 5.454 -6.031 1.00 51.50 O ATOM 1081 CB LEU A 64 4.341 3.159 -5.037 1.00 13.13 C ATOM 1082 CG LEU A 64 4.495 1.725 -4.469 1.00 43.45 C ATOM 1083 CD1 LEU A 64 5.705 1.672 -3.518 1.00 72.00 C ATOM 1084 CD2 LEU A 64 3.205 1.254 -3.762 1.00 52.35 C ATOM 0 H LEU A 64 4.334 2.140 -7.344 1.00 62.45 H new ATOM 0 HA LEU A 64 2.293 2.987 -5.713 1.00 0.53 H new ATOM 0 HB2 LEU A 64 5.293 3.445 -5.485 1.00 13.13 H new ATOM 0 HB3 LEU A 64 4.167 3.834 -4.199 1.00 13.13 H new ATOM 0 HG LEU A 64 4.669 1.040 -5.298 1.00 43.45 H new ATOM 0 HD11 LEU A 64 5.811 0.663 -3.120 1.00 72.00 H new ATOM 0 HD12 LEU A 64 6.609 1.944 -4.064 1.00 72.00 H new ATOM 0 HD13 LEU A 64 5.553 2.372 -2.696 1.00 72.00 H new ATOM 0 HD21 LEU A 64 3.349 0.245 -3.376 1.00 52.35 H new ATOM 0 HD22 LEU A 64 2.975 1.928 -2.937 1.00 52.35 H new ATOM 0 HD23 LEU A 64 2.379 1.256 -4.473 1.00 52.35 H new ATOM 1096 N LYS A 65 4.159 5.549 -6.832 1.00 33.35 N ATOM 1097 CA LYS A 65 4.280 7.019 -6.904 1.00 72.43 C ATOM 1098 C LYS A 65 3.083 7.668 -7.619 1.00 15.51 C ATOM 1099 O LYS A 65 2.491 8.621 -7.095 1.00 10.54 O ATOM 1100 CB LYS A 65 5.611 7.422 -7.595 1.00 4.31 C ATOM 1101 CG LYS A 65 5.867 8.957 -7.668 1.00 55.24 C ATOM 1102 CD LYS A 65 5.893 9.645 -6.277 1.00 33.21 C ATOM 1103 CE LYS A 65 7.005 9.109 -5.368 1.00 11.44 C ATOM 1104 NZ LYS A 65 8.347 9.294 -5.972 1.00 21.40 N ATOM 0 H LYS A 65 4.958 5.054 -7.227 1.00 33.35 H new ATOM 0 HA LYS A 65 4.284 7.392 -5.880 1.00 72.43 H new ATOM 0 HB2 LYS A 65 6.438 6.954 -7.061 1.00 4.31 H new ATOM 0 HB3 LYS A 65 5.616 7.018 -8.607 1.00 4.31 H new ATOM 0 HG2 LYS A 65 6.817 9.136 -8.171 1.00 55.24 H new ATOM 0 HG3 LYS A 65 5.091 9.419 -8.279 1.00 55.24 H new ATOM 0 HD2 LYS A 65 6.026 10.719 -6.411 1.00 33.21 H new ATOM 0 HD3 LYS A 65 4.930 9.501 -5.788 1.00 33.21 H new ATOM 0 HE2 LYS A 65 6.966 9.620 -4.406 1.00 11.44 H new ATOM 0 HE3 LYS A 65 6.837 8.050 -5.174 1.00 11.44 H new ATOM 0 HZ1 LYS A 65 9.078 9.046 -5.276 1.00 21.40 H new ATOM 0 HZ2 LYS A 65 8.440 8.680 -6.806 1.00 21.40 H new ATOM 0 HZ3 LYS A 65 8.465 10.287 -6.259 1.00 21.40 H new ATOM 1118 N GLU A 66 2.736 7.124 -8.798 1.00 62.32 N ATOM 1119 CA GLU A 66 1.574 7.582 -9.577 1.00 74.11 C ATOM 1120 C GLU A 66 0.276 7.459 -8.753 1.00 60.52 C ATOM 1121 O GLU A 66 -0.501 8.412 -8.643 1.00 34.24 O ATOM 1122 CB GLU A 66 1.446 6.758 -10.879 1.00 64.23 C ATOM 1123 CG GLU A 66 2.711 6.724 -11.762 1.00 11.22 C ATOM 1124 CD GLU A 66 3.244 8.118 -12.136 1.00 44.44 C ATOM 1125 OE1 GLU A 66 2.693 8.740 -13.068 1.00 3.31 O ATOM 1126 OE2 GLU A 66 4.210 8.601 -11.500 1.00 51.30 O ATOM 0 H GLU A 66 3.250 6.359 -9.235 1.00 62.32 H new ATOM 0 HA GLU A 66 1.727 8.631 -9.828 1.00 74.11 H new ATOM 0 HB2 GLU A 66 1.177 5.735 -10.617 1.00 64.23 H new ATOM 0 HB3 GLU A 66 0.623 7.163 -11.467 1.00 64.23 H new ATOM 0 HG2 GLU A 66 3.493 6.174 -11.239 1.00 11.22 H new ATOM 0 HG3 GLU A 66 2.490 6.172 -12.676 1.00 11.22 H new ATOM 1133 N MET A 67 0.104 6.281 -8.131 1.00 31.54 N ATOM 1134 CA MET A 67 -1.119 5.917 -7.410 1.00 42.13 C ATOM 1135 C MET A 67 -1.323 6.808 -6.162 1.00 3.54 C ATOM 1136 O MET A 67 -2.442 7.220 -5.891 1.00 4.33 O ATOM 1137 CB MET A 67 -1.054 4.425 -7.009 1.00 73.22 C ATOM 1138 CG MET A 67 -2.410 3.786 -6.691 1.00 52.02 C ATOM 1139 SD MET A 67 -2.270 2.173 -5.886 1.00 44.24 S ATOM 1140 CE MET A 67 -1.076 1.302 -6.907 1.00 64.23 C ATOM 0 H MET A 67 0.817 5.552 -8.116 1.00 31.54 H new ATOM 0 HA MET A 67 -1.973 6.078 -8.068 1.00 42.13 H new ATOM 0 HB2 MET A 67 -0.585 3.866 -7.819 1.00 73.22 H new ATOM 0 HB3 MET A 67 -0.408 4.325 -6.137 1.00 73.22 H new ATOM 0 HG2 MET A 67 -2.978 4.457 -6.047 1.00 52.02 H new ATOM 0 HG3 MET A 67 -2.977 3.675 -7.615 1.00 52.02 H new ATOM 0 HE1 MET A 67 -1.348 0.248 -6.966 1.00 64.23 H new ATOM 0 HE2 MET A 67 -1.071 1.732 -7.908 1.00 64.23 H new ATOM 0 HE3 MET A 67 -0.083 1.396 -6.467 1.00 64.23 H new ATOM 1150 N LEU A 68 -0.211 7.115 -5.444 1.00 60.24 N ATOM 1151 CA LEU A 68 -0.207 7.983 -4.237 1.00 0.31 C ATOM 1152 C LEU A 68 -0.841 9.356 -4.548 1.00 3.14 C ATOM 1153 O LEU A 68 -1.682 9.861 -3.796 1.00 54.53 O ATOM 1154 CB LEU A 68 1.253 8.205 -3.721 1.00 25.41 C ATOM 1155 CG LEU A 68 2.075 6.938 -3.296 1.00 45.22 C ATOM 1156 CD1 LEU A 68 3.542 7.296 -2.996 1.00 55.10 C ATOM 1157 CD2 LEU A 68 1.449 6.210 -2.096 1.00 5.23 C ATOM 0 H LEU A 68 0.715 6.764 -5.689 1.00 60.24 H new ATOM 0 HA LEU A 68 -0.792 7.479 -3.468 1.00 0.31 H new ATOM 0 HB2 LEU A 68 1.811 8.720 -4.503 1.00 25.41 H new ATOM 0 HB3 LEU A 68 1.208 8.879 -2.865 1.00 25.41 H new ATOM 0 HG LEU A 68 2.049 6.255 -4.145 1.00 45.22 H new ATOM 0 HD11 LEU A 68 4.084 6.396 -2.705 1.00 55.10 H new ATOM 0 HD12 LEU A 68 4.002 7.724 -3.887 1.00 55.10 H new ATOM 0 HD13 LEU A 68 3.581 8.022 -2.184 1.00 55.10 H new ATOM 0 HD21 LEU A 68 2.055 5.341 -1.841 1.00 5.23 H new ATOM 0 HD22 LEU A 68 1.407 6.886 -1.242 1.00 5.23 H new ATOM 0 HD23 LEU A 68 0.440 5.886 -2.353 1.00 5.23 H new ATOM 1169 N GLU A 69 -0.425 9.920 -5.697 1.00 42.34 N ATOM 1170 CA GLU A 69 -0.849 11.252 -6.156 1.00 12.25 C ATOM 1171 C GLU A 69 -2.289 11.229 -6.682 1.00 23.53 C ATOM 1172 O GLU A 69 -3.019 12.215 -6.545 1.00 72.02 O ATOM 1173 CB GLU A 69 0.128 11.779 -7.232 1.00 20.33 C ATOM 1174 CG GLU A 69 1.590 11.850 -6.753 1.00 3.12 C ATOM 1175 CD GLU A 69 2.526 12.556 -7.739 1.00 52.23 C ATOM 1176 OE1 GLU A 69 2.681 13.796 -7.638 1.00 34.13 O ATOM 1177 OE2 GLU A 69 3.106 11.887 -8.614 1.00 13.41 O ATOM 0 H GLU A 69 0.221 9.458 -6.337 1.00 42.34 H new ATOM 0 HA GLU A 69 -0.827 11.931 -5.304 1.00 12.25 H new ATOM 0 HB2 GLU A 69 0.072 11.134 -8.109 1.00 20.33 H new ATOM 0 HB3 GLU A 69 -0.192 12.773 -7.546 1.00 20.33 H new ATOM 0 HG2 GLU A 69 1.625 12.371 -5.796 1.00 3.12 H new ATOM 0 HG3 GLU A 69 1.956 10.838 -6.579 1.00 3.12 H new ATOM 1184 N LEU A 70 -2.696 10.098 -7.275 1.00 44.22 N ATOM 1185 CA LEU A 70 -4.080 9.903 -7.737 1.00 14.44 C ATOM 1186 C LEU A 70 -5.055 9.807 -6.540 1.00 52.24 C ATOM 1187 O LEU A 70 -6.103 10.439 -6.555 1.00 62.01 O ATOM 1188 CB LEU A 70 -4.174 8.672 -8.669 1.00 42.34 C ATOM 1189 CG LEU A 70 -3.420 8.816 -10.031 1.00 53.43 C ATOM 1190 CD1 LEU A 70 -3.521 7.533 -10.871 1.00 43.51 C ATOM 1191 CD2 LEU A 70 -3.930 10.040 -10.823 1.00 40.14 C ATOM 0 H LEU A 70 -2.084 9.300 -7.447 1.00 44.22 H new ATOM 0 HA LEU A 70 -4.379 10.774 -8.320 1.00 14.44 H new ATOM 0 HB2 LEU A 70 -3.778 7.804 -8.141 1.00 42.34 H new ATOM 0 HB3 LEU A 70 -5.225 8.468 -8.873 1.00 42.34 H new ATOM 0 HG LEU A 70 -2.366 8.977 -9.805 1.00 53.43 H new ATOM 0 HD11 LEU A 70 -2.985 7.670 -11.810 1.00 43.51 H new ATOM 0 HD12 LEU A 70 -3.081 6.702 -10.320 1.00 43.51 H new ATOM 0 HD13 LEU A 70 -4.569 7.316 -11.079 1.00 43.51 H new ATOM 0 HD21 LEU A 70 -3.388 10.115 -11.766 1.00 40.14 H new ATOM 0 HD22 LEU A 70 -4.995 9.925 -11.025 1.00 40.14 H new ATOM 0 HD23 LEU A 70 -3.768 10.945 -10.238 1.00 40.14 H new ATOM 1203 N ILE A 71 -4.664 9.069 -5.489 1.00 42.32 N ATOM 1204 CA ILE A 71 -5.435 8.968 -4.223 1.00 64.34 C ATOM 1205 C ILE A 71 -5.526 10.352 -3.528 1.00 21.50 C ATOM 1206 O ILE A 71 -6.554 10.693 -2.916 1.00 63.32 O ATOM 1207 CB ILE A 71 -4.784 7.893 -3.266 1.00 1.53 C ATOM 1208 CG1 ILE A 71 -4.827 6.485 -3.936 1.00 74.45 C ATOM 1209 CG2 ILE A 71 -5.460 7.863 -1.873 1.00 2.22 C ATOM 1210 CD1 ILE A 71 -4.108 5.386 -3.180 1.00 64.21 C ATOM 0 H ILE A 71 -3.803 8.521 -5.485 1.00 42.32 H new ATOM 0 HA ILE A 71 -6.449 8.643 -4.457 1.00 64.34 H new ATOM 0 HB ILE A 71 -3.745 8.179 -3.105 1.00 1.53 H new ATOM 0 HG12 ILE A 71 -5.869 6.193 -4.064 1.00 74.45 H new ATOM 0 HG13 ILE A 71 -4.393 6.562 -4.933 1.00 74.45 H new ATOM 0 HG21 ILE A 71 -4.978 7.109 -1.251 1.00 2.22 H new ATOM 0 HG22 ILE A 71 -5.362 8.840 -1.400 1.00 2.22 H new ATOM 0 HG23 ILE A 71 -6.516 7.619 -1.986 1.00 2.22 H new ATOM 0 HD11 ILE A 71 -4.197 4.448 -3.729 1.00 64.21 H new ATOM 0 HD12 ILE A 71 -3.055 5.646 -3.074 1.00 64.21 H new ATOM 0 HD13 ILE A 71 -4.554 5.272 -2.192 1.00 64.21 H new ATOM 1222 N SER A 72 -4.450 11.151 -3.684 1.00 42.33 N ATOM 1223 CA SER A 72 -4.380 12.527 -3.163 1.00 13.30 C ATOM 1224 C SER A 72 -5.477 13.411 -3.799 1.00 42.33 C ATOM 1225 O SER A 72 -6.184 14.140 -3.091 1.00 22.30 O ATOM 1226 CB SER A 72 -2.971 13.124 -3.421 1.00 63.40 C ATOM 1227 OG SER A 72 -2.836 14.427 -2.871 1.00 14.32 O ATOM 0 H SER A 72 -3.606 10.857 -4.176 1.00 42.33 H new ATOM 0 HA SER A 72 -4.554 12.501 -2.087 1.00 13.30 H new ATOM 0 HB2 SER A 72 -2.215 12.468 -2.989 1.00 63.40 H new ATOM 0 HB3 SER A 72 -2.785 13.162 -4.494 1.00 63.40 H new ATOM 0 HG SER A 72 -1.935 14.767 -3.053 1.00 14.32 H new ATOM 1233 N LYS A 73 -5.633 13.312 -5.141 1.00 22.30 N ATOM 1234 CA LYS A 73 -6.636 14.105 -5.890 1.00 71.11 C ATOM 1235 C LYS A 73 -8.036 13.460 -5.827 1.00 44.31 C ATOM 1236 O LYS A 73 -9.027 14.106 -6.188 1.00 72.03 O ATOM 1237 CB LYS A 73 -6.158 14.384 -7.358 1.00 12.03 C ATOM 1238 CG LYS A 73 -5.826 13.149 -8.248 1.00 12.12 C ATOM 1239 CD LYS A 73 -7.061 12.434 -8.880 1.00 2.32 C ATOM 1240 CE LYS A 73 -7.574 13.090 -10.173 1.00 12.22 C ATOM 1241 NZ LYS A 73 -7.937 14.524 -10.013 1.00 54.15 N ATOM 0 H LYS A 73 -5.076 12.690 -5.727 1.00 22.30 H new ATOM 0 HA LYS A 73 -6.729 15.076 -5.403 1.00 71.11 H new ATOM 0 HB2 LYS A 73 -6.932 14.964 -7.861 1.00 12.03 H new ATOM 0 HB3 LYS A 73 -5.270 15.014 -7.310 1.00 12.03 H new ATOM 0 HG2 LYS A 73 -5.161 13.468 -9.051 1.00 12.12 H new ATOM 0 HG3 LYS A 73 -5.276 12.425 -7.647 1.00 12.12 H new ATOM 0 HD2 LYS A 73 -6.798 11.397 -9.091 1.00 2.32 H new ATOM 0 HD3 LYS A 73 -7.870 12.416 -8.149 1.00 2.32 H new ATOM 0 HE2 LYS A 73 -6.808 13.002 -10.943 1.00 12.22 H new ATOM 0 HE3 LYS A 73 -8.446 12.541 -10.527 1.00 12.22 H new ATOM 0 HZ1 LYS A 73 -8.474 14.841 -10.845 1.00 54.15 H new ATOM 0 HZ2 LYS A 73 -8.520 14.641 -9.160 1.00 54.15 H new ATOM 0 HZ3 LYS A 73 -7.071 15.093 -9.922 1.00 54.15 H new ATOM 1255 N LEU A 74 -8.109 12.175 -5.398 1.00 63.23 N ATOM 1256 CA LEU A 74 -9.392 11.513 -5.067 1.00 54.12 C ATOM 1257 C LEU A 74 -9.923 12.056 -3.725 1.00 53.44 C ATOM 1258 O LEU A 74 -11.136 12.093 -3.497 1.00 21.51 O ATOM 1259 CB LEU A 74 -9.246 9.956 -4.992 1.00 24.31 C ATOM 1260 CG LEU A 74 -8.954 9.191 -6.330 1.00 14.10 C ATOM 1261 CD1 LEU A 74 -8.795 7.674 -6.080 1.00 14.11 C ATOM 1262 CD2 LEU A 74 -10.037 9.462 -7.397 1.00 52.25 C ATOM 0 H LEU A 74 -7.292 11.577 -5.274 1.00 63.23 H new ATOM 0 HA LEU A 74 -10.099 11.738 -5.866 1.00 54.12 H new ATOM 0 HB2 LEU A 74 -8.443 9.727 -4.291 1.00 24.31 H new ATOM 0 HB3 LEU A 74 -10.165 9.552 -4.567 1.00 24.31 H new ATOM 0 HG LEU A 74 -8.011 9.574 -6.719 1.00 14.10 H new ATOM 0 HD11 LEU A 74 -8.593 7.169 -7.025 1.00 14.11 H new ATOM 0 HD12 LEU A 74 -7.966 7.503 -5.393 1.00 14.11 H new ATOM 0 HD13 LEU A 74 -9.713 7.279 -5.646 1.00 14.11 H new ATOM 0 HD21 LEU A 74 -9.796 8.913 -8.307 1.00 52.25 H new ATOM 0 HD22 LEU A 74 -11.007 9.135 -7.022 1.00 52.25 H new ATOM 0 HD23 LEU A 74 -10.073 10.529 -7.616 1.00 52.25 H new ATOM 1274 N GLY A 75 -8.990 12.459 -2.839 1.00 13.11 N ATOM 1275 CA GLY A 75 -9.327 13.074 -1.548 1.00 73.34 C ATOM 1276 C GLY A 75 -9.247 12.104 -0.380 1.00 22.13 C ATOM 1277 O GLY A 75 -9.653 12.443 0.737 1.00 5.24 O ATOM 0 H GLY A 75 -7.987 12.366 -3.001 1.00 13.11 H new ATOM 0 HA2 GLY A 75 -8.652 13.909 -1.364 1.00 73.34 H new ATOM 0 HA3 GLY A 75 -10.335 13.485 -1.601 1.00 73.34 H new ATOM 1281 N TYR A 76 -8.734 10.892 -0.631 1.00 12.54 N ATOM 1282 CA TYR A 76 -8.578 9.859 0.414 1.00 35.52 C ATOM 1283 C TYR A 76 -7.209 9.996 1.089 1.00 44.44 C ATOM 1284 O TYR A 76 -6.298 10.622 0.523 1.00 25.12 O ATOM 1285 CB TYR A 76 -8.725 8.441 -0.196 1.00 5.13 C ATOM 1286 CG TYR A 76 -9.982 8.237 -1.058 1.00 24.24 C ATOM 1287 CD1 TYR A 76 -11.216 8.776 -0.678 1.00 31.22 C ATOM 1288 CD2 TYR A 76 -9.930 7.506 -2.247 1.00 65.32 C ATOM 1289 CE1 TYR A 76 -12.341 8.602 -1.460 1.00 30.12 C ATOM 1290 CE2 TYR A 76 -11.052 7.328 -3.027 1.00 54.32 C ATOM 1291 CZ TYR A 76 -12.253 7.875 -2.631 1.00 13.12 C ATOM 1292 OH TYR A 76 -13.372 7.705 -3.416 1.00 0.31 O ATOM 0 H TYR A 76 -8.417 10.597 -1.554 1.00 12.54 H new ATOM 0 HA TYR A 76 -9.360 10.001 1.159 1.00 35.52 H new ATOM 0 HB2 TYR A 76 -7.846 8.230 -0.805 1.00 5.13 H new ATOM 0 HB3 TYR A 76 -8.735 7.712 0.614 1.00 5.13 H new ATOM 0 HD1 TYR A 76 -11.290 9.337 0.242 1.00 31.22 H new ATOM 0 HD2 TYR A 76 -8.992 7.072 -2.561 1.00 65.32 H new ATOM 0 HE1 TYR A 76 -13.284 9.032 -1.157 1.00 30.12 H new ATOM 0 HE2 TYR A 76 -10.990 6.762 -3.945 1.00 54.32 H new ATOM 0 HH TYR A 76 -13.466 6.758 -3.652 1.00 0.31 H new ATOM 1302 N LYS A 77 -7.065 9.398 2.289 1.00 2.54 N ATOM 1303 CA LYS A 77 -5.788 9.406 3.010 1.00 14.42 C ATOM 1304 C LYS A 77 -4.781 8.505 2.293 1.00 12.04 C ATOM 1305 O LYS A 77 -5.082 7.344 1.994 1.00 31.00 O ATOM 1306 CB LYS A 77 -5.937 8.953 4.484 1.00 53.04 C ATOM 1307 CG LYS A 77 -4.576 8.830 5.233 1.00 4.41 C ATOM 1308 CD LYS A 77 -4.706 8.459 6.719 1.00 50.22 C ATOM 1309 CE LYS A 77 -5.410 9.544 7.551 1.00 42.34 C ATOM 1310 NZ LYS A 77 -5.441 9.185 8.996 1.00 54.32 N ATOM 0 H LYS A 77 -7.817 8.907 2.773 1.00 2.54 H new ATOM 0 HA LYS A 77 -5.430 10.435 3.020 1.00 14.42 H new ATOM 0 HB2 LYS A 77 -6.572 9.664 5.013 1.00 53.04 H new ATOM 0 HB3 LYS A 77 -6.447 7.990 4.511 1.00 53.04 H new ATOM 0 HG2 LYS A 77 -3.966 8.077 4.734 1.00 4.41 H new ATOM 0 HG3 LYS A 77 -4.042 9.777 5.152 1.00 4.41 H new ATOM 0 HD2 LYS A 77 -5.261 7.525 6.807 1.00 50.22 H new ATOM 0 HD3 LYS A 77 -3.713 8.280 7.131 1.00 50.22 H new ATOM 0 HE2 LYS A 77 -4.894 10.496 7.422 1.00 42.34 H new ATOM 0 HE3 LYS A 77 -6.428 9.681 7.186 1.00 42.34 H new ATOM 0 HZ1 LYS A 77 -6.321 9.539 9.423 1.00 54.32 H new ATOM 0 HZ2 LYS A 77 -5.398 8.151 9.098 1.00 54.32 H new ATOM 0 HZ3 LYS A 77 -4.626 9.614 9.478 1.00 54.32 H new ATOM 1324 N VAL A 78 -3.598 9.061 2.016 1.00 15.44 N ATOM 1325 CA VAL A 78 -2.497 8.326 1.410 1.00 60.03 C ATOM 1326 C VAL A 78 -1.599 7.776 2.533 1.00 13.12 C ATOM 1327 O VAL A 78 -0.886 8.527 3.217 1.00 42.51 O ATOM 1328 CB VAL A 78 -1.669 9.233 0.433 1.00 43.30 C ATOM 1329 CG1 VAL A 78 -0.582 8.414 -0.286 1.00 61.11 C ATOM 1330 CG2 VAL A 78 -2.592 9.947 -0.581 1.00 73.34 C ATOM 0 H VAL A 78 -3.382 10.039 2.209 1.00 15.44 H new ATOM 0 HA VAL A 78 -2.899 7.504 0.817 1.00 60.03 H new ATOM 0 HB VAL A 78 -1.173 10.001 1.026 1.00 43.30 H new ATOM 0 HG11 VAL A 78 -0.021 9.064 -0.958 1.00 61.11 H new ATOM 0 HG12 VAL A 78 0.095 7.983 0.451 1.00 61.11 H new ATOM 0 HG13 VAL A 78 -1.049 7.615 -0.861 1.00 61.11 H new ATOM 0 HG21 VAL A 78 -1.991 10.568 -1.245 1.00 73.34 H new ATOM 0 HG22 VAL A 78 -3.131 9.204 -1.168 1.00 73.34 H new ATOM 0 HG23 VAL A 78 -3.306 10.573 -0.045 1.00 73.34 H new ATOM 1340 N PHE A 79 -1.691 6.466 2.737 1.00 61.51 N ATOM 1341 CA PHE A 79 -0.832 5.707 3.647 1.00 61.22 C ATOM 1342 C PHE A 79 -0.029 4.727 2.784 1.00 42.35 C ATOM 1343 O PHE A 79 -0.562 4.140 1.840 1.00 10.22 O ATOM 1344 CB PHE A 79 -1.690 4.958 4.716 1.00 24.32 C ATOM 1345 CG PHE A 79 -0.893 4.242 5.824 1.00 43.31 C ATOM 1346 CD1 PHE A 79 -0.249 3.027 5.588 1.00 2.13 C ATOM 1347 CD2 PHE A 79 -0.819 4.772 7.111 1.00 12.20 C ATOM 1348 CE1 PHE A 79 0.456 2.380 6.583 1.00 71.00 C ATOM 1349 CE2 PHE A 79 -0.113 4.121 8.110 1.00 24.11 C ATOM 1350 CZ PHE A 79 0.516 2.923 7.845 1.00 73.14 C ATOM 0 H PHE A 79 -2.382 5.885 2.263 1.00 61.51 H new ATOM 0 HA PHE A 79 -0.160 6.366 4.196 1.00 61.22 H new ATOM 0 HB2 PHE A 79 -2.364 5.676 5.184 1.00 24.32 H new ATOM 0 HB3 PHE A 79 -2.312 4.222 4.207 1.00 24.32 H new ATOM 0 HD1 PHE A 79 -0.303 2.583 4.605 1.00 2.13 H new ATOM 0 HD2 PHE A 79 -1.319 5.703 7.333 1.00 12.20 H new ATOM 0 HE1 PHE A 79 0.960 1.449 6.371 1.00 71.00 H new ATOM 0 HE2 PHE A 79 -0.055 4.553 9.098 1.00 24.11 H new ATOM 0 HZ PHE A 79 1.056 2.411 8.628 1.00 73.14 H new ATOM 1360 N LEU A 80 1.237 4.539 3.123 1.00 51.03 N ATOM 1361 CA LEU A 80 2.151 3.691 2.369 1.00 4.31 C ATOM 1362 C LEU A 80 2.882 2.770 3.357 1.00 3.44 C ATOM 1363 O LEU A 80 3.155 3.148 4.496 1.00 12.43 O ATOM 1364 CB LEU A 80 3.128 4.592 1.554 1.00 62.52 C ATOM 1365 CG LEU A 80 4.160 3.877 0.617 1.00 2.13 C ATOM 1366 CD1 LEU A 80 3.472 2.972 -0.415 1.00 22.52 C ATOM 1367 CD2 LEU A 80 5.065 4.911 -0.079 1.00 11.23 C ATOM 0 H LEU A 80 1.665 4.976 3.939 1.00 51.03 H new ATOM 0 HA LEU A 80 1.619 3.063 1.654 1.00 4.31 H new ATOM 0 HB2 LEU A 80 2.531 5.268 0.942 1.00 62.52 H new ATOM 0 HB3 LEU A 80 3.685 5.208 2.260 1.00 62.52 H new ATOM 0 HG LEU A 80 4.779 3.235 1.244 1.00 2.13 H new ATOM 0 HD11 LEU A 80 4.226 2.497 -1.043 1.00 22.52 H new ATOM 0 HD12 LEU A 80 2.894 2.205 0.101 1.00 22.52 H new ATOM 0 HD13 LEU A 80 2.806 3.570 -1.037 1.00 22.52 H new ATOM 0 HD21 LEU A 80 5.775 4.396 -0.726 1.00 11.23 H new ATOM 0 HD22 LEU A 80 4.453 5.586 -0.677 1.00 11.23 H new ATOM 0 HD23 LEU A 80 5.608 5.484 0.673 1.00 11.23 H new ATOM 1379 N LEU A 81 3.133 1.552 2.920 1.00 3.44 N ATOM 1380 CA LEU A 81 3.883 0.537 3.658 1.00 23.24 C ATOM 1381 C LEU A 81 4.718 -0.191 2.626 1.00 62.01 C ATOM 1382 O LEU A 81 4.173 -0.835 1.734 1.00 23.14 O ATOM 1383 CB LEU A 81 2.921 -0.442 4.404 1.00 61.30 C ATOM 1384 CG LEU A 81 3.557 -1.763 4.981 1.00 50.20 C ATOM 1385 CD1 LEU A 81 4.725 -1.476 5.948 1.00 23.35 C ATOM 1386 CD2 LEU A 81 2.483 -2.645 5.648 1.00 64.11 C ATOM 0 H LEU A 81 2.812 1.223 2.009 1.00 3.44 H new ATOM 0 HA LEU A 81 4.510 0.986 4.428 1.00 23.24 H new ATOM 0 HB2 LEU A 81 2.458 0.100 5.228 1.00 61.30 H new ATOM 0 HB3 LEU A 81 2.122 -0.722 3.717 1.00 61.30 H new ATOM 0 HG LEU A 81 3.975 -2.313 4.138 1.00 50.20 H new ATOM 0 HD11 LEU A 81 5.130 -2.418 6.319 1.00 23.35 H new ATOM 0 HD12 LEU A 81 5.506 -0.927 5.422 1.00 23.35 H new ATOM 0 HD13 LEU A 81 4.365 -0.880 6.787 1.00 23.35 H new ATOM 0 HD21 LEU A 81 2.947 -3.551 6.038 1.00 64.11 H new ATOM 0 HD22 LEU A 81 2.017 -2.095 6.465 1.00 64.11 H new ATOM 0 HD23 LEU A 81 1.725 -2.914 4.913 1.00 64.11 H new ATOM 1398 N LEU A 82 6.037 -0.058 2.723 1.00 63.14 N ATOM 1399 CA LEU A 82 6.961 -0.645 1.757 1.00 44.23 C ATOM 1400 C LEU A 82 7.948 -1.587 2.471 1.00 43.44 C ATOM 1401 O LEU A 82 8.495 -1.261 3.535 1.00 4.34 O ATOM 1402 CB LEU A 82 7.651 0.483 0.898 1.00 40.04 C ATOM 1403 CG LEU A 82 7.982 1.864 1.590 1.00 51.42 C ATOM 1404 CD1 LEU A 82 9.063 1.752 2.678 1.00 72.30 C ATOM 1405 CD2 LEU A 82 8.386 2.923 0.547 1.00 11.44 C ATOM 0 H LEU A 82 6.496 0.459 3.473 1.00 63.14 H new ATOM 0 HA LEU A 82 6.415 -1.265 1.046 1.00 44.23 H new ATOM 0 HB2 LEU A 82 8.584 0.077 0.506 1.00 40.04 H new ATOM 0 HB3 LEU A 82 7.008 0.687 0.042 1.00 40.04 H new ATOM 0 HG LEU A 82 7.064 2.179 2.085 1.00 51.42 H new ATOM 0 HD11 LEU A 82 9.244 2.735 3.114 1.00 72.30 H new ATOM 0 HD12 LEU A 82 8.727 1.066 3.456 1.00 72.30 H new ATOM 0 HD13 LEU A 82 9.986 1.376 2.237 1.00 72.30 H new ATOM 0 HD21 LEU A 82 8.608 3.864 1.051 1.00 11.44 H new ATOM 0 HD22 LEU A 82 9.270 2.583 0.007 1.00 11.44 H new ATOM 0 HD23 LEU A 82 7.566 3.073 -0.156 1.00 11.44 H new ATOM 1417 N GLN A 83 8.121 -2.776 1.880 1.00 11.01 N ATOM 1418 CA GLN A 83 9.057 -3.793 2.349 1.00 23.34 C ATOM 1419 C GLN A 83 9.808 -4.347 1.137 1.00 61.42 C ATOM 1420 O GLN A 83 9.256 -4.418 0.023 1.00 14.30 O ATOM 1421 CB GLN A 83 8.335 -4.914 3.178 1.00 43.55 C ATOM 1422 CG GLN A 83 7.696 -6.094 2.391 1.00 54.25 C ATOM 1423 CD GLN A 83 8.678 -7.225 2.012 1.00 41.44 C ATOM 1424 OE1 GLN A 83 8.538 -7.864 0.961 1.00 51.21 O ATOM 1425 NE2 GLN A 83 9.651 -7.508 2.870 1.00 41.03 N ATOM 0 H GLN A 83 7.603 -3.058 1.048 1.00 11.01 H new ATOM 0 HA GLN A 83 9.775 -3.347 3.038 1.00 23.34 H new ATOM 0 HB2 GLN A 83 9.057 -5.331 3.880 1.00 43.55 H new ATOM 0 HB3 GLN A 83 7.551 -4.442 3.770 1.00 43.55 H new ATOM 0 HG2 GLN A 83 6.889 -6.517 2.990 1.00 54.25 H new ATOM 0 HG3 GLN A 83 7.245 -5.703 1.479 1.00 54.25 H new ATOM 0 HE21 GLN A 83 9.746 -6.967 3.730 1.00 41.03 H new ATOM 0 HE22 GLN A 83 10.303 -8.266 2.669 1.00 41.03 H new ATOM 1434 N ASP A 84 11.061 -4.726 1.367 1.00 15.31 N ATOM 1435 CA ASP A 84 11.952 -5.227 0.319 1.00 13.02 C ATOM 1436 C ASP A 84 13.137 -5.926 0.987 1.00 61.52 C ATOM 1437 O ASP A 84 13.468 -5.626 2.139 1.00 1.50 O ATOM 1438 CB ASP A 84 12.434 -4.047 -0.590 1.00 43.31 C ATOM 1439 CG ASP A 84 12.957 -4.483 -1.967 1.00 53.10 C ATOM 1440 OD1 ASP A 84 14.093 -4.991 -2.049 1.00 75.14 O ATOM 1441 OD2 ASP A 84 12.223 -4.338 -2.974 1.00 71.45 O ATOM 0 H ASP A 84 11.492 -4.695 2.291 1.00 15.31 H new ATOM 0 HA ASP A 84 11.425 -5.938 -0.317 1.00 13.02 H new ATOM 0 HB2 ASP A 84 11.607 -3.352 -0.732 1.00 43.31 H new ATOM 0 HB3 ASP A 84 13.222 -3.502 -0.071 1.00 43.31 H new ATOM 1446 N GLN A 85 13.783 -6.835 0.251 1.00 64.25 N ATOM 1447 CA GLN A 85 14.959 -7.587 0.740 1.00 60.41 C ATOM 1448 C GLN A 85 16.215 -6.692 0.803 1.00 71.32 C ATOM 1449 O GLN A 85 17.236 -7.072 1.390 1.00 20.20 O ATOM 1450 CB GLN A 85 15.196 -8.818 -0.167 1.00 75.13 C ATOM 1451 CG GLN A 85 13.962 -9.741 -0.304 1.00 64.12 C ATOM 1452 CD GLN A 85 13.465 -10.347 1.028 1.00 51.52 C ATOM 1453 OE1 GLN A 85 14.244 -10.618 1.945 1.00 24.42 O ATOM 1454 NE2 GLN A 85 12.163 -10.572 1.136 1.00 64.42 N ATOM 0 H GLN A 85 13.511 -7.076 -0.702 1.00 64.25 H new ATOM 0 HA GLN A 85 14.760 -7.927 1.756 1.00 60.41 H new ATOM 0 HB2 GLN A 85 15.493 -8.475 -1.158 1.00 75.13 H new ATOM 0 HB3 GLN A 85 16.028 -9.397 0.233 1.00 75.13 H new ATOM 0 HG2 GLN A 85 13.148 -9.174 -0.757 1.00 64.12 H new ATOM 0 HG3 GLN A 85 14.205 -10.553 -0.990 1.00 64.12 H new ATOM 0 HE21 GLN A 85 11.539 -10.339 0.363 1.00 64.42 H new ATOM 0 HE22 GLN A 85 11.785 -10.978 1.992 1.00 64.42 H new ATOM 1463 N ASP A 86 16.117 -5.514 0.169 1.00 35.10 N ATOM 1464 CA ASP A 86 17.138 -4.457 0.188 1.00 73.22 C ATOM 1465 C ASP A 86 16.445 -3.122 0.529 1.00 34.43 C ATOM 1466 O ASP A 86 15.651 -2.596 -0.266 1.00 14.32 O ATOM 1467 CB ASP A 86 17.863 -4.385 -1.185 1.00 40.54 C ATOM 1468 CG ASP A 86 18.782 -5.593 -1.453 1.00 62.14 C ATOM 1469 OD1 ASP A 86 18.306 -6.629 -1.967 1.00 73.12 O ATOM 1470 OD2 ASP A 86 19.988 -5.516 -1.139 1.00 42.54 O ATOM 0 H ASP A 86 15.300 -5.263 -0.388 1.00 35.10 H new ATOM 0 HA ASP A 86 17.895 -4.672 0.942 1.00 73.22 H new ATOM 0 HB2 ASP A 86 17.118 -4.321 -1.978 1.00 40.54 H new ATOM 0 HB3 ASP A 86 18.455 -3.471 -1.228 1.00 40.54 H new ATOM 1475 N GLU A 87 16.750 -2.579 1.726 1.00 2.31 N ATOM 1476 CA GLU A 87 16.061 -1.391 2.275 1.00 10.52 C ATOM 1477 C GLU A 87 16.571 -0.069 1.645 1.00 22.01 C ATOM 1478 O GLU A 87 15.997 0.993 1.900 1.00 12.12 O ATOM 1479 CB GLU A 87 16.169 -1.353 3.828 1.00 50.21 C ATOM 1480 CG GLU A 87 15.264 -0.288 4.505 1.00 31.33 C ATOM 1481 CD GLU A 87 15.135 -0.422 6.024 1.00 71.15 C ATOM 1482 OE1 GLU A 87 15.962 0.156 6.757 1.00 73.03 O ATOM 1483 OE2 GLU A 87 14.189 -1.094 6.493 1.00 70.00 O ATOM 0 H GLU A 87 17.478 -2.949 2.337 1.00 2.31 H new ATOM 0 HA GLU A 87 15.008 -1.481 2.007 1.00 10.52 H new ATOM 0 HB2 GLU A 87 15.911 -2.336 4.223 1.00 50.21 H new ATOM 0 HB3 GLU A 87 17.206 -1.160 4.104 1.00 50.21 H new ATOM 0 HG2 GLU A 87 15.658 0.702 4.275 1.00 31.33 H new ATOM 0 HG3 GLU A 87 14.269 -0.345 4.064 1.00 31.33 H new ATOM 1490 N ASN A 88 17.607 -0.130 0.778 1.00 73.05 N ATOM 1491 CA ASN A 88 18.141 1.075 0.095 1.00 61.15 C ATOM 1492 C ASN A 88 17.064 1.655 -0.845 1.00 72.13 C ATOM 1493 O ASN A 88 16.901 2.876 -0.943 1.00 61.53 O ATOM 1494 CB ASN A 88 19.438 0.759 -0.696 1.00 41.35 C ATOM 1495 CG ASN A 88 20.471 -0.007 0.127 1.00 62.12 C ATOM 1496 OD1 ASN A 88 20.506 -1.235 0.114 1.00 15.24 O ATOM 1497 ND2 ASN A 88 21.292 0.698 0.878 1.00 63.15 N ATOM 0 H ASN A 88 18.089 -0.995 0.534 1.00 73.05 H new ATOM 0 HA ASN A 88 18.397 1.813 0.855 1.00 61.15 H new ATOM 0 HB2 ASN A 88 19.183 0.176 -1.581 1.00 41.35 H new ATOM 0 HB3 ASN A 88 19.880 1.692 -1.045 1.00 41.35 H new ATOM 0 HD21 ASN A 88 21.977 0.225 1.467 1.00 63.15 H new ATOM 0 HD22 ASN A 88 21.242 1.717 0.870 1.00 63.15 H new ATOM 1504 N GLU A 89 16.318 0.736 -1.499 1.00 2.54 N ATOM 1505 CA GLU A 89 15.105 1.057 -2.271 1.00 55.44 C ATOM 1506 C GLU A 89 14.068 1.802 -1.407 1.00 52.32 C ATOM 1507 O GLU A 89 13.527 2.836 -1.807 1.00 3.43 O ATOM 1508 CB GLU A 89 14.464 -0.256 -2.807 1.00 55.01 C ATOM 1509 CG GLU A 89 15.224 -0.930 -3.960 1.00 52.54 C ATOM 1510 CD GLU A 89 15.240 -0.073 -5.240 1.00 51.51 C ATOM 1511 OE1 GLU A 89 14.174 0.079 -5.871 1.00 24.31 O ATOM 1512 OE2 GLU A 89 16.302 0.479 -5.605 1.00 43.33 O ATOM 0 H GLU A 89 16.547 -0.258 -1.503 1.00 2.54 H new ATOM 0 HA GLU A 89 15.397 1.704 -3.098 1.00 55.44 H new ATOM 0 HB2 GLU A 89 14.383 -0.965 -1.983 1.00 55.01 H new ATOM 0 HB3 GLU A 89 13.450 -0.037 -3.140 1.00 55.01 H new ATOM 0 HG2 GLU A 89 16.249 -1.129 -3.647 1.00 52.54 H new ATOM 0 HG3 GLU A 89 14.765 -1.894 -4.178 1.00 52.54 H new ATOM 1519 N LEU A 90 13.835 1.246 -0.212 1.00 73.42 N ATOM 1520 CA LEU A 90 12.762 1.666 0.700 1.00 63.32 C ATOM 1521 C LEU A 90 13.020 3.043 1.319 1.00 10.31 C ATOM 1522 O LEU A 90 12.086 3.817 1.490 1.00 14.44 O ATOM 1523 CB LEU A 90 12.609 0.623 1.827 1.00 22.03 C ATOM 1524 CG LEU A 90 12.319 -0.833 1.378 1.00 73.30 C ATOM 1525 CD1 LEU A 90 12.199 -1.762 2.598 1.00 51.34 C ATOM 1526 CD2 LEU A 90 11.070 -0.902 0.481 1.00 12.40 C ATOM 0 H LEU A 90 14.396 0.478 0.156 1.00 73.42 H new ATOM 0 HA LEU A 90 11.847 1.738 0.112 1.00 63.32 H new ATOM 0 HB2 LEU A 90 13.524 0.623 2.420 1.00 22.03 H new ATOM 0 HB3 LEU A 90 11.802 0.946 2.485 1.00 22.03 H new ATOM 0 HG LEU A 90 13.161 -1.180 0.779 1.00 73.30 H new ATOM 0 HD11 LEU A 90 11.995 -2.779 2.262 1.00 51.34 H new ATOM 0 HD12 LEU A 90 13.132 -1.746 3.161 1.00 51.34 H new ATOM 0 HD13 LEU A 90 11.384 -1.421 3.236 1.00 51.34 H new ATOM 0 HD21 LEU A 90 10.893 -1.935 0.183 1.00 12.40 H new ATOM 0 HD22 LEU A 90 10.206 -0.530 1.031 1.00 12.40 H new ATOM 0 HD23 LEU A 90 11.226 -0.290 -0.407 1.00 12.40 H new ATOM 1538 N GLU A 91 14.286 3.313 1.674 1.00 14.24 N ATOM 1539 CA GLU A 91 14.669 4.536 2.404 1.00 5.41 C ATOM 1540 C GLU A 91 14.815 5.725 1.449 1.00 33.20 C ATOM 1541 O GLU A 91 14.544 6.855 1.841 1.00 14.42 O ATOM 1542 CB GLU A 91 15.969 4.303 3.211 1.00 20.25 C ATOM 1543 CG GLU A 91 17.221 4.029 2.360 1.00 61.45 C ATOM 1544 CD GLU A 91 18.469 3.722 3.195 1.00 43.54 C ATOM 1545 OE1 GLU A 91 18.641 2.565 3.612 1.00 15.40 O ATOM 1546 OE2 GLU A 91 19.280 4.636 3.444 1.00 61.12 O ATOM 0 H GLU A 91 15.070 2.695 1.466 1.00 14.24 H new ATOM 0 HA GLU A 91 13.872 4.776 3.108 1.00 5.41 H new ATOM 0 HB2 GLU A 91 16.155 5.179 3.833 1.00 20.25 H new ATOM 0 HB3 GLU A 91 15.815 3.461 3.885 1.00 20.25 H new ATOM 0 HG2 GLU A 91 17.022 3.189 1.695 1.00 61.45 H new ATOM 0 HG3 GLU A 91 17.419 4.895 1.729 1.00 61.45 H new ATOM 1553 N GLU A 92 15.242 5.451 0.201 1.00 20.32 N ATOM 1554 CA GLU A 92 15.274 6.431 -0.875 1.00 4.14 C ATOM 1555 C GLU A 92 13.846 6.890 -1.199 1.00 4.32 C ATOM 1556 O GLU A 92 13.571 8.092 -1.311 1.00 35.33 O ATOM 1557 CB GLU A 92 15.944 5.747 -2.086 1.00 14.32 C ATOM 1558 CG GLU A 92 15.788 6.442 -3.441 1.00 40.25 C ATOM 1559 CD GLU A 92 16.314 7.889 -3.477 1.00 62.23 C ATOM 1560 OE1 GLU A 92 17.537 8.099 -3.340 1.00 41.34 O ATOM 1561 OE2 GLU A 92 15.505 8.825 -3.646 1.00 5.23 O ATOM 0 H GLU A 92 15.576 4.529 -0.080 1.00 20.32 H new ATOM 0 HA GLU A 92 15.839 7.321 -0.596 1.00 4.14 H new ATOM 0 HB2 GLU A 92 17.009 5.648 -1.875 1.00 14.32 H new ATOM 0 HB3 GLU A 92 15.541 4.738 -2.173 1.00 14.32 H new ATOM 0 HG2 GLU A 92 16.313 5.859 -4.198 1.00 40.25 H new ATOM 0 HG3 GLU A 92 14.733 6.445 -3.715 1.00 40.25 H new ATOM 1568 N PHE A 93 12.954 5.898 -1.323 1.00 75.11 N ATOM 1569 CA PHE A 93 11.539 6.124 -1.604 1.00 31.10 C ATOM 1570 C PHE A 93 10.894 6.913 -0.443 1.00 21.45 C ATOM 1571 O PHE A 93 10.316 7.975 -0.662 1.00 42.12 O ATOM 1572 CB PHE A 93 10.820 4.762 -1.840 1.00 12.32 C ATOM 1573 CG PHE A 93 9.532 4.865 -2.658 1.00 30.23 C ATOM 1574 CD1 PHE A 93 8.353 5.350 -2.096 1.00 23.52 C ATOM 1575 CD2 PHE A 93 9.513 4.492 -3.999 1.00 41.20 C ATOM 1576 CE1 PHE A 93 7.202 5.455 -2.846 1.00 54.24 C ATOM 1577 CE2 PHE A 93 8.358 4.596 -4.741 1.00 22.30 C ATOM 1578 CZ PHE A 93 7.205 5.082 -4.166 1.00 34.42 C ATOM 0 H PHE A 93 13.200 4.913 -1.230 1.00 75.11 H new ATOM 0 HA PHE A 93 11.436 6.718 -2.512 1.00 31.10 H new ATOM 0 HB2 PHE A 93 11.507 4.085 -2.348 1.00 12.32 H new ATOM 0 HB3 PHE A 93 10.588 4.314 -0.874 1.00 12.32 H new ATOM 0 HD1 PHE A 93 8.341 5.648 -1.058 1.00 23.52 H new ATOM 0 HD2 PHE A 93 10.414 4.117 -4.462 1.00 41.20 H new ATOM 0 HE1 PHE A 93 6.296 5.831 -2.394 1.00 54.24 H new ATOM 0 HE2 PHE A 93 8.356 4.295 -5.778 1.00 22.30 H new ATOM 0 HZ PHE A 93 6.303 5.169 -4.754 1.00 34.42 H new ATOM 1588 N LYS A 94 11.076 6.395 0.786 1.00 22.33 N ATOM 1589 CA LYS A 94 10.442 6.930 2.002 1.00 21.44 C ATOM 1590 C LYS A 94 10.854 8.387 2.273 1.00 10.52 C ATOM 1591 O LYS A 94 9.990 9.205 2.558 1.00 33.44 O ATOM 1592 CB LYS A 94 10.776 6.052 3.241 1.00 52.43 C ATOM 1593 CG LYS A 94 10.242 6.623 4.566 1.00 41.42 C ATOM 1594 CD LYS A 94 10.590 5.771 5.793 1.00 23.24 C ATOM 1595 CE LYS A 94 10.304 6.515 7.098 1.00 25.35 C ATOM 1596 NZ LYS A 94 8.863 6.854 7.264 1.00 71.44 N ATOM 0 H LYS A 94 11.672 5.587 0.963 1.00 22.33 H new ATOM 0 HA LYS A 94 9.366 6.908 1.829 1.00 21.44 H new ATOM 0 HB2 LYS A 94 10.361 5.055 3.092 1.00 52.43 H new ATOM 0 HB3 LYS A 94 11.858 5.939 3.314 1.00 52.43 H new ATOM 0 HG2 LYS A 94 10.644 7.626 4.706 1.00 41.42 H new ATOM 0 HG3 LYS A 94 9.158 6.720 4.498 1.00 41.42 H new ATOM 0 HD2 LYS A 94 10.015 4.845 5.768 1.00 23.24 H new ATOM 0 HD3 LYS A 94 11.643 5.493 5.756 1.00 23.24 H new ATOM 0 HE2 LYS A 94 10.628 5.902 7.939 1.00 25.35 H new ATOM 0 HE3 LYS A 94 10.894 7.431 7.126 1.00 25.35 H new ATOM 0 HZ1 LYS A 94 8.660 7.022 8.270 1.00 71.44 H new ATOM 0 HZ2 LYS A 94 8.643 7.712 6.718 1.00 71.44 H new ATOM 0 HZ3 LYS A 94 8.279 6.065 6.920 1.00 71.44 H new ATOM 1610 N ARG A 95 12.169 8.691 2.172 1.00 35.12 N ATOM 1611 CA ARG A 95 12.717 10.029 2.511 1.00 44.21 C ATOM 1612 C ARG A 95 12.107 11.133 1.618 1.00 1.54 C ATOM 1613 O ARG A 95 11.985 12.288 2.038 1.00 23.35 O ATOM 1614 CB ARG A 95 14.266 10.039 2.428 1.00 64.05 C ATOM 1615 CG ARG A 95 14.861 9.983 0.998 1.00 24.34 C ATOM 1616 CD ARG A 95 16.401 9.945 0.986 1.00 22.44 C ATOM 1617 NE ARG A 95 16.988 11.068 1.740 1.00 33.11 N ATOM 1618 CZ ARG A 95 18.206 11.601 1.554 1.00 63.14 C ATOM 1619 NH1 ARG A 95 19.031 11.146 0.609 1.00 51.43 N ATOM 1620 NH2 ARG A 95 18.584 12.620 2.309 1.00 54.31 N ATOM 0 H ARG A 95 12.875 8.025 1.857 1.00 35.12 H new ATOM 0 HA ARG A 95 12.435 10.245 3.542 1.00 44.21 H new ATOM 0 HB2 ARG A 95 14.632 10.940 2.919 1.00 64.05 H new ATOM 0 HB3 ARG A 95 14.648 9.190 2.994 1.00 64.05 H new ATOM 0 HG2 ARG A 95 14.478 9.101 0.486 1.00 24.34 H new ATOM 0 HG3 ARG A 95 14.520 10.852 0.435 1.00 24.34 H new ATOM 0 HD2 ARG A 95 16.744 9.003 1.414 1.00 22.44 H new ATOM 0 HD3 ARG A 95 16.756 9.975 -0.044 1.00 22.44 H new ATOM 0 HE ARG A 95 16.413 11.480 2.474 1.00 33.11 H new ATOM 0 HH11 ARG A 95 18.741 10.375 0.007 1.00 51.43 H new ATOM 0 HH12 ARG A 95 19.951 11.569 0.489 1.00 51.43 H new ATOM 0 HH21 ARG A 95 17.953 12.990 3.020 1.00 54.31 H new ATOM 0 HH22 ARG A 95 19.506 13.036 2.180 1.00 54.31 H new ATOM 1634 N LYS A 96 11.718 10.745 0.390 1.00 42.03 N ATOM 1635 CA LYS A 96 10.986 11.617 -0.533 1.00 63.32 C ATOM 1636 C LYS A 96 9.542 11.820 -0.035 1.00 33.15 C ATOM 1637 O LYS A 96 9.045 12.942 -0.004 1.00 35.23 O ATOM 1638 CB LYS A 96 10.987 11.005 -1.959 1.00 44.31 C ATOM 1639 CG LYS A 96 12.376 10.941 -2.634 1.00 52.34 C ATOM 1640 CD LYS A 96 13.005 12.336 -2.851 1.00 52.43 C ATOM 1641 CE LYS A 96 14.307 12.293 -3.677 1.00 12.40 C ATOM 1642 NZ LYS A 96 15.385 11.523 -3.007 1.00 44.21 N ATOM 0 H LYS A 96 11.905 9.816 0.014 1.00 42.03 H new ATOM 0 HA LYS A 96 11.481 12.588 -0.571 1.00 63.32 H new ATOM 0 HB2 LYS A 96 10.577 9.997 -1.907 1.00 44.31 H new ATOM 0 HB3 LYS A 96 10.318 11.589 -2.591 1.00 44.31 H new ATOM 0 HG2 LYS A 96 13.045 10.338 -2.020 1.00 52.34 H new ATOM 0 HG3 LYS A 96 12.284 10.436 -3.596 1.00 52.34 H new ATOM 0 HD2 LYS A 96 12.283 12.978 -3.355 1.00 52.43 H new ATOM 0 HD3 LYS A 96 13.212 12.789 -1.881 1.00 52.43 H new ATOM 0 HE2 LYS A 96 14.100 11.849 -4.651 1.00 12.40 H new ATOM 0 HE3 LYS A 96 14.652 13.311 -3.858 1.00 12.40 H new ATOM 0 HZ1 LYS A 96 16.292 12.018 -3.128 1.00 44.21 H new ATOM 0 HZ2 LYS A 96 15.171 11.436 -1.993 1.00 44.21 H new ATOM 0 HZ3 LYS A 96 15.449 10.575 -3.430 1.00 44.21 H new ATOM 1656 N ILE A 97 8.908 10.710 0.385 1.00 14.24 N ATOM 1657 CA ILE A 97 7.500 10.680 0.835 1.00 13.11 C ATOM 1658 C ILE A 97 7.300 11.462 2.168 1.00 2.50 C ATOM 1659 O ILE A 97 6.220 12.012 2.403 1.00 24.34 O ATOM 1660 CB ILE A 97 7.003 9.186 0.967 1.00 53.23 C ATOM 1661 CG1 ILE A 97 7.193 8.402 -0.371 1.00 42.21 C ATOM 1662 CG2 ILE A 97 5.535 9.092 1.419 1.00 54.14 C ATOM 1663 CD1 ILE A 97 6.472 8.984 -1.579 1.00 32.01 C ATOM 0 H ILE A 97 9.362 9.797 0.423 1.00 14.24 H new ATOM 0 HA ILE A 97 6.895 11.183 0.081 1.00 13.11 H new ATOM 0 HB ILE A 97 7.622 8.729 1.739 1.00 53.23 H new ATOM 0 HG12 ILE A 97 8.259 8.352 -0.595 1.00 42.21 H new ATOM 0 HG13 ILE A 97 6.850 7.378 -0.224 1.00 42.21 H new ATOM 0 HG21 ILE A 97 5.244 8.044 1.494 1.00 54.14 H new ATOM 0 HG22 ILE A 97 5.423 9.570 2.392 1.00 54.14 H new ATOM 0 HG23 ILE A 97 4.897 9.595 0.692 1.00 54.14 H new ATOM 0 HD11 ILE A 97 6.670 8.365 -2.454 1.00 32.01 H new ATOM 0 HD12 ILE A 97 5.399 9.007 -1.386 1.00 32.01 H new ATOM 0 HD13 ILE A 97 6.830 9.997 -1.763 1.00 32.01 H new ATOM 1675 N GLU A 98 8.352 11.495 3.029 1.00 13.52 N ATOM 1676 CA GLU A 98 8.404 12.372 4.226 1.00 54.31 C ATOM 1677 C GLU A 98 8.144 13.846 3.834 1.00 10.51 C ATOM 1678 O GLU A 98 7.303 14.532 4.433 1.00 2.05 O ATOM 1679 CB GLU A 98 9.797 12.289 4.932 1.00 34.21 C ATOM 1680 CG GLU A 98 10.303 10.879 5.311 1.00 43.32 C ATOM 1681 CD GLU A 98 9.403 10.112 6.298 1.00 53.54 C ATOM 1682 OE1 GLU A 98 9.591 10.226 7.521 1.00 33.23 O ATOM 1683 OE2 GLU A 98 8.525 9.363 5.855 1.00 0.22 O ATOM 0 H GLU A 98 9.184 10.916 2.912 1.00 13.52 H new ATOM 0 HA GLU A 98 7.630 12.024 4.910 1.00 54.31 H new ATOM 0 HB2 GLU A 98 10.537 12.751 4.279 1.00 34.21 H new ATOM 0 HB3 GLU A 98 9.754 12.890 5.840 1.00 34.21 H new ATOM 0 HG2 GLU A 98 10.405 10.288 4.401 1.00 43.32 H new ATOM 0 HG3 GLU A 98 11.299 10.970 5.745 1.00 43.32 H new ATOM 1690 N SER A 99 8.874 14.293 2.798 1.00 71.34 N ATOM 1691 CA SER A 99 8.799 15.661 2.272 1.00 42.33 C ATOM 1692 C SER A 99 7.474 15.886 1.505 1.00 53.20 C ATOM 1693 O SER A 99 6.946 17.004 1.482 1.00 35.24 O ATOM 1694 CB SER A 99 10.025 15.912 1.365 1.00 65.41 C ATOM 1695 OG SER A 99 10.096 17.250 0.920 1.00 62.12 O ATOM 0 H SER A 99 9.540 13.705 2.298 1.00 71.34 H new ATOM 0 HA SER A 99 8.813 16.373 3.097 1.00 42.33 H new ATOM 0 HB2 SER A 99 10.935 15.664 1.911 1.00 65.41 H new ATOM 0 HB3 SER A 99 9.979 15.246 0.503 1.00 65.41 H new ATOM 0 HG SER A 99 10.886 17.364 0.352 1.00 62.12 H new ATOM 1701 N GLN A 100 6.944 14.808 0.885 1.00 61.31 N ATOM 1702 CA GLN A 100 5.650 14.831 0.158 1.00 55.30 C ATOM 1703 C GLN A 100 4.460 14.802 1.141 1.00 75.31 C ATOM 1704 O GLN A 100 3.327 15.098 0.754 1.00 11.54 O ATOM 1705 CB GLN A 100 5.576 13.642 -0.844 1.00 20.04 C ATOM 1706 CG GLN A 100 6.621 13.715 -1.983 1.00 64.45 C ATOM 1707 CD GLN A 100 6.696 12.460 -2.860 1.00 54.40 C ATOM 1708 OE1 GLN A 100 5.704 11.763 -3.073 1.00 54.24 O ATOM 1709 NE2 GLN A 100 7.880 12.158 -3.373 1.00 52.24 N ATOM 0 H GLN A 100 7.400 13.896 0.873 1.00 61.31 H new ATOM 0 HA GLN A 100 5.588 15.762 -0.405 1.00 55.30 H new ATOM 0 HB2 GLN A 100 5.714 12.710 -0.297 1.00 20.04 H new ATOM 0 HB3 GLN A 100 4.578 13.610 -1.281 1.00 20.04 H new ATOM 0 HG2 GLN A 100 6.390 14.572 -2.616 1.00 64.45 H new ATOM 0 HG3 GLN A 100 7.603 13.897 -1.546 1.00 64.45 H new ATOM 0 HE21 GLN A 100 8.686 12.753 -3.181 1.00 52.24 H new ATOM 0 HE22 GLN A 100 7.985 11.331 -3.960 1.00 52.24 H new ATOM 1718 N GLY A 101 4.739 14.432 2.409 1.00 22.51 N ATOM 1719 CA GLY A 101 3.761 14.506 3.494 1.00 43.41 C ATOM 1720 C GLY A 101 2.714 13.407 3.452 1.00 24.35 C ATOM 1721 O GLY A 101 1.528 13.683 3.654 1.00 11.12 O ATOM 0 H GLY A 101 5.649 14.075 2.700 1.00 22.51 H new ATOM 0 HA2 GLY A 101 4.286 14.458 4.448 1.00 43.41 H new ATOM 0 HA3 GLY A 101 3.260 15.473 3.454 1.00 43.41 H new ATOM 1725 N TYR A 102 3.146 12.164 3.164 1.00 74.14 N ATOM 1726 CA TYR A 102 2.272 10.970 3.227 1.00 42.53 C ATOM 1727 C TYR A 102 2.819 10.023 4.301 1.00 24.54 C ATOM 1728 O TYR A 102 4.031 9.793 4.357 1.00 51.41 O ATOM 1729 CB TYR A 102 2.206 10.215 1.875 1.00 74.35 C ATOM 1730 CG TYR A 102 1.918 11.074 0.635 1.00 1.23 C ATOM 1731 CD1 TYR A 102 0.795 11.901 0.572 1.00 35.12 C ATOM 1732 CD2 TYR A 102 2.755 11.024 -0.483 1.00 15.35 C ATOM 1733 CE1 TYR A 102 0.520 12.640 -0.562 1.00 65.21 C ATOM 1734 CE2 TYR A 102 2.486 11.765 -1.610 1.00 75.22 C ATOM 1735 CZ TYR A 102 1.370 12.568 -1.648 1.00 2.55 C ATOM 1736 OH TYR A 102 1.101 13.307 -2.780 1.00 54.24 O ATOM 0 H TYR A 102 4.104 11.957 2.882 1.00 74.14 H new ATOM 0 HA TYR A 102 1.262 11.304 3.466 1.00 42.53 H new ATOM 0 HB2 TYR A 102 3.155 9.700 1.723 1.00 74.35 H new ATOM 0 HB3 TYR A 102 1.435 9.448 1.948 1.00 74.35 H new ATOM 0 HD1 TYR A 102 0.132 11.964 1.422 1.00 35.12 H new ATOM 0 HD2 TYR A 102 3.630 10.391 -0.462 1.00 15.35 H new ATOM 0 HE1 TYR A 102 -0.356 13.271 -0.599 1.00 65.21 H new ATOM 0 HE2 TYR A 102 3.148 11.717 -2.462 1.00 75.22 H new ATOM 0 HH TYR A 102 1.797 13.144 -3.450 1.00 54.24 H new ATOM 1746 N GLU A 103 1.922 9.473 5.133 1.00 73.14 N ATOM 1747 CA GLU A 103 2.292 8.564 6.232 1.00 41.05 C ATOM 1748 C GLU A 103 2.805 7.217 5.671 1.00 2.22 C ATOM 1749 O GLU A 103 2.030 6.438 5.129 1.00 0.21 O ATOM 1750 CB GLU A 103 1.064 8.349 7.159 1.00 40.01 C ATOM 1751 CG GLU A 103 1.310 7.422 8.369 1.00 14.32 C ATOM 1752 CD GLU A 103 2.381 7.956 9.332 1.00 41.15 C ATOM 1753 OE1 GLU A 103 2.049 8.829 10.161 1.00 34.23 O ATOM 1754 OE2 GLU A 103 3.559 7.517 9.255 1.00 45.51 O ATOM 0 H GLU A 103 0.919 9.645 5.064 1.00 73.14 H new ATOM 0 HA GLU A 103 3.099 9.010 6.814 1.00 41.05 H new ATOM 0 HB2 GLU A 103 0.732 9.320 7.527 1.00 40.01 H new ATOM 0 HB3 GLU A 103 0.248 7.937 6.565 1.00 40.01 H new ATOM 0 HG2 GLU A 103 0.375 7.290 8.913 1.00 14.32 H new ATOM 0 HG3 GLU A 103 1.612 6.438 8.009 1.00 14.32 H new ATOM 1761 N VAL A 104 4.122 6.960 5.812 1.00 64.52 N ATOM 1762 CA VAL A 104 4.783 5.769 5.231 1.00 31.14 C ATOM 1763 C VAL A 104 5.597 5.000 6.289 1.00 2.31 C ATOM 1764 O VAL A 104 6.328 5.588 7.094 1.00 1.20 O ATOM 1765 CB VAL A 104 5.694 6.155 4.004 1.00 2.33 C ATOM 1766 CG1 VAL A 104 6.640 7.315 4.339 1.00 65.25 C ATOM 1767 CG2 VAL A 104 6.483 4.936 3.456 1.00 22.53 C ATOM 0 H VAL A 104 4.756 7.569 6.329 1.00 64.52 H new ATOM 0 HA VAL A 104 3.993 5.110 4.871 1.00 31.14 H new ATOM 0 HB VAL A 104 5.023 6.491 3.214 1.00 2.33 H new ATOM 0 HG11 VAL A 104 7.250 7.550 3.467 1.00 65.25 H new ATOM 0 HG12 VAL A 104 6.056 8.191 4.620 1.00 65.25 H new ATOM 0 HG13 VAL A 104 7.287 7.029 5.168 1.00 65.25 H new ATOM 0 HG21 VAL A 104 7.097 5.250 2.612 1.00 22.53 H new ATOM 0 HG22 VAL A 104 7.124 4.535 4.241 1.00 22.53 H new ATOM 0 HG23 VAL A 104 5.783 4.166 3.130 1.00 22.53 H new ATOM 1777 N ARG A 105 5.456 3.670 6.269 1.00 73.30 N ATOM 1778 CA ARG A 105 6.157 2.749 7.169 1.00 34.11 C ATOM 1779 C ARG A 105 7.202 1.958 6.366 1.00 71.21 C ATOM 1780 O ARG A 105 6.938 1.567 5.225 1.00 60.44 O ATOM 1781 CB ARG A 105 5.138 1.794 7.826 1.00 34.04 C ATOM 1782 CG ARG A 105 4.015 2.471 8.655 1.00 24.13 C ATOM 1783 CD ARG A 105 4.508 3.150 9.945 1.00 4.22 C ATOM 1784 NE ARG A 105 5.218 4.406 9.676 1.00 50.10 N ATOM 1785 CZ ARG A 105 5.815 5.179 10.591 1.00 4.04 C ATOM 1786 NH1 ARG A 105 5.811 4.854 11.882 1.00 33.55 N ATOM 1787 NH2 ARG A 105 6.389 6.309 10.207 1.00 74.11 N ATOM 0 H ARG A 105 4.838 3.194 5.612 1.00 73.30 H new ATOM 0 HA ARG A 105 6.664 3.308 7.955 1.00 34.11 H new ATOM 0 HB2 ARG A 105 4.674 1.194 7.043 1.00 34.04 H new ATOM 0 HB3 ARG A 105 5.679 1.107 8.476 1.00 34.04 H new ATOM 0 HG2 ARG A 105 3.517 3.215 8.033 1.00 24.13 H new ATOM 0 HG3 ARG A 105 3.268 1.721 8.915 1.00 24.13 H new ATOM 0 HD2 ARG A 105 3.657 3.348 10.597 1.00 4.22 H new ATOM 0 HD3 ARG A 105 5.169 2.469 10.482 1.00 4.22 H new ATOM 0 HE ARG A 105 5.260 4.717 8.706 1.00 50.10 H new ATOM 0 HH11 ARG A 105 5.346 4.000 12.192 1.00 33.55 H new ATOM 0 HH12 ARG A 105 6.273 5.459 12.562 1.00 33.55 H new ATOM 0 HH21 ARG A 105 6.373 6.581 9.224 1.00 74.11 H new ATOM 0 HH22 ARG A 105 6.847 6.907 10.894 1.00 74.11 H new ATOM 1801 N LYS A 106 8.369 1.713 6.975 1.00 44.22 N ATOM 1802 CA LYS A 106 9.521 1.081 6.303 1.00 3.12 C ATOM 1803 C LYS A 106 10.039 -0.106 7.120 1.00 3.00 C ATOM 1804 O LYS A 106 10.274 0.030 8.327 1.00 72.33 O ATOM 1805 CB LYS A 106 10.646 2.127 6.100 1.00 4.41 C ATOM 1806 CG LYS A 106 11.934 1.583 5.440 1.00 62.53 C ATOM 1807 CD LYS A 106 12.965 2.690 5.129 1.00 52.12 C ATOM 1808 CE LYS A 106 13.499 3.414 6.381 1.00 73.52 C ATOM 1809 NZ LYS A 106 14.263 2.513 7.285 1.00 60.34 N ATOM 0 H LYS A 106 8.546 1.947 7.952 1.00 44.22 H new ATOM 0 HA LYS A 106 9.199 0.709 5.330 1.00 3.12 H new ATOM 0 HB2 LYS A 106 10.258 2.941 5.488 1.00 4.41 H new ATOM 0 HB3 LYS A 106 10.905 2.553 7.070 1.00 4.41 H new ATOM 0 HG2 LYS A 106 12.390 0.844 6.099 1.00 62.53 H new ATOM 0 HG3 LYS A 106 11.673 1.067 4.516 1.00 62.53 H new ATOM 0 HD2 LYS A 106 13.804 2.251 4.590 1.00 52.12 H new ATOM 0 HD3 LYS A 106 12.508 3.423 4.465 1.00 52.12 H new ATOM 0 HE2 LYS A 106 14.140 4.240 6.072 1.00 73.52 H new ATOM 0 HE3 LYS A 106 12.662 3.847 6.929 1.00 73.52 H new ATOM 0 HZ1 LYS A 106 14.627 3.058 8.092 1.00 60.34 H new ATOM 0 HZ2 LYS A 106 13.638 1.757 7.631 1.00 60.34 H new ATOM 0 HZ3 LYS A 106 15.059 2.092 6.764 1.00 60.34 H new ATOM 1823 N VAL A 107 10.230 -1.259 6.443 1.00 51.31 N ATOM 1824 CA VAL A 107 10.738 -2.510 7.050 1.00 63.03 C ATOM 1825 C VAL A 107 11.480 -3.350 5.980 1.00 73.32 C ATOM 1826 O VAL A 107 10.951 -3.578 4.895 1.00 72.11 O ATOM 1827 CB VAL A 107 9.574 -3.394 7.673 1.00 13.13 C ATOM 1828 CG1 VAL A 107 9.062 -2.832 9.013 1.00 12.33 C ATOM 1829 CG2 VAL A 107 8.405 -3.539 6.677 1.00 40.02 C ATOM 0 H VAL A 107 10.033 -1.349 5.446 1.00 51.31 H new ATOM 0 HA VAL A 107 11.415 -2.222 7.854 1.00 63.03 H new ATOM 0 HB VAL A 107 9.999 -4.378 7.873 1.00 13.13 H new ATOM 0 HG11 VAL A 107 8.268 -3.472 9.396 1.00 12.33 H new ATOM 0 HG12 VAL A 107 9.881 -2.801 9.731 1.00 12.33 H new ATOM 0 HG13 VAL A 107 8.674 -1.825 8.861 1.00 12.33 H new ATOM 0 HG21 VAL A 107 7.619 -4.148 7.124 1.00 40.02 H new ATOM 0 HG22 VAL A 107 8.007 -2.553 6.437 1.00 40.02 H new ATOM 0 HG23 VAL A 107 8.761 -4.019 5.765 1.00 40.02 H new ATOM 1839 N THR A 108 12.722 -3.768 6.279 1.00 42.23 N ATOM 1840 CA THR A 108 13.431 -4.787 5.477 1.00 43.03 C ATOM 1841 C THR A 108 12.752 -6.153 5.677 1.00 61.23 C ATOM 1842 O THR A 108 12.546 -6.923 4.731 1.00 61.03 O ATOM 1843 CB THR A 108 14.942 -4.908 5.885 1.00 5.03 C ATOM 1844 OG1 THR A 108 15.529 -3.612 5.958 1.00 53.13 O ATOM 1845 CG2 THR A 108 15.751 -5.773 4.889 1.00 74.50 C ATOM 0 H THR A 108 13.259 -3.416 7.072 1.00 42.23 H new ATOM 0 HA THR A 108 13.385 -4.478 4.433 1.00 43.03 H new ATOM 0 HB THR A 108 14.974 -5.397 6.859 1.00 5.03 H new ATOM 0 HG1 THR A 108 14.822 -2.936 6.024 1.00 53.13 H new ATOM 0 HG21 THR A 108 16.790 -5.827 5.214 1.00 74.50 H new ATOM 0 HG22 THR A 108 15.329 -6.778 4.854 1.00 74.50 H new ATOM 0 HG23 THR A 108 15.704 -5.325 3.896 1.00 74.50 H new ATOM 1853 N ASP A 109 12.366 -6.400 6.938 1.00 21.14 N ATOM 1854 CA ASP A 109 11.881 -7.699 7.394 1.00 34.35 C ATOM 1855 C ASP A 109 10.419 -7.907 6.957 1.00 75.24 C ATOM 1856 O ASP A 109 9.564 -7.030 7.148 1.00 75.24 O ATOM 1857 CB ASP A 109 12.028 -7.804 8.932 1.00 34.52 C ATOM 1858 CG ASP A 109 11.773 -9.222 9.469 1.00 33.02 C ATOM 1859 OD1 ASP A 109 10.598 -9.612 9.604 1.00 53.23 O ATOM 1860 OD2 ASP A 109 12.752 -9.954 9.746 1.00 54.32 O ATOM 0 H ASP A 109 12.384 -5.692 7.672 1.00 21.14 H new ATOM 0 HA ASP A 109 12.480 -8.487 6.938 1.00 34.35 H new ATOM 0 HB2 ASP A 109 13.032 -7.490 9.217 1.00 34.52 H new ATOM 0 HB3 ASP A 109 11.331 -7.112 9.405 1.00 34.52 H new ATOM 1865 N ASP A 110 10.178 -9.087 6.388 1.00 43.45 N ATOM 1866 CA ASP A 110 8.893 -9.490 5.799 1.00 45.30 C ATOM 1867 C ASP A 110 7.754 -9.608 6.840 1.00 41.13 C ATOM 1868 O ASP A 110 6.629 -9.160 6.578 1.00 75.33 O ATOM 1869 CB ASP A 110 9.069 -10.833 5.056 1.00 5.42 C ATOM 1870 CG ASP A 110 10.068 -10.756 3.892 1.00 25.05 C ATOM 1871 OD1 ASP A 110 9.656 -10.425 2.766 1.00 53.10 O ATOM 1872 OD2 ASP A 110 11.271 -11.030 4.096 1.00 24.30 O ATOM 0 H ASP A 110 10.890 -9.814 6.320 1.00 43.45 H new ATOM 0 HA ASP A 110 8.598 -8.703 5.105 1.00 45.30 H new ATOM 0 HB2 ASP A 110 9.404 -11.591 5.764 1.00 5.42 H new ATOM 0 HB3 ASP A 110 8.101 -11.159 4.674 1.00 5.42 H new ATOM 1877 N GLU A 111 8.031 -10.212 8.018 1.00 23.13 N ATOM 1878 CA GLU A 111 6.978 -10.431 9.040 1.00 2.42 C ATOM 1879 C GLU A 111 6.668 -9.119 9.778 1.00 72.02 C ATOM 1880 O GLU A 111 5.555 -8.932 10.278 1.00 62.33 O ATOM 1881 CB GLU A 111 7.347 -11.571 10.030 1.00 40.32 C ATOM 1882 CG GLU A 111 8.296 -11.193 11.185 1.00 13.24 C ATOM 1883 CD GLU A 111 8.632 -12.379 12.093 1.00 31.45 C ATOM 1884 OE1 GLU A 111 7.745 -12.824 12.847 1.00 74.05 O ATOM 1885 OE2 GLU A 111 9.770 -12.890 12.041 1.00 63.33 O ATOM 0 H GLU A 111 8.956 -10.551 8.283 1.00 23.13 H new ATOM 0 HA GLU A 111 6.076 -10.755 8.522 1.00 2.42 H new ATOM 0 HB2 GLU A 111 6.425 -11.963 10.459 1.00 40.32 H new ATOM 0 HB3 GLU A 111 7.804 -12.382 9.463 1.00 40.32 H new ATOM 0 HG2 GLU A 111 9.219 -10.786 10.772 1.00 13.24 H new ATOM 0 HG3 GLU A 111 7.838 -10.404 11.781 1.00 13.24 H new ATOM 1892 N GLU A 112 7.657 -8.206 9.825 1.00 72.00 N ATOM 1893 CA GLU A 112 7.466 -6.858 10.381 1.00 0.02 C ATOM 1894 C GLU A 112 6.564 -6.005 9.469 1.00 50.44 C ATOM 1895 O GLU A 112 5.932 -5.053 9.936 1.00 74.11 O ATOM 1896 CB GLU A 112 8.829 -6.164 10.628 1.00 3.41 C ATOM 1897 CG GLU A 112 9.669 -6.808 11.745 1.00 62.10 C ATOM 1898 CD GLU A 112 8.919 -6.901 13.087 1.00 25.52 C ATOM 1899 OE1 GLU A 112 8.555 -5.843 13.652 1.00 2.04 O ATOM 1900 OE2 GLU A 112 8.675 -8.026 13.578 1.00 43.04 O ATOM 0 H GLU A 112 8.601 -8.382 9.482 1.00 72.00 H new ATOM 0 HA GLU A 112 6.963 -6.959 11.343 1.00 0.02 H new ATOM 0 HB2 GLU A 112 9.404 -6.177 9.702 1.00 3.41 H new ATOM 0 HB3 GLU A 112 8.652 -5.118 10.878 1.00 3.41 H new ATOM 0 HG2 GLU A 112 9.971 -7.808 11.434 1.00 62.10 H new ATOM 0 HG3 GLU A 112 10.582 -6.229 11.885 1.00 62.10 H new ATOM 1907 N ALA A 113 6.514 -6.357 8.170 1.00 33.05 N ATOM 1908 CA ALA A 113 5.550 -5.772 7.228 1.00 34.14 C ATOM 1909 C ALA A 113 4.128 -6.237 7.558 1.00 71.11 C ATOM 1910 O ALA A 113 3.196 -5.434 7.534 1.00 13.21 O ATOM 1911 CB ALA A 113 5.925 -6.127 5.786 1.00 32.13 C ATOM 0 H ALA A 113 7.136 -7.048 7.750 1.00 33.05 H new ATOM 0 HA ALA A 113 5.582 -4.687 7.327 1.00 34.14 H new ATOM 0 HB1 ALA A 113 5.200 -5.685 5.102 1.00 32.13 H new ATOM 0 HB2 ALA A 113 6.918 -5.738 5.562 1.00 32.13 H new ATOM 0 HB3 ALA A 113 5.924 -7.210 5.666 1.00 32.13 H new ATOM 1917 N LEU A 114 3.993 -7.539 7.919 1.00 2.23 N ATOM 1918 CA LEU A 114 2.706 -8.139 8.326 1.00 31.24 C ATOM 1919 C LEU A 114 2.197 -7.485 9.619 1.00 35.40 C ATOM 1920 O LEU A 114 0.993 -7.284 9.778 1.00 21.42 O ATOM 1921 CB LEU A 114 2.852 -9.671 8.548 1.00 53.31 C ATOM 1922 CG LEU A 114 3.188 -10.523 7.289 1.00 12.14 C ATOM 1923 CD1 LEU A 114 3.384 -12.007 7.661 1.00 34.41 C ATOM 1924 CD2 LEU A 114 2.101 -10.360 6.212 1.00 3.30 C ATOM 0 H LEU A 114 4.773 -8.196 7.935 1.00 2.23 H new ATOM 0 HA LEU A 114 1.989 -7.966 7.524 1.00 31.24 H new ATOM 0 HB2 LEU A 114 3.633 -9.836 9.291 1.00 53.31 H new ATOM 0 HB3 LEU A 114 1.921 -10.045 8.975 1.00 53.31 H new ATOM 0 HG LEU A 114 4.128 -10.158 6.875 1.00 12.14 H new ATOM 0 HD11 LEU A 114 3.618 -12.579 6.763 1.00 34.41 H new ATOM 0 HD12 LEU A 114 4.204 -12.098 8.373 1.00 34.41 H new ATOM 0 HD13 LEU A 114 2.469 -12.394 8.110 1.00 34.41 H new ATOM 0 HD21 LEU A 114 2.357 -10.964 5.342 1.00 3.30 H new ATOM 0 HD22 LEU A 114 1.141 -10.688 6.611 1.00 3.30 H new ATOM 0 HD23 LEU A 114 2.034 -9.312 5.919 1.00 3.30 H new ATOM 1936 N LYS A 115 3.150 -7.156 10.528 1.00 74.22 N ATOM 1937 CA LYS A 115 2.858 -6.479 11.804 1.00 51.52 C ATOM 1938 C LYS A 115 2.156 -5.131 11.559 1.00 23.02 C ATOM 1939 O LYS A 115 1.204 -4.796 12.251 1.00 53.04 O ATOM 1940 CB LYS A 115 4.152 -6.265 12.644 1.00 41.11 C ATOM 1941 CG LYS A 115 3.925 -5.485 13.975 1.00 40.21 C ATOM 1942 CD LYS A 115 5.168 -5.375 14.896 1.00 33.31 C ATOM 1943 CE LYS A 115 5.512 -6.688 15.638 1.00 3.44 C ATOM 1944 NZ LYS A 115 6.076 -7.732 14.746 1.00 54.54 N ATOM 0 H LYS A 115 4.141 -7.356 10.391 1.00 74.22 H new ATOM 0 HA LYS A 115 2.189 -7.126 12.371 1.00 51.52 H new ATOM 0 HB2 LYS A 115 4.587 -7.237 12.875 1.00 41.11 H new ATOM 0 HB3 LYS A 115 4.880 -5.725 12.039 1.00 41.11 H new ATOM 0 HG2 LYS A 115 3.581 -4.479 13.734 1.00 40.21 H new ATOM 0 HG3 LYS A 115 3.123 -5.971 14.530 1.00 40.21 H new ATOM 0 HD2 LYS A 115 6.027 -5.071 14.297 1.00 33.31 H new ATOM 0 HD3 LYS A 115 4.996 -4.588 15.630 1.00 33.31 H new ATOM 0 HE2 LYS A 115 6.227 -6.473 16.432 1.00 3.44 H new ATOM 0 HE3 LYS A 115 4.612 -7.075 16.116 1.00 3.44 H new ATOM 0 HZ1 LYS A 115 6.891 -8.181 15.210 1.00 54.54 H new ATOM 0 HZ2 LYS A 115 5.350 -8.450 14.550 1.00 54.54 H new ATOM 0 HZ3 LYS A 115 6.382 -7.297 13.852 1.00 54.54 H new ATOM 1958 N ILE A 116 2.621 -4.397 10.540 1.00 13.40 N ATOM 1959 CA ILE A 116 2.090 -3.068 10.201 1.00 45.33 C ATOM 1960 C ILE A 116 0.780 -3.176 9.370 1.00 72.21 C ATOM 1961 O ILE A 116 -0.073 -2.287 9.449 1.00 44.50 O ATOM 1962 CB ILE A 116 3.185 -2.217 9.461 1.00 73.52 C ATOM 1963 CG1 ILE A 116 4.486 -2.141 10.334 1.00 12.31 C ATOM 1964 CG2 ILE A 116 2.663 -0.801 9.121 1.00 65.33 C ATOM 1965 CD1 ILE A 116 5.661 -1.425 9.686 1.00 73.31 C ATOM 0 H ILE A 116 3.375 -4.706 9.927 1.00 13.40 H new ATOM 0 HA ILE A 116 1.833 -2.552 11.126 1.00 45.33 H new ATOM 0 HB ILE A 116 3.424 -2.710 8.519 1.00 73.52 H new ATOM 0 HG12 ILE A 116 4.247 -1.638 11.271 1.00 12.31 H new ATOM 0 HG13 ILE A 116 4.794 -3.155 10.587 1.00 12.31 H new ATOM 0 HG21 ILE A 116 3.444 -0.238 8.610 1.00 65.33 H new ATOM 0 HG22 ILE A 116 1.790 -0.881 8.473 1.00 65.33 H new ATOM 0 HG23 ILE A 116 2.386 -0.285 10.040 1.00 65.33 H new ATOM 0 HD11 ILE A 116 6.510 -1.427 10.370 1.00 73.31 H new ATOM 0 HD12 ILE A 116 5.936 -1.938 8.764 1.00 73.31 H new ATOM 0 HD13 ILE A 116 5.380 -0.397 9.459 1.00 73.31 H new ATOM 1977 N VAL A 117 0.626 -4.278 8.595 1.00 11.55 N ATOM 1978 CA VAL A 117 -0.642 -4.595 7.885 1.00 3.40 C ATOM 1979 C VAL A 117 -1.791 -4.741 8.905 1.00 32.44 C ATOM 1980 O VAL A 117 -2.817 -4.055 8.793 1.00 53.44 O ATOM 1981 CB VAL A 117 -0.528 -5.910 7.004 1.00 71.24 C ATOM 1982 CG1 VAL A 117 -1.904 -6.359 6.442 1.00 12.22 C ATOM 1983 CG2 VAL A 117 0.483 -5.728 5.849 1.00 12.43 C ATOM 0 H VAL A 117 1.365 -4.965 8.444 1.00 11.55 H new ATOM 0 HA VAL A 117 -0.851 -3.768 7.206 1.00 3.40 H new ATOM 0 HB VAL A 117 -0.165 -6.696 7.666 1.00 71.24 H new ATOM 0 HG11 VAL A 117 -1.776 -7.262 5.846 1.00 12.22 H new ATOM 0 HG12 VAL A 117 -2.585 -6.563 7.268 1.00 12.22 H new ATOM 0 HG13 VAL A 117 -2.318 -5.567 5.817 1.00 12.22 H new ATOM 0 HG21 VAL A 117 0.537 -6.647 5.265 1.00 12.43 H new ATOM 0 HG22 VAL A 117 0.159 -4.909 5.207 1.00 12.43 H new ATOM 0 HG23 VAL A 117 1.467 -5.500 6.259 1.00 12.43 H new ATOM 1993 N ARG A 118 -1.585 -5.612 9.918 1.00 23.24 N ATOM 1994 CA ARG A 118 -2.586 -5.847 10.979 1.00 24.34 C ATOM 1995 C ARG A 118 -2.724 -4.614 11.904 1.00 51.43 C ATOM 1996 O ARG A 118 -3.830 -4.332 12.380 1.00 12.24 O ATOM 1997 CB ARG A 118 -2.278 -7.130 11.812 1.00 75.54 C ATOM 1998 CG ARG A 118 -0.823 -7.243 12.340 1.00 51.43 C ATOM 1999 CD ARG A 118 -0.704 -7.773 13.779 1.00 40.21 C ATOM 2000 NE ARG A 118 -1.289 -6.831 14.746 1.00 71.10 N ATOM 2001 CZ ARG A 118 -0.606 -5.931 15.475 1.00 35.22 C ATOM 2002 NH1 ARG A 118 0.723 -5.825 15.382 1.00 11.22 N ATOM 2003 NH2 ARG A 118 -1.272 -5.092 16.264 1.00 45.23 N ATOM 0 H ARG A 118 -0.733 -6.164 10.022 1.00 23.24 H new ATOM 0 HA ARG A 118 -3.540 -6.009 10.477 1.00 24.34 H new ATOM 0 HB2 ARG A 118 -2.959 -7.164 12.662 1.00 75.54 H new ATOM 0 HB3 ARG A 118 -2.493 -8.003 11.196 1.00 75.54 H new ATOM 0 HG2 ARG A 118 -0.260 -7.900 11.677 1.00 51.43 H new ATOM 0 HG3 ARG A 118 -0.354 -6.260 12.289 1.00 51.43 H new ATOM 0 HD2 ARG A 118 -1.208 -8.737 13.857 1.00 40.21 H new ATOM 0 HD3 ARG A 118 0.345 -7.941 14.021 1.00 40.21 H new ATOM 0 HE ARG A 118 -2.300 -6.863 14.875 1.00 71.10 H new ATOM 0 HH11 ARG A 118 1.240 -6.434 14.748 1.00 11.22 H new ATOM 0 HH12 ARG A 118 1.220 -5.135 15.945 1.00 11.22 H new ATOM 0 HH21 ARG A 118 -2.290 -5.136 16.311 1.00 45.23 H new ATOM 0 HH22 ARG A 118 -0.765 -4.405 16.822 1.00 45.23 H new ATOM 2017 N GLU A 119 -1.591 -3.907 12.182 1.00 2.32 N ATOM 2018 CA GLU A 119 -1.609 -2.631 12.939 1.00 45.13 C ATOM 2019 C GLU A 119 -2.578 -1.631 12.303 1.00 25.21 C ATOM 2020 O GLU A 119 -3.489 -1.188 12.979 1.00 53.22 O ATOM 2021 CB GLU A 119 -0.191 -1.984 13.090 1.00 10.23 C ATOM 2022 CG GLU A 119 0.622 -2.467 14.308 1.00 40.44 C ATOM 2023 CD GLU A 119 1.901 -1.647 14.521 1.00 62.54 C ATOM 2024 OE1 GLU A 119 1.800 -0.485 14.999 1.00 13.42 O ATOM 2025 OE2 GLU A 119 3.008 -2.146 14.211 1.00 2.24 O ATOM 0 H GLU A 119 -0.659 -4.203 11.892 1.00 2.32 H new ATOM 0 HA GLU A 119 -1.954 -2.881 13.942 1.00 45.13 H new ATOM 0 HB2 GLU A 119 0.383 -2.188 12.186 1.00 10.23 H new ATOM 0 HB3 GLU A 119 -0.307 -0.902 13.156 1.00 10.23 H new ATOM 0 HG2 GLU A 119 0.002 -2.406 15.202 1.00 40.44 H new ATOM 0 HG3 GLU A 119 0.885 -3.516 14.173 1.00 40.44 H new ATOM 2032 N PHE A 120 -2.404 -1.346 10.993 1.00 71.31 N ATOM 2033 CA PHE A 120 -3.189 -0.318 10.261 1.00 31.03 C ATOM 2034 C PHE A 120 -4.711 -0.477 10.483 1.00 4.42 C ATOM 2035 O PHE A 120 -5.439 0.504 10.563 1.00 51.31 O ATOM 2036 CB PHE A 120 -2.857 -0.376 8.740 1.00 70.50 C ATOM 2037 CG PHE A 120 -3.675 0.599 7.878 1.00 51.01 C ATOM 2038 CD1 PHE A 120 -3.301 1.939 7.762 1.00 41.11 C ATOM 2039 CD2 PHE A 120 -4.822 0.175 7.194 1.00 62.20 C ATOM 2040 CE1 PHE A 120 -4.047 2.817 7.000 1.00 33.55 C ATOM 2041 CE2 PHE A 120 -5.565 1.058 6.439 1.00 72.22 C ATOM 2042 CZ PHE A 120 -5.171 2.374 6.337 1.00 64.21 C ATOM 0 H PHE A 120 -1.715 -1.821 10.410 1.00 71.31 H new ATOM 0 HA PHE A 120 -2.904 0.656 10.659 1.00 31.03 H new ATOM 0 HB2 PHE A 120 -1.797 -0.163 8.603 1.00 70.50 H new ATOM 0 HB3 PHE A 120 -3.027 -1.391 8.381 1.00 70.50 H new ATOM 0 HD1 PHE A 120 -2.418 2.293 8.274 1.00 41.11 H new ATOM 0 HD2 PHE A 120 -5.129 -0.858 7.259 1.00 62.20 H new ATOM 0 HE1 PHE A 120 -3.749 3.852 6.924 1.00 33.55 H new ATOM 0 HE2 PHE A 120 -6.454 0.718 5.929 1.00 72.22 H new ATOM 0 HZ PHE A 120 -5.746 3.062 5.735 1.00 64.21 H new ATOM 2052 N MET A 121 -5.148 -1.724 10.613 1.00 64.20 N ATOM 2053 CA MET A 121 -6.567 -2.084 10.767 1.00 0.12 C ATOM 2054 C MET A 121 -7.186 -1.489 12.057 1.00 72.13 C ATOM 2055 O MET A 121 -8.351 -1.084 12.066 1.00 14.13 O ATOM 2056 CB MET A 121 -6.686 -3.618 10.781 1.00 53.34 C ATOM 2057 CG MET A 121 -5.966 -4.302 9.614 1.00 12.13 C ATOM 2058 SD MET A 121 -6.669 -3.892 8.012 1.00 22.34 S ATOM 2059 CE MET A 121 -5.651 -4.871 6.915 1.00 74.45 C ATOM 0 H MET A 121 -4.524 -2.531 10.615 1.00 64.20 H new ATOM 0 HA MET A 121 -7.122 -1.664 9.928 1.00 0.12 H new ATOM 0 HB2 MET A 121 -6.280 -3.997 11.719 1.00 53.34 H new ATOM 0 HB3 MET A 121 -7.741 -3.892 10.757 1.00 53.34 H new ATOM 0 HG2 MET A 121 -4.914 -4.016 9.626 1.00 12.13 H new ATOM 0 HG3 MET A 121 -6.004 -5.382 9.755 1.00 12.13 H new ATOM 0 HE1 MET A 121 -6.079 -4.858 5.913 1.00 74.45 H new ATOM 0 HE2 MET A 121 -4.644 -4.455 6.885 1.00 74.45 H new ATOM 0 HE3 MET A 121 -5.608 -5.898 7.278 1.00 74.45 H new ATOM 2069 N GLN A 122 -6.402 -1.475 13.146 1.00 34.35 N ATOM 2070 CA GLN A 122 -6.831 -0.919 14.454 1.00 0.22 C ATOM 2071 C GLN A 122 -6.253 0.495 14.704 1.00 25.32 C ATOM 2072 O GLN A 122 -6.840 1.290 15.447 1.00 55.45 O ATOM 2073 CB GLN A 122 -6.434 -1.899 15.591 1.00 73.22 C ATOM 2074 CG GLN A 122 -4.929 -2.259 15.665 1.00 52.15 C ATOM 2075 CD GLN A 122 -4.581 -3.337 16.702 1.00 1.31 C ATOM 2076 OE1 GLN A 122 -3.486 -3.337 17.269 1.00 24.43 O ATOM 2077 NE2 GLN A 122 -5.485 -4.289 16.930 1.00 2.34 N ATOM 0 H GLN A 122 -5.452 -1.847 13.152 1.00 34.35 H new ATOM 0 HA GLN A 122 -7.915 -0.810 14.439 1.00 0.22 H new ATOM 0 HB2 GLN A 122 -6.733 -1.463 16.544 1.00 73.22 H new ATOM 0 HB3 GLN A 122 -7.005 -2.820 15.469 1.00 73.22 H new ATOM 0 HG2 GLN A 122 -4.601 -2.599 14.683 1.00 52.15 H new ATOM 0 HG3 GLN A 122 -4.363 -1.356 15.895 1.00 52.15 H new ATOM 0 HE21 GLN A 122 -6.383 -4.265 16.448 1.00 2.34 H new ATOM 0 HE22 GLN A 122 -5.279 -5.041 17.587 1.00 2.34 H new ATOM 2086 N LYS A 123 -5.113 0.796 14.064 1.00 43.01 N ATOM 2087 CA LYS A 123 -4.328 2.022 14.318 1.00 13.00 C ATOM 2088 C LYS A 123 -4.785 3.174 13.417 1.00 65.44 C ATOM 2089 O LYS A 123 -4.577 4.332 13.778 1.00 35.15 O ATOM 2090 CB LYS A 123 -2.806 1.743 14.127 1.00 74.33 C ATOM 2091 CG LYS A 123 -2.216 0.702 15.119 1.00 72.33 C ATOM 2092 CD LYS A 123 -2.133 1.199 16.578 1.00 21.34 C ATOM 2093 CE LYS A 123 -0.990 2.206 16.794 1.00 20.21 C ATOM 2094 NZ LYS A 123 0.354 1.584 16.597 1.00 43.35 N ATOM 0 H LYS A 123 -4.704 0.194 13.350 1.00 43.01 H new ATOM 0 HA LYS A 123 -4.500 2.323 15.352 1.00 13.00 H new ATOM 0 HB2 LYS A 123 -2.638 1.393 13.109 1.00 74.33 H new ATOM 0 HB3 LYS A 123 -2.260 2.680 14.236 1.00 74.33 H new ATOM 0 HG2 LYS A 123 -2.827 -0.200 15.088 1.00 72.33 H new ATOM 0 HG3 LYS A 123 -1.217 0.422 14.784 1.00 72.33 H new ATOM 0 HD2 LYS A 123 -3.079 1.664 16.854 1.00 21.34 H new ATOM 0 HD3 LYS A 123 -1.991 0.346 17.241 1.00 21.34 H new ATOM 0 HE2 LYS A 123 -1.107 3.040 16.102 1.00 20.21 H new ATOM 0 HE3 LYS A 123 -1.055 2.616 17.802 1.00 20.21 H new ATOM 0 HZ1 LYS A 123 0.886 1.618 17.490 1.00 43.35 H new ATOM 0 HZ2 LYS A 123 0.238 0.594 16.300 1.00 43.35 H new ATOM 0 HZ3 LYS A 123 0.874 2.107 15.864 1.00 43.35 H new ATOM 2108 N ALA A 124 -5.405 2.858 12.247 1.00 50.02 N ATOM 2109 CA ALA A 124 -5.993 3.884 11.361 1.00 4.33 C ATOM 2110 C ALA A 124 -7.141 4.602 12.078 1.00 51.12 C ATOM 2111 O ALA A 124 -7.438 5.760 11.773 1.00 12.35 O ATOM 2112 CB ALA A 124 -6.450 3.312 10.010 1.00 45.42 C ATOM 0 H ALA A 124 -5.507 1.903 11.903 1.00 50.02 H new ATOM 0 HA ALA A 124 -5.209 4.606 11.133 1.00 4.33 H new ATOM 0 HB1 ALA A 124 -6.873 4.111 9.401 1.00 45.42 H new ATOM 0 HB2 ALA A 124 -5.596 2.875 9.492 1.00 45.42 H new ATOM 0 HB3 ALA A 124 -7.205 2.544 10.177 1.00 45.42 H new ATOM 2118 N GLY A 125 -7.781 3.886 13.034 1.00 74.55 N ATOM 2119 CA GLY A 125 -8.663 4.507 14.007 1.00 15.11 C ATOM 2120 C GLY A 125 -7.867 5.352 14.993 1.00 44.32 C ATOM 2121 O GLY A 125 -7.141 4.794 15.830 1.00 62.30 O ATOM 0 H GLY A 125 -7.691 2.875 13.138 1.00 74.55 H new ATOM 0 HA2 GLY A 125 -9.396 5.130 13.495 1.00 15.11 H new ATOM 0 HA3 GLY A 125 -9.218 3.738 14.545 1.00 15.11 H new ATOM 2125 N SER A 126 -8.000 6.693 14.867 1.00 3.22 N ATOM 2126 CA SER A 126 -7.231 7.693 15.634 1.00 44.14 C ATOM 2127 C SER A 126 -5.739 7.652 15.242 1.00 63.32 C ATOM 2128 O SER A 126 -4.847 7.872 16.080 1.00 71.35 O ATOM 2129 CB SER A 126 -7.457 7.519 17.158 1.00 14.15 C ATOM 2130 OG SER A 126 -8.837 7.599 17.468 1.00 10.33 O ATOM 0 H SER A 126 -8.660 7.116 14.214 1.00 3.22 H new ATOM 0 HA SER A 126 -7.597 8.688 15.379 1.00 44.14 H new ATOM 0 HB2 SER A 126 -7.061 6.557 17.483 1.00 14.15 H new ATOM 0 HB3 SER A 126 -6.911 8.289 17.703 1.00 14.15 H new ATOM 0 HG SER A 126 -8.963 7.485 18.433 1.00 10.33 H new ATOM 2136 N LEU A 127 -5.495 7.402 13.932 1.00 54.22 N ATOM 2137 CA LEU A 127 -4.142 7.423 13.329 1.00 51.21 C ATOM 2138 C LEU A 127 -3.522 8.821 13.426 1.00 11.21 C ATOM 2139 O LEU A 127 -4.251 9.824 13.420 1.00 41.03 O ATOM 2140 CB LEU A 127 -4.191 6.980 11.840 1.00 22.43 C ATOM 2141 CG LEU A 127 -2.811 6.707 11.137 1.00 61.25 C ATOM 2142 CD1 LEU A 127 -2.004 5.616 11.879 1.00 41.42 C ATOM 2143 CD2 LEU A 127 -3.014 6.338 9.653 1.00 22.43 C ATOM 0 H LEU A 127 -6.233 7.180 13.264 1.00 54.22 H new ATOM 0 HA LEU A 127 -3.523 6.721 13.888 1.00 51.21 H new ATOM 0 HB2 LEU A 127 -4.791 6.072 11.775 1.00 22.43 H new ATOM 0 HB3 LEU A 127 -4.715 7.750 11.273 1.00 22.43 H new ATOM 0 HG LEU A 127 -2.229 7.628 11.179 1.00 61.25 H new ATOM 0 HD11 LEU A 127 -1.056 5.453 11.366 1.00 41.42 H new ATOM 0 HD12 LEU A 127 -1.812 5.938 12.902 1.00 41.42 H new ATOM 0 HD13 LEU A 127 -2.574 4.687 11.892 1.00 41.42 H new ATOM 0 HD21 LEU A 127 -2.045 6.154 9.188 1.00 22.43 H new ATOM 0 HD22 LEU A 127 -3.627 5.440 9.582 1.00 22.43 H new ATOM 0 HD23 LEU A 127 -3.513 7.159 9.139 1.00 22.43 H new ATOM 2155 N GLU A 128 -2.173 8.867 13.574 1.00 13.44 N ATOM 2156 CA GLU A 128 -1.362 10.110 13.593 1.00 74.13 C ATOM 2157 C GLU A 128 -1.499 10.884 14.924 1.00 14.22 C ATOM 2158 O GLU A 128 -0.642 11.715 15.244 1.00 40.15 O ATOM 2159 CB GLU A 128 -1.672 11.006 12.363 1.00 41.31 C ATOM 2160 CG GLU A 128 -1.340 10.342 11.005 1.00 55.42 C ATOM 2161 CD GLU A 128 -1.955 11.092 9.824 1.00 62.20 C ATOM 2162 OE1 GLU A 128 -3.132 10.850 9.512 1.00 4.44 O ATOM 2163 OE2 GLU A 128 -1.294 11.952 9.230 1.00 23.45 O ATOM 0 H GLU A 128 -1.609 8.025 13.686 1.00 13.44 H new ATOM 0 HA GLU A 128 -0.317 9.809 13.523 1.00 74.13 H new ATOM 0 HB2 GLU A 128 -2.729 11.273 12.377 1.00 41.31 H new ATOM 0 HB3 GLU A 128 -1.107 11.934 12.450 1.00 41.31 H new ATOM 0 HG2 GLU A 128 -0.258 10.298 10.880 1.00 55.42 H new ATOM 0 HG3 GLU A 128 -1.703 9.314 11.008 1.00 55.42 H new ATOM 2170 N HIS A 129 -2.588 10.625 15.681 1.00 21.33 N ATOM 2171 CA HIS A 129 -2.728 11.062 17.080 1.00 4.32 C ATOM 2172 C HIS A 129 -1.706 10.282 17.924 1.00 3.50 C ATOM 2173 O HIS A 129 -1.014 10.842 18.780 1.00 55.12 O ATOM 2174 CB HIS A 129 -4.173 10.798 17.608 1.00 43.51 C ATOM 2175 CG HIS A 129 -5.292 11.424 16.813 1.00 32.01 C ATOM 2176 ND1 HIS A 129 -6.618 11.244 17.138 1.00 21.14 N ATOM 2177 CD2 HIS A 129 -5.288 12.216 15.709 1.00 12.34 C ATOM 2178 CE1 HIS A 129 -7.371 11.889 16.275 1.00 73.11 C ATOM 2179 NE2 HIS A 129 -6.592 12.488 15.400 1.00 34.32 N ATOM 0 H HIS A 129 -3.394 10.105 15.334 1.00 21.33 H new ATOM 0 HA HIS A 129 -2.545 12.134 17.150 1.00 4.32 H new ATOM 0 HB2 HIS A 129 -4.335 9.721 17.640 1.00 43.51 H new ATOM 0 HB3 HIS A 129 -4.236 11.161 18.634 1.00 43.51 H new ATOM 0 HD2 HIS A 129 -4.417 12.566 15.175 1.00 12.34 H new ATOM 0 HE1 HIS A 129 -8.450 11.922 16.283 1.00 73.11 H new ATOM 0 HE2 HIS A 129 -6.909 13.062 14.619 1.00 34.32 H new ATOM 2188 N HIS A 130 -1.630 8.966 17.641 1.00 50.14 N ATOM 2189 CA HIS A 130 -0.611 8.064 18.191 1.00 53.45 C ATOM 2190 C HIS A 130 0.449 7.799 17.105 1.00 44.43 C ATOM 2191 O HIS A 130 0.304 6.882 16.284 1.00 64.33 O ATOM 2192 CB HIS A 130 -1.257 6.738 18.681 1.00 1.12 C ATOM 2193 CG HIS A 130 -2.303 6.926 19.751 1.00 11.24 C ATOM 2194 ND1 HIS A 130 -1.991 7.126 21.079 1.00 52.22 N ATOM 2195 CD2 HIS A 130 -3.654 6.956 19.680 1.00 40.23 C ATOM 2196 CE1 HIS A 130 -3.101 7.271 21.773 1.00 44.14 C ATOM 2197 NE2 HIS A 130 -4.121 7.169 20.948 1.00 14.35 N ATOM 0 H HIS A 130 -2.286 8.498 17.015 1.00 50.14 H new ATOM 0 HA HIS A 130 -0.134 8.528 19.055 1.00 53.45 H new ATOM 0 HB2 HIS A 130 -1.710 6.230 17.830 1.00 1.12 H new ATOM 0 HB3 HIS A 130 -0.474 6.083 19.063 1.00 1.12 H new ATOM 0 HD2 HIS A 130 -4.252 6.834 18.789 1.00 40.23 H new ATOM 0 HE1 HIS A 130 -3.163 7.444 22.837 1.00 44.14 H new ATOM 0 HE2 HIS A 130 -5.104 7.238 21.212 1.00 14.35 H new ATOM 2206 N HIS A 131 1.469 8.667 17.072 1.00 1.25 N ATOM 2207 CA HIS A 131 2.581 8.603 16.101 1.00 0.21 C ATOM 2208 C HIS A 131 3.780 9.386 16.680 1.00 21.23 C ATOM 2209 O HIS A 131 3.644 10.091 17.685 1.00 41.45 O ATOM 2210 CB HIS A 131 2.121 9.173 14.716 1.00 10.11 C ATOM 2211 CG HIS A 131 3.114 9.009 13.590 1.00 74.01 C ATOM 2212 ND1 HIS A 131 3.803 10.062 13.026 1.00 32.11 N ATOM 2213 CD2 HIS A 131 3.524 7.904 12.927 1.00 11.11 C ATOM 2214 CE1 HIS A 131 4.593 9.608 12.072 1.00 52.45 C ATOM 2215 NE2 HIS A 131 4.442 8.300 11.986 1.00 65.44 N ATOM 0 H HIS A 131 1.550 9.446 17.726 1.00 1.25 H new ATOM 0 HA HIS A 131 2.886 7.570 15.934 1.00 0.21 H new ATOM 0 HB2 HIS A 131 1.189 8.684 14.431 1.00 10.11 H new ATOM 0 HB3 HIS A 131 1.901 10.234 14.833 1.00 10.11 H new ATOM 0 HD1 HIS A 131 3.715 11.040 13.303 1.00 32.11 H new ATOM 0 HD2 HIS A 131 3.190 6.893 13.105 1.00 11.11 H new ATOM 0 HE1 HIS A 131 5.253 10.207 11.463 1.00 52.45 H new ATOM 2224 N HIS A 132 4.955 9.245 16.064 1.00 41.11 N ATOM 2225 CA HIS A 132 6.185 9.935 16.497 1.00 54.14 C ATOM 2226 C HIS A 132 6.957 10.438 15.271 1.00 42.34 C ATOM 2227 O HIS A 132 6.961 9.784 14.225 1.00 5.32 O ATOM 2228 CB HIS A 132 7.054 8.991 17.378 1.00 42.25 C ATOM 2229 CG HIS A 132 7.420 7.665 16.734 1.00 2.10 C ATOM 2230 ND1 HIS A 132 8.704 7.324 16.355 1.00 3.22 N ATOM 2231 CD2 HIS A 132 6.656 6.584 16.442 1.00 34.33 C ATOM 2232 CE1 HIS A 132 8.703 6.099 15.859 1.00 62.10 C ATOM 2233 NE2 HIS A 132 7.476 5.637 15.904 1.00 44.00 N ATOM 0 H HIS A 132 5.087 8.648 15.247 1.00 41.11 H new ATOM 0 HA HIS A 132 5.921 10.799 17.107 1.00 54.14 H new ATOM 0 HB2 HIS A 132 7.973 9.513 17.646 1.00 42.25 H new ATOM 0 HB3 HIS A 132 6.519 8.791 18.306 1.00 42.25 H new ATOM 0 HD2 HIS A 132 5.593 6.490 16.606 1.00 34.33 H new ATOM 0 HE1 HIS A 132 9.565 5.569 15.481 1.00 62.10 H new ATOM 0 HE2 HIS A 132 7.182 4.714 15.586 1.00 44.00 H new ATOM 2242 N HIS A 133 7.596 11.604 15.421 1.00 50.15 N ATOM 2243 CA HIS A 133 8.296 12.302 14.324 1.00 50.42 C ATOM 2244 C HIS A 133 9.374 13.236 14.917 1.00 61.30 C ATOM 2245 O HIS A 133 9.777 13.063 16.075 1.00 41.25 O ATOM 2246 CB HIS A 133 7.277 13.087 13.441 1.00 43.44 C ATOM 2247 CG HIS A 133 6.556 14.212 14.153 1.00 61.54 C ATOM 2248 ND1 HIS A 133 6.902 15.539 14.011 1.00 1.32 N ATOM 2249 CD2 HIS A 133 5.500 14.196 14.999 1.00 32.20 C ATOM 2250 CE1 HIS A 133 6.093 16.281 14.738 1.00 22.31 C ATOM 2251 NE2 HIS A 133 5.234 15.490 15.345 1.00 40.34 N ATOM 0 H HIS A 133 7.645 12.098 16.312 1.00 50.15 H new ATOM 0 HA HIS A 133 8.789 11.573 13.680 1.00 50.42 H new ATOM 0 HB2 HIS A 133 7.805 13.499 12.581 1.00 43.44 H new ATOM 0 HB3 HIS A 133 6.537 12.386 13.055 1.00 43.44 H new ATOM 0 HD2 HIS A 133 4.966 13.321 15.338 1.00 32.20 H new ATOM 0 HE1 HIS A 133 6.128 17.357 14.822 1.00 22.31 H new ATOM 0 HE2 HIS A 133 4.490 15.794 15.973 1.00 40.34 H new ATOM 2260 N HIS A 134 9.868 14.185 14.103 1.00 1.03 N ATOM 2261 CA HIS A 134 10.794 15.236 14.550 1.00 53.51 C ATOM 2262 C HIS A 134 10.245 16.614 14.088 1.00 44.11 C ATOM 2263 O HIS A 134 10.602 17.097 12.994 1.00 32.20 O ATOM 2264 CB HIS A 134 12.224 14.947 14.022 1.00 1.03 C ATOM 2265 CG HIS A 134 13.264 15.924 14.496 1.00 73.10 C ATOM 2266 ND1 HIS A 134 13.942 16.766 13.646 1.00 31.31 N ATOM 2267 CD2 HIS A 134 13.745 16.181 15.737 1.00 31.34 C ATOM 2268 CE1 HIS A 134 14.791 17.492 14.338 1.00 71.52 C ATOM 2269 NE2 HIS A 134 14.691 17.162 15.610 1.00 14.45 N ATOM 2270 OXT HIS A 134 9.410 17.186 14.807 1.00 37.31 O ATOM 0 H HIS A 134 9.634 14.243 13.112 1.00 1.03 H new ATOM 0 HA HIS A 134 10.865 15.252 15.638 1.00 53.51 H new ATOM 0 HB2 HIS A 134 12.517 13.943 14.330 1.00 1.03 H new ATOM 0 HB3 HIS A 134 12.205 14.953 12.932 1.00 1.03 H new ATOM 0 HD2 HIS A 134 13.439 15.701 16.655 1.00 31.34 H new ATOM 0 HE1 HIS A 134 15.460 18.236 13.932 1.00 71.52 H new ATOM 0 HE2 HIS A 134 15.230 17.570 16.374 1.00 14.45 H new TER 2279 HIS A 134