USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 904 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 Single : A 1 ASP N :NH3+ -110:sc= 0.00905 (180deg=0) USER MOD Single : A 5 SER OG : rot -67:sc= 1.28 USER MOD Single : A 6 SER OG : rot 40:sc= 0.95 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.824 K(o=-0.82,f=0) USER MOD Single : A 13 MET CE :methyl -160:sc= -0.159 (180deg=-0.631) USER MOD Single : A 20 CYS SG : rot -31:sc= -4.11! USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= 1.27 (180deg=1.19) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 10:sc= 0.414 USER MOD Single : A 29 ASN : amide:sc= 0.276 K(o=0.28,f=-5!) USER MOD Single : A 30 MET CE :methyl -163:sc= -0.132 (180deg=-0.632) USER MOD Single : A 37 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1) USER MOD Single : A 42 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.9!) USER MOD Single : A 43 MET CE :methyl 150:sc= -0.367 (180deg=-1.31!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 54 MET CE :methyl 179:sc= -1.58 (180deg=-1.6) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 66 SER OG : rot -14:sc= 0.504 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 76 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.021) USER MOD Single : A 86 THR OG1 : rot 52:sc= 0.5 USER MOD Single : A 87 SER OG : rot 60:sc= 1.19 USER MOD Single : A 88 MET CE :methyl -164:sc= -0.107 (180deg=-0.547) USER MOD Single : A 91 GLN : amide:sc= -2.55! C(o=-2.5!,f=-4.3!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 94 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.24) USER MOD Single : A 97 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.053) USER MOD Single : A 102 THR OG1 : rot 150:sc= -1.03! USER MOD Single : A 103 ASN : amide:sc= -0.0253 K(o=-0.025,f=-0.87) USER MOD Single : A 104 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.95) USER MOD Single : A 105 ASN : amide:sc= 0.881 K(o=0.88,f=-6!) USER MOD Single : A 115 SER OG : rot 72:sc= 0.579 USER MOD Single : A 116 HIS : no HE2:sc= 1.18 K(o=1.2,f=-5.8!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -43.489 8.285 0.418 1.00 6.24 N ATOM 2 CA ASP A 1 -43.504 6.827 0.657 1.00 6.09 C ATOM 3 C ASP A 1 -42.361 6.166 -0.087 1.00 5.57 C ATOM 4 O ASP A 1 -42.100 6.493 -1.243 1.00 5.48 O ATOM 5 CB ASP A 1 -44.838 6.216 0.227 1.00 6.38 C ATOM 6 CG ASP A 1 -45.960 6.567 1.179 1.00 6.83 C ATOM 7 OD1 ASP A 1 -46.591 7.628 1.000 1.00 7.16 O ATOM 8 OD2 ASP A 1 -46.204 5.793 2.127 1.00 7.06 O ATOM 0 H1 ASP A 1 -43.212 8.777 1.291 1.00 6.24 H new ATOM 0 H2 ASP A 1 -42.807 8.506 -0.336 1.00 6.24 H new ATOM 0 H3 ASP A 1 -44.438 8.599 0.130 1.00 6.24 H new ATOM 0 HA ASP A 1 -43.380 6.654 1.726 1.00 6.09 H new ATOM 0 HB2 ASP A 1 -45.090 6.566 -0.774 1.00 6.38 H new ATOM 0 HB3 ASP A 1 -44.738 5.132 0.170 1.00 6.38 H new ATOM 15 N ILE A 2 -41.695 5.227 0.580 1.00 5.46 N ATOM 16 CA ILE A 2 -40.488 4.602 0.057 1.00 4.94 C ATOM 17 C ILE A 2 -39.395 5.652 -0.120 1.00 4.60 C ATOM 18 O ILE A 2 -39.255 6.253 -1.188 1.00 4.72 O ATOM 19 CB ILE A 2 -40.727 3.864 -1.281 1.00 4.98 C ATOM 20 CG1 ILE A 2 -41.915 2.907 -1.161 1.00 5.40 C ATOM 21 CG2 ILE A 2 -39.473 3.096 -1.676 1.00 4.52 C ATOM 22 CD1 ILE A 2 -42.218 2.160 -2.443 1.00 5.69 C ATOM 0 H ILE A 2 -41.978 4.880 1.496 1.00 5.46 H new ATOM 0 HA ILE A 2 -40.176 3.853 0.785 1.00 4.94 H new ATOM 0 HB ILE A 2 -40.954 4.600 -2.052 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -41.713 2.186 -0.369 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -42.798 3.472 -0.861 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -39.646 2.578 -2.619 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -38.642 3.791 -1.791 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -39.233 2.368 -0.901 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -43.071 1.500 -2.286 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -42.452 2.873 -3.233 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -41.350 1.568 -2.733 1.00 5.69 H new ATOM 34 N ASP A 3 -38.660 5.894 0.958 1.00 4.29 N ATOM 35 CA ASP A 3 -37.563 6.857 0.960 1.00 4.07 C ATOM 36 C ASP A 3 -36.416 6.358 0.083 1.00 3.76 C ATOM 37 O ASP A 3 -35.461 5.745 0.565 1.00 3.50 O ATOM 38 CB ASP A 3 -37.079 7.081 2.398 1.00 3.99 C ATOM 39 CG ASP A 3 -36.110 8.240 2.525 1.00 4.25 C ATOM 40 OD1 ASP A 3 -35.008 8.174 1.947 1.00 4.60 O ATOM 41 OD2 ASP A 3 -36.444 9.221 3.218 1.00 4.39 O ATOM 0 H ASP A 3 -38.806 5.430 1.855 1.00 4.29 H new ATOM 0 HA ASP A 3 -37.918 7.804 0.552 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -37.940 7.263 3.041 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -36.598 6.172 2.759 1.00 3.99 H new ATOM 46 N GLU A 4 -36.539 6.594 -1.213 1.00 3.88 N ATOM 47 CA GLU A 4 -35.529 6.175 -2.168 1.00 3.72 C ATOM 48 C GLU A 4 -34.270 7.024 -2.075 1.00 3.64 C ATOM 49 O GLU A 4 -33.250 6.684 -2.670 1.00 3.58 O ATOM 50 CB GLU A 4 -36.086 6.184 -3.590 1.00 4.04 C ATOM 51 CG GLU A 4 -37.073 5.059 -3.839 1.00 4.23 C ATOM 52 CD GLU A 4 -37.550 5.002 -5.275 1.00 4.68 C ATOM 53 OE1 GLU A 4 -36.728 4.708 -6.167 1.00 4.67 O ATOM 54 OE2 GLU A 4 -38.754 5.238 -5.523 1.00 5.13 O ATOM 0 H GLU A 4 -37.335 7.077 -1.629 1.00 3.88 H new ATOM 0 HA GLU A 4 -35.250 5.153 -1.914 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -36.575 7.140 -3.778 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -35.262 6.103 -4.299 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -36.607 4.109 -3.578 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -37.933 5.184 -3.180 1.00 4.23 H new ATOM 61 N SER A 5 -34.322 8.125 -1.341 1.00 3.76 N ATOM 62 CA SER A 5 -33.125 8.923 -1.139 1.00 3.85 C ATOM 63 C SER A 5 -32.119 8.103 -0.336 1.00 3.61 C ATOM 64 O SER A 5 -30.911 8.205 -0.537 1.00 3.72 O ATOM 65 CB SER A 5 -33.445 10.246 -0.430 1.00 4.10 C ATOM 66 OG SER A 5 -33.622 10.074 0.963 1.00 4.17 O ATOM 0 H SER A 5 -35.162 8.480 -0.884 1.00 3.76 H new ATOM 0 HA SER A 5 -32.699 9.179 -2.109 1.00 3.85 H new ATOM 0 HB2 SER A 5 -32.638 10.956 -0.607 1.00 4.10 H new ATOM 0 HB3 SER A 5 -34.349 10.677 -0.859 1.00 4.10 H new ATOM 0 HG SER A 5 -34.430 9.544 1.127 1.00 4.17 H new ATOM 72 N SER A 6 -32.651 7.259 0.546 1.00 3.37 N ATOM 73 CA SER A 6 -31.841 6.352 1.352 1.00 3.21 C ATOM 74 C SER A 6 -31.028 5.398 0.475 1.00 3.07 C ATOM 75 O SER A 6 -29.797 5.322 0.593 1.00 3.14 O ATOM 76 CB SER A 6 -32.746 5.552 2.283 1.00 3.12 C ATOM 77 OG SER A 6 -33.510 6.412 3.108 1.00 3.42 O ATOM 0 H SER A 6 -33.653 7.186 0.721 1.00 3.37 H new ATOM 0 HA SER A 6 -31.141 6.949 1.936 1.00 3.21 H new ATOM 0 HB2 SER A 6 -33.411 4.920 1.695 1.00 3.12 H new ATOM 0 HB3 SER A 6 -32.142 4.889 2.903 1.00 3.12 H new ATOM 0 HG SER A 6 -33.808 7.186 2.586 1.00 3.42 H new ATOM 83 N VAL A 7 -31.705 4.695 -0.435 1.00 2.98 N ATOM 84 CA VAL A 7 -31.020 3.756 -1.309 1.00 2.91 C ATOM 85 C VAL A 7 -30.029 4.486 -2.199 1.00 3.12 C ATOM 86 O VAL A 7 -28.934 3.997 -2.452 1.00 3.14 O ATOM 87 CB VAL A 7 -31.991 2.912 -2.170 1.00 2.96 C ATOM 88 CG1 VAL A 7 -32.970 3.773 -2.944 1.00 3.24 C ATOM 89 CG2 VAL A 7 -31.217 2.023 -3.123 1.00 2.98 C ATOM 0 H VAL A 7 -32.712 4.760 -0.581 1.00 2.98 H new ATOM 0 HA VAL A 7 -30.486 3.060 -0.661 1.00 2.91 H new ATOM 0 HB VAL A 7 -32.570 2.293 -1.484 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -33.629 3.135 -3.532 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -33.564 4.365 -2.247 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -32.421 4.439 -3.610 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -31.914 1.436 -3.721 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -30.605 2.640 -3.781 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -30.574 1.352 -2.554 1.00 2.98 H new ATOM 99 N MET A 8 -30.415 5.670 -2.645 1.00 3.37 N ATOM 100 CA MET A 8 -29.535 6.506 -3.444 1.00 3.71 C ATOM 101 C MET A 8 -28.288 6.913 -2.659 1.00 3.85 C ATOM 102 O MET A 8 -27.237 7.129 -3.244 1.00 4.12 O ATOM 103 CB MET A 8 -30.272 7.741 -3.954 1.00 4.00 C ATOM 104 CG MET A 8 -31.377 7.411 -4.945 1.00 4.07 C ATOM 105 SD MET A 8 -32.151 8.878 -5.649 1.00 4.46 S ATOM 106 CE MET A 8 -33.349 8.125 -6.748 1.00 5.17 C ATOM 0 H MET A 8 -31.334 6.074 -2.467 1.00 3.37 H new ATOM 0 HA MET A 8 -29.214 5.917 -4.303 1.00 3.71 H new ATOM 0 HB2 MET A 8 -30.700 8.276 -3.107 1.00 4.00 H new ATOM 0 HB3 MET A 8 -29.557 8.414 -4.428 1.00 4.00 H new ATOM 0 HG2 MET A 8 -30.966 6.802 -5.750 1.00 4.07 H new ATOM 0 HG3 MET A 8 -32.137 6.809 -4.447 1.00 4.07 H new ATOM 0 HE1 MET A 8 -33.912 8.904 -7.261 1.00 5.17 H new ATOM 0 HE2 MET A 8 -32.831 7.508 -7.482 1.00 5.17 H new ATOM 0 HE3 MET A 8 -34.033 7.504 -6.170 1.00 5.17 H new ATOM 116 N GLN A 9 -28.397 6.998 -1.335 1.00 3.77 N ATOM 117 CA GLN A 9 -27.235 7.313 -0.504 1.00 4.01 C ATOM 118 C GLN A 9 -26.201 6.194 -0.586 1.00 3.96 C ATOM 119 O GLN A 9 -25.010 6.458 -0.771 1.00 4.33 O ATOM 120 CB GLN A 9 -27.633 7.553 0.954 1.00 4.00 C ATOM 121 CG GLN A 9 -28.490 8.791 1.161 1.00 4.36 C ATOM 122 CD GLN A 9 -28.789 9.066 2.622 1.00 4.96 C ATOM 123 OE1 GLN A 9 -28.979 10.212 3.019 1.00 5.38 O ATOM 124 NE2 GLN A 9 -28.817 8.022 3.434 1.00 5.37 N ATOM 0 H GLN A 9 -29.265 6.856 -0.819 1.00 3.77 H new ATOM 0 HA GLN A 9 -26.797 8.234 -0.889 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -28.176 6.682 1.321 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -26.730 7.643 1.557 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -27.982 9.654 0.731 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -29.429 8.671 0.620 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -28.654 7.085 3.066 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -29.001 8.154 4.428 1.00 5.37 H new ATOM 133 N LEU A 10 -26.655 4.947 -0.455 1.00 3.56 N ATOM 134 CA LEU A 10 -25.753 3.795 -0.603 1.00 3.52 C ATOM 135 C LEU A 10 -25.284 3.705 -2.042 1.00 3.65 C ATOM 136 O LEU A 10 -24.121 3.425 -2.328 1.00 3.90 O ATOM 137 CB LEU A 10 -26.428 2.461 -0.237 1.00 3.15 C ATOM 138 CG LEU A 10 -27.858 2.529 0.286 1.00 3.03 C ATOM 139 CD1 LEU A 10 -28.441 1.132 0.342 1.00 2.85 C ATOM 140 CD2 LEU A 10 -27.891 3.165 1.662 1.00 3.23 C ATOM 0 H LEU A 10 -27.625 4.707 -0.250 1.00 3.56 H new ATOM 0 HA LEU A 10 -24.920 3.955 0.082 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -26.421 1.824 -1.121 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -25.815 1.967 0.517 1.00 3.15 H new ATOM 0 HG LEU A 10 -28.454 3.143 -0.389 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -29.464 1.179 0.716 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -28.440 0.697 -0.657 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -27.840 0.513 1.008 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -28.920 3.205 2.020 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -27.290 2.572 2.351 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -27.487 4.176 1.605 1.00 3.23 H new ATOM 152 N ALA A 11 -26.222 3.958 -2.931 1.00 3.56 N ATOM 153 CA ALA A 11 -25.996 3.856 -4.371 1.00 3.74 C ATOM 154 C ALA A 11 -24.937 4.836 -4.868 1.00 4.22 C ATOM 155 O ALA A 11 -24.039 4.458 -5.617 1.00 4.46 O ATOM 156 CB ALA A 11 -27.305 4.074 -5.116 1.00 3.71 C ATOM 0 H ALA A 11 -27.169 4.242 -2.681 1.00 3.56 H new ATOM 0 HA ALA A 11 -25.620 2.853 -4.571 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -27.130 3.997 -6.189 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -28.028 3.317 -4.811 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -27.696 5.064 -4.882 1.00 3.71 H new ATOM 162 N GLU A 12 -25.045 6.092 -4.455 1.00 4.41 N ATOM 163 CA GLU A 12 -24.104 7.127 -4.885 1.00 4.92 C ATOM 164 C GLU A 12 -22.685 6.863 -4.385 1.00 5.14 C ATOM 165 O GLU A 12 -21.714 7.282 -5.014 1.00 5.60 O ATOM 166 CB GLU A 12 -24.557 8.506 -4.412 1.00 5.13 C ATOM 167 CG GLU A 12 -25.774 9.041 -5.147 1.00 5.27 C ATOM 168 CD GLU A 12 -25.573 9.078 -6.648 1.00 5.79 C ATOM 169 OE1 GLU A 12 -24.781 9.912 -7.128 1.00 6.27 O ATOM 170 OE2 GLU A 12 -26.221 8.284 -7.359 1.00 5.95 O ATOM 0 H GLU A 12 -25.774 6.422 -3.823 1.00 4.41 H new ATOM 0 HA GLU A 12 -24.091 7.100 -5.975 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -24.781 8.458 -3.346 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -23.733 9.209 -4.534 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -26.638 8.419 -4.914 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -25.999 10.046 -4.789 1.00 5.27 H new ATOM 177 N MET A 13 -22.565 6.176 -3.259 1.00 4.88 N ATOM 178 CA MET A 13 -21.260 5.927 -2.664 1.00 5.14 C ATOM 179 C MET A 13 -20.756 4.529 -3.002 1.00 4.89 C ATOM 180 O MET A 13 -19.681 4.125 -2.557 1.00 5.03 O ATOM 181 CB MET A 13 -21.316 6.112 -1.146 1.00 5.20 C ATOM 182 CG MET A 13 -22.100 5.031 -0.424 1.00 4.86 C ATOM 183 SD MET A 13 -22.163 5.280 1.363 1.00 5.10 S ATOM 184 CE MET A 13 -20.422 5.234 1.784 1.00 5.16 C ATOM 0 H MET A 13 -23.351 5.783 -2.741 1.00 4.88 H new ATOM 0 HA MET A 13 -20.562 6.652 -3.083 1.00 5.14 H new ATOM 0 HB2 MET A 13 -20.299 6.133 -0.754 1.00 5.20 H new ATOM 0 HB3 MET A 13 -21.763 7.081 -0.924 1.00 5.20 H new ATOM 0 HG2 MET A 13 -23.116 5.003 -0.817 1.00 4.86 H new ATOM 0 HG3 MET A 13 -21.649 4.061 -0.635 1.00 4.86 H new ATOM 0 HE1 MET A 13 -20.310 5.018 2.846 1.00 5.16 H new ATOM 0 HE2 MET A 13 -19.927 4.457 1.201 1.00 5.16 H new ATOM 0 HE3 MET A 13 -19.968 6.199 1.561 1.00 5.16 H new ATOM 194 N GLY A 14 -21.526 3.794 -3.788 1.00 4.62 N ATOM 195 CA GLY A 14 -21.144 2.442 -4.130 1.00 4.51 C ATOM 196 C GLY A 14 -21.962 1.870 -5.269 1.00 4.38 C ATOM 197 O GLY A 14 -21.917 2.372 -6.390 1.00 4.75 O ATOM 0 H GLY A 14 -22.407 4.109 -4.194 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -20.089 2.426 -4.403 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -21.256 1.805 -3.253 1.00 4.51 H new ATOM 201 N PHE A 15 -22.719 0.823 -4.977 1.00 4.09 N ATOM 202 CA PHE A 15 -23.506 0.132 -5.992 1.00 4.04 C ATOM 203 C PHE A 15 -24.972 0.544 -5.911 1.00 3.73 C ATOM 204 O PHE A 15 -25.452 0.957 -4.856 1.00 3.48 O ATOM 205 CB PHE A 15 -23.398 -1.386 -5.805 1.00 4.10 C ATOM 206 CG PHE A 15 -22.019 -1.940 -6.016 1.00 4.27 C ATOM 207 CD1 PHE A 15 -21.579 -2.279 -7.284 1.00 4.60 C ATOM 208 CD2 PHE A 15 -21.159 -2.108 -4.946 1.00 4.36 C ATOM 209 CE1 PHE A 15 -20.304 -2.778 -7.480 1.00 5.01 C ATOM 210 CE2 PHE A 15 -19.883 -2.603 -5.134 1.00 4.78 C ATOM 211 CZ PHE A 15 -19.478 -2.993 -6.409 1.00 5.09 C ATOM 0 H PHE A 15 -22.806 0.430 -4.040 1.00 4.09 H new ATOM 0 HA PHE A 15 -23.112 0.408 -6.970 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -23.728 -1.640 -4.798 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -24.083 -1.875 -6.498 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -22.239 -2.152 -8.130 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -21.489 -1.849 -3.951 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -19.959 -2.998 -8.479 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -19.204 -2.687 -4.298 1.00 4.78 H new ATOM 0 HZ PHE A 15 -18.516 -3.463 -6.552 1.00 5.09 H new ATOM 221 N PRO A 16 -25.700 0.441 -7.031 1.00 3.83 N ATOM 222 CA PRO A 16 -27.142 0.701 -7.067 1.00 3.69 C ATOM 223 C PRO A 16 -27.927 -0.404 -6.363 1.00 3.43 C ATOM 224 O PRO A 16 -28.380 -1.366 -6.989 1.00 3.52 O ATOM 225 CB PRO A 16 -27.455 0.728 -8.563 1.00 4.05 C ATOM 226 CG PRO A 16 -26.418 -0.149 -9.172 1.00 4.25 C ATOM 227 CD PRO A 16 -25.174 0.067 -8.358 1.00 4.22 C ATOM 0 HA PRO A 16 -27.418 1.622 -6.553 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -28.459 0.356 -8.766 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -27.403 1.741 -8.962 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -26.726 -1.194 -9.147 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -26.251 0.110 -10.218 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -24.563 -0.834 -8.310 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -24.548 0.854 -8.780 1.00 4.22 H new ATOM 235 N LEU A 17 -28.067 -0.273 -5.052 1.00 3.19 N ATOM 236 CA LEU A 17 -28.723 -1.287 -4.243 1.00 3.02 C ATOM 237 C LEU A 17 -30.249 -1.210 -4.349 1.00 3.04 C ATOM 238 O LEU A 17 -30.931 -0.862 -3.386 1.00 2.93 O ATOM 239 CB LEU A 17 -28.288 -1.159 -2.771 1.00 2.86 C ATOM 240 CG LEU A 17 -27.079 -2.000 -2.355 1.00 2.99 C ATOM 241 CD1 LEU A 17 -27.262 -3.453 -2.775 1.00 3.21 C ATOM 242 CD2 LEU A 17 -25.801 -1.427 -2.933 1.00 3.29 C ATOM 0 H LEU A 17 -27.732 0.532 -4.524 1.00 3.19 H new ATOM 0 HA LEU A 17 -28.416 -2.259 -4.629 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -28.064 -0.112 -2.568 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -29.132 -1.433 -2.138 1.00 2.86 H new ATOM 0 HG LEU A 17 -27.001 -1.970 -1.268 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -26.391 -4.033 -2.469 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -28.154 -3.860 -2.299 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -27.372 -3.508 -3.858 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -24.955 -2.041 -2.624 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -25.865 -1.419 -4.021 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -25.662 -0.409 -2.570 1.00 3.29 H new ATOM 254 N GLU A 18 -30.798 -1.544 -5.518 1.00 3.30 N ATOM 255 CA GLU A 18 -32.243 -1.613 -5.681 1.00 3.51 C ATOM 256 C GLU A 18 -32.862 -2.557 -4.656 1.00 3.51 C ATOM 257 O GLU A 18 -34.035 -2.421 -4.304 1.00 3.70 O ATOM 258 CB GLU A 18 -32.626 -2.074 -7.075 1.00 3.90 C ATOM 259 CG GLU A 18 -34.016 -1.615 -7.450 1.00 4.24 C ATOM 260 CD GLU A 18 -34.558 -2.300 -8.681 1.00 4.90 C ATOM 261 OE1 GLU A 18 -34.720 -3.537 -8.648 1.00 5.48 O ATOM 262 OE2 GLU A 18 -34.811 -1.610 -9.690 1.00 5.09 O ATOM 0 H GLU A 18 -30.265 -1.769 -6.358 1.00 3.30 H new ATOM 0 HA GLU A 18 -32.628 -0.605 -5.526 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -31.907 -1.687 -7.797 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -32.575 -3.162 -7.126 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -34.690 -1.799 -6.613 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -34.003 -0.538 -7.618 1.00 4.24 H new ATOM 269 N ALA A 19 -32.069 -3.510 -4.181 1.00 3.41 N ATOM 270 CA ALA A 19 -32.500 -4.401 -3.113 1.00 3.49 C ATOM 271 C ALA A 19 -32.891 -3.588 -1.891 1.00 3.32 C ATOM 272 O ALA A 19 -33.788 -3.960 -1.144 1.00 3.54 O ATOM 273 CB ALA A 19 -31.395 -5.382 -2.759 1.00 3.45 C ATOM 0 H ALA A 19 -31.123 -3.685 -4.520 1.00 3.41 H new ATOM 0 HA ALA A 19 -33.365 -4.968 -3.457 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -31.735 -6.040 -1.959 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -31.143 -5.978 -3.636 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -30.514 -4.833 -2.427 1.00 3.45 H new ATOM 279 N CYS A 20 -32.217 -2.460 -1.717 1.00 3.03 N ATOM 280 CA CYS A 20 -32.533 -1.530 -0.643 1.00 2.94 C ATOM 281 C CYS A 20 -33.819 -0.792 -0.965 1.00 3.13 C ATOM 282 O CYS A 20 -34.636 -0.561 -0.087 1.00 3.27 O ATOM 283 CB CYS A 20 -31.410 -0.516 -0.430 1.00 2.73 C ATOM 284 SG CYS A 20 -31.597 0.483 1.067 1.00 2.75 S ATOM 0 H CYS A 20 -31.442 -2.166 -2.311 1.00 3.03 H new ATOM 0 HA CYS A 20 -32.651 -2.108 0.274 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -30.459 -1.046 -0.384 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -31.364 0.147 -1.294 1.00 2.73 H new ATOM 0 HG CYS A 20 -32.861 0.652 1.321 1.00 2.75 H new ATOM 290 N ARG A 21 -33.993 -0.417 -2.230 1.00 3.24 N ATOM 291 CA ARG A 21 -35.236 0.226 -2.666 1.00 3.55 C ATOM 292 C ARG A 21 -36.451 -0.621 -2.273 1.00 3.89 C ATOM 293 O ARG A 21 -37.370 -0.144 -1.599 1.00 4.07 O ATOM 294 CB ARG A 21 -35.217 0.475 -4.182 1.00 3.75 C ATOM 295 CG ARG A 21 -36.603 0.640 -4.789 1.00 4.17 C ATOM 296 CD ARG A 21 -36.603 1.572 -5.989 1.00 4.74 C ATOM 297 NE ARG A 21 -35.868 1.024 -7.125 1.00 5.08 N ATOM 298 CZ ARG A 21 -35.261 1.771 -8.048 1.00 5.56 C ATOM 299 NH1 ARG A 21 -35.303 3.103 -7.973 1.00 5.80 N ATOM 300 NH2 ARG A 21 -34.617 1.186 -9.054 1.00 6.10 N ATOM 0 H ARG A 21 -33.299 -0.544 -2.966 1.00 3.24 H new ATOM 0 HA ARG A 21 -35.314 1.190 -2.163 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -34.630 1.370 -4.388 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -34.711 -0.357 -4.672 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -36.983 -0.336 -5.091 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -37.285 1.027 -4.032 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -37.632 1.772 -6.289 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -36.163 2.527 -5.703 1.00 4.74 H new ATOM 0 HE ARG A 21 -35.816 0.010 -7.218 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -35.801 3.555 -7.207 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -34.837 3.669 -8.682 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -34.588 0.168 -9.118 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -34.152 1.755 -9.761 1.00 6.10 H new ATOM 314 N LYS A 22 -36.432 -1.887 -2.661 1.00 4.03 N ATOM 315 CA LYS A 22 -37.526 -2.791 -2.337 1.00 4.43 C ATOM 316 C LYS A 22 -37.511 -3.147 -0.852 1.00 4.38 C ATOM 317 O LYS A 22 -38.534 -3.527 -0.287 1.00 4.73 O ATOM 318 CB LYS A 22 -37.469 -4.039 -3.224 1.00 4.63 C ATOM 319 CG LYS A 22 -36.167 -4.819 -3.125 1.00 4.60 C ATOM 320 CD LYS A 22 -35.909 -5.618 -4.391 1.00 4.73 C ATOM 321 CE LYS A 22 -35.578 -4.703 -5.562 1.00 4.49 C ATOM 322 NZ LYS A 22 -35.460 -5.442 -6.846 1.00 4.77 N ATOM 0 H LYS A 22 -35.675 -2.311 -3.198 1.00 4.03 H new ATOM 0 HA LYS A 22 -38.471 -2.286 -2.539 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -38.295 -4.698 -2.957 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -37.622 -3.741 -4.261 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -35.340 -4.131 -2.951 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -36.207 -5.492 -2.269 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -35.085 -6.312 -4.224 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -36.787 -6.217 -4.631 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -36.353 -3.942 -5.654 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -34.642 -4.182 -5.359 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -34.933 -4.864 -7.532 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -34.955 -6.337 -6.686 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -36.410 -5.643 -7.220 1.00 4.77 H new ATOM 336 N ALA A 23 -36.346 -3.014 -0.228 1.00 4.00 N ATOM 337 CA ALA A 23 -36.211 -3.196 1.211 1.00 4.00 C ATOM 338 C ALA A 23 -36.897 -2.070 1.962 1.00 4.05 C ATOM 339 O ALA A 23 -37.535 -2.291 2.980 1.00 4.34 O ATOM 340 CB ALA A 23 -34.753 -3.241 1.613 1.00 3.66 C ATOM 0 H ALA A 23 -35.474 -2.779 -0.702 1.00 4.00 H new ATOM 0 HA ALA A 23 -36.685 -4.143 1.468 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -34.677 -3.378 2.692 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -34.261 -4.072 1.107 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -34.269 -2.306 1.331 1.00 3.66 H new ATOM 346 N VAL A 24 -36.735 -0.853 1.463 1.00 3.82 N ATOM 347 CA VAL A 24 -37.399 0.305 2.043 1.00 3.90 C ATOM 348 C VAL A 24 -38.908 0.107 2.027 1.00 4.37 C ATOM 349 O VAL A 24 -39.592 0.406 3.004 1.00 4.58 O ATOM 350 CB VAL A 24 -37.038 1.610 1.292 1.00 3.69 C ATOM 351 CG1 VAL A 24 -37.865 2.782 1.797 1.00 3.86 C ATOM 352 CG2 VAL A 24 -35.557 1.921 1.430 1.00 3.33 C ATOM 0 H VAL A 24 -36.148 -0.642 0.656 1.00 3.82 H new ATOM 0 HA VAL A 24 -37.051 0.400 3.072 1.00 3.90 H new ATOM 0 HB VAL A 24 -37.268 1.456 0.238 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -37.589 3.684 1.251 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -38.924 2.574 1.642 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -37.676 2.929 2.860 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -35.327 2.842 0.894 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -35.307 2.042 2.484 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -34.973 1.102 1.011 1.00 3.33 H new ATOM 362 N TYR A 25 -39.425 -0.417 0.927 1.00 4.58 N ATOM 363 CA TYR A 25 -40.843 -0.735 0.852 1.00 5.10 C ATOM 364 C TYR A 25 -41.179 -1.898 1.791 1.00 5.36 C ATOM 365 O TYR A 25 -42.217 -1.894 2.448 1.00 5.71 O ATOM 366 CB TYR A 25 -41.249 -1.071 -0.587 1.00 5.32 C ATOM 367 CG TYR A 25 -42.734 -1.284 -0.756 1.00 5.87 C ATOM 368 CD1 TYR A 25 -43.647 -0.285 -0.444 1.00 6.18 C ATOM 369 CD2 TYR A 25 -43.221 -2.495 -1.223 1.00 6.12 C ATOM 370 CE1 TYR A 25 -45.004 -0.491 -0.595 1.00 6.71 C ATOM 371 CE2 TYR A 25 -44.573 -2.710 -1.376 1.00 6.65 C ATOM 372 CZ TYR A 25 -45.467 -1.647 -1.072 1.00 6.94 C ATOM 373 OH TYR A 25 -46.810 -1.919 -1.212 1.00 7.48 O ATOM 0 H TYR A 25 -38.892 -0.629 0.083 1.00 4.58 H new ATOM 0 HA TYR A 25 -41.408 0.141 1.169 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -40.928 -0.264 -1.245 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -40.722 -1.970 -0.905 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -43.291 0.667 -0.078 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -42.527 -3.285 -1.472 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -45.697 0.292 -0.324 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -44.945 -3.664 -1.719 1.00 6.65 H new ATOM 0 HH TYR A 25 -46.925 -2.820 -1.580 1.00 7.48 H new ATOM 383 N PHE A 26 -40.278 -2.876 1.868 1.00 5.24 N ATOM 384 CA PHE A 26 -40.471 -4.050 2.718 1.00 5.55 C ATOM 385 C PHE A 26 -40.432 -3.678 4.203 1.00 5.56 C ATOM 386 O PHE A 26 -41.179 -4.230 5.009 1.00 5.98 O ATOM 387 CB PHE A 26 -39.392 -5.098 2.409 1.00 5.42 C ATOM 388 CG PHE A 26 -39.500 -6.352 3.234 1.00 5.81 C ATOM 389 CD1 PHE A 26 -40.396 -7.351 2.883 1.00 6.32 C ATOM 390 CD2 PHE A 26 -38.709 -6.531 4.357 1.00 5.81 C ATOM 391 CE1 PHE A 26 -40.500 -8.505 3.635 1.00 6.79 C ATOM 392 CE2 PHE A 26 -38.808 -7.683 5.114 1.00 6.37 C ATOM 393 CZ PHE A 26 -39.705 -8.672 4.753 1.00 6.84 C ATOM 0 H PHE A 26 -39.401 -2.878 1.348 1.00 5.24 H new ATOM 0 HA PHE A 26 -41.456 -4.466 2.504 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -39.451 -5.364 1.354 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -38.411 -4.652 2.571 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -41.020 -7.225 2.011 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -38.007 -5.762 4.644 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -41.201 -9.275 3.350 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -38.185 -7.811 5.987 1.00 6.37 H new ATOM 0 HZ PHE A 26 -39.784 -9.573 5.344 1.00 6.84 H new ATOM 403 N THR A 27 -39.556 -2.743 4.558 1.00 5.14 N ATOM 404 CA THR A 27 -39.394 -2.329 5.945 1.00 5.20 C ATOM 405 C THR A 27 -40.592 -1.515 6.427 1.00 5.47 C ATOM 406 O THR A 27 -40.811 -1.364 7.630 1.00 5.71 O ATOM 407 CB THR A 27 -38.108 -1.497 6.154 1.00 4.75 C ATOM 408 OG1 THR A 27 -38.025 -0.462 5.169 1.00 4.44 O ATOM 409 CG2 THR A 27 -36.872 -2.373 6.069 1.00 4.59 C ATOM 0 H THR A 27 -38.946 -2.257 3.901 1.00 5.14 H new ATOM 0 HA THR A 27 -39.319 -3.246 6.529 1.00 5.20 H new ATOM 0 HB THR A 27 -38.154 -1.053 7.149 1.00 4.75 H new ATOM 0 HG1 THR A 27 -38.873 -0.407 4.681 1.00 4.44 H new ATOM 0 HG21 THR A 27 -35.982 -1.762 6.220 1.00 4.59 H new ATOM 0 HG22 THR A 27 -36.918 -3.143 6.839 1.00 4.59 H new ATOM 0 HG23 THR A 27 -36.827 -2.844 5.087 1.00 4.59 H new ATOM 417 N GLY A 28 -41.373 -1.008 5.482 1.00 5.48 N ATOM 418 CA GLY A 28 -42.486 -0.147 5.821 1.00 5.75 C ATOM 419 C GLY A 28 -42.101 1.313 5.741 1.00 5.44 C ATOM 420 O GLY A 28 -42.729 2.164 6.372 1.00 5.64 O ATOM 0 H GLY A 28 -41.254 -1.179 4.484 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -43.318 -0.343 5.145 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -42.833 -0.378 6.828 1.00 5.75 H new ATOM 424 N ASN A 29 -41.065 1.589 4.949 1.00 5.01 N ATOM 425 CA ASN A 29 -40.535 2.938 4.776 1.00 4.73 C ATOM 426 C ASN A 29 -39.990 3.466 6.101 1.00 4.74 C ATOM 427 O ASN A 29 -40.425 4.498 6.612 1.00 4.97 O ATOM 428 CB ASN A 29 -41.605 3.883 4.208 1.00 4.95 C ATOM 429 CG ASN A 29 -41.036 5.232 3.818 1.00 4.86 C ATOM 430 OD1 ASN A 29 -39.871 5.342 3.446 1.00 4.99 O ATOM 431 ND2 ASN A 29 -41.861 6.262 3.890 1.00 5.06 N ATOM 0 H ASN A 29 -40.569 0.880 4.409 1.00 5.01 H new ATOM 0 HA ASN A 29 -39.716 2.895 4.058 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -42.068 3.421 3.336 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -42.392 4.024 4.949 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -41.537 7.194 3.631 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -42.822 6.125 4.205 1.00 5.06 H new ATOM 438 N MET A 30 -39.024 2.743 6.649 1.00 4.58 N ATOM 439 CA MET A 30 -38.459 3.082 7.946 1.00 4.71 C ATOM 440 C MET A 30 -37.298 4.061 7.818 1.00 4.46 C ATOM 441 O MET A 30 -36.826 4.609 8.814 1.00 4.65 O ATOM 442 CB MET A 30 -38.004 1.815 8.667 1.00 4.89 C ATOM 443 CG MET A 30 -39.147 0.913 9.098 1.00 5.35 C ATOM 444 SD MET A 30 -40.334 1.755 10.164 1.00 5.80 S ATOM 445 CE MET A 30 -39.261 2.325 11.483 1.00 6.28 C ATOM 0 H MET A 30 -38.615 1.916 6.214 1.00 4.58 H new ATOM 0 HA MET A 30 -39.239 3.570 8.531 1.00 4.71 H new ATOM 0 HB2 MET A 30 -37.338 1.254 8.011 1.00 4.89 H new ATOM 0 HB3 MET A 30 -37.424 2.096 9.546 1.00 4.89 H new ATOM 0 HG2 MET A 30 -39.662 0.538 8.213 1.00 5.35 H new ATOM 0 HG3 MET A 30 -38.743 0.047 9.623 1.00 5.35 H new ATOM 0 HE1 MET A 30 -39.863 2.591 12.352 1.00 6.28 H new ATOM 0 HE2 MET A 30 -38.564 1.532 11.753 1.00 6.28 H new ATOM 0 HE3 MET A 30 -38.703 3.199 11.146 1.00 6.28 H new ATOM 455 N GLY A 31 -36.820 4.267 6.599 1.00 4.17 N ATOM 456 CA GLY A 31 -35.786 5.253 6.378 1.00 4.03 C ATOM 457 C GLY A 31 -34.439 4.644 6.039 1.00 3.77 C ATOM 458 O GLY A 31 -34.321 3.426 5.876 1.00 3.68 O ATOM 0 H GLY A 31 -37.129 3.771 5.763 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -36.092 5.915 5.568 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -35.684 5.869 7.271 1.00 4.03 H new ATOM 462 N ALA A 32 -33.430 5.506 5.957 1.00 3.73 N ATOM 463 CA ALA A 32 -32.086 5.124 5.535 1.00 3.58 C ATOM 464 C ALA A 32 -31.476 4.051 6.423 1.00 3.72 C ATOM 465 O ALA A 32 -31.081 2.994 5.942 1.00 3.56 O ATOM 466 CB ALA A 32 -31.182 6.348 5.515 1.00 3.73 C ATOM 0 H ALA A 32 -33.522 6.496 6.183 1.00 3.73 H new ATOM 0 HA ALA A 32 -32.173 4.704 4.533 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -30.181 6.056 5.199 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -31.582 7.084 4.818 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -31.135 6.782 6.514 1.00 3.73 H new ATOM 472 N GLU A 33 -31.420 4.325 7.718 1.00 4.10 N ATOM 473 CA GLU A 33 -30.675 3.486 8.652 1.00 4.38 C ATOM 474 C GLU A 33 -31.250 2.076 8.743 1.00 4.28 C ATOM 475 O GLU A 33 -30.508 1.094 8.716 1.00 4.30 O ATOM 476 CB GLU A 33 -30.658 4.142 10.030 1.00 4.91 C ATOM 477 CG GLU A 33 -30.078 5.546 10.017 1.00 5.11 C ATOM 478 CD GLU A 33 -30.006 6.156 11.397 1.00 5.12 C ATOM 479 OE1 GLU A 33 -31.042 6.651 11.887 1.00 5.46 O ATOM 480 OE2 GLU A 33 -28.913 6.146 12.003 1.00 5.09 O ATOM 0 H GLU A 33 -31.883 5.125 8.150 1.00 4.10 H new ATOM 0 HA GLU A 33 -29.656 3.393 8.277 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -31.675 4.180 10.420 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -30.077 3.522 10.713 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -29.078 5.518 9.583 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -30.687 6.181 9.374 1.00 5.11 H new ATOM 487 N VAL A 34 -32.566 1.976 8.838 1.00 4.27 N ATOM 488 CA VAL A 34 -33.216 0.679 8.969 1.00 4.34 C ATOM 489 C VAL A 34 -33.015 -0.167 7.711 1.00 4.01 C ATOM 490 O VAL A 34 -32.725 -1.361 7.795 1.00 4.11 O ATOM 491 CB VAL A 34 -34.721 0.831 9.265 1.00 4.54 C ATOM 492 CG1 VAL A 34 -35.401 -0.528 9.334 1.00 4.83 C ATOM 493 CG2 VAL A 34 -34.934 1.599 10.562 1.00 4.88 C ATOM 0 H VAL A 34 -33.204 2.772 8.827 1.00 4.27 H new ATOM 0 HA VAL A 34 -32.749 0.169 9.812 1.00 4.34 H new ATOM 0 HB VAL A 34 -35.172 1.395 8.449 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -36.462 -0.394 9.544 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -35.282 -1.043 8.381 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -34.947 -1.122 10.127 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -36.002 1.697 10.756 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -34.464 1.061 11.385 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -34.488 2.590 10.475 1.00 4.88 H new ATOM 503 N ALA A 35 -33.143 0.451 6.544 1.00 3.68 N ATOM 504 CA ALA A 35 -32.960 -0.276 5.297 1.00 3.42 C ATOM 505 C ALA A 35 -31.481 -0.498 5.001 1.00 3.28 C ATOM 506 O ALA A 35 -31.118 -1.431 4.286 1.00 3.21 O ATOM 507 CB ALA A 35 -33.641 0.426 4.142 1.00 3.22 C ATOM 0 H ALA A 35 -33.370 1.440 6.436 1.00 3.68 H new ATOM 0 HA ALA A 35 -33.431 -1.252 5.417 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -33.484 -0.144 3.226 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -34.710 0.504 4.343 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -33.220 1.425 4.024 1.00 3.22 H new ATOM 513 N PHE A 36 -30.631 0.369 5.541 1.00 3.36 N ATOM 514 CA PHE A 36 -29.192 0.154 5.491 1.00 3.45 C ATOM 515 C PHE A 36 -28.858 -1.137 6.228 1.00 3.68 C ATOM 516 O PHE A 36 -28.034 -1.929 5.776 1.00 3.69 O ATOM 517 CB PHE A 36 -28.443 1.338 6.110 1.00 3.70 C ATOM 518 CG PHE A 36 -26.956 1.134 6.208 1.00 3.98 C ATOM 519 CD1 PHE A 36 -26.142 1.315 5.103 1.00 3.93 C ATOM 520 CD2 PHE A 36 -26.374 0.763 7.412 1.00 4.38 C ATOM 521 CE1 PHE A 36 -24.776 1.128 5.193 1.00 4.29 C ATOM 522 CE2 PHE A 36 -25.009 0.575 7.509 1.00 4.71 C ATOM 523 CZ PHE A 36 -24.210 0.759 6.398 1.00 4.66 C ATOM 0 H PHE A 36 -30.914 1.225 6.017 1.00 3.36 H new ATOM 0 HA PHE A 36 -28.876 0.071 4.451 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -28.639 2.230 5.516 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -28.841 1.526 7.107 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -26.580 1.606 4.160 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -26.996 0.620 8.283 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -24.152 1.270 4.323 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -24.568 0.285 8.451 1.00 4.71 H new ATOM 0 HZ PHE A 36 -23.142 0.614 6.471 1.00 4.66 H new ATOM 533 N ASN A 37 -29.531 -1.350 7.358 1.00 3.94 N ATOM 534 CA ASN A 37 -29.399 -2.592 8.106 1.00 4.25 C ATOM 535 C ASN A 37 -29.836 -3.771 7.249 1.00 4.16 C ATOM 536 O ASN A 37 -29.151 -4.792 7.180 1.00 4.35 O ATOM 537 CB ASN A 37 -30.237 -2.544 9.390 1.00 4.57 C ATOM 538 CG ASN A 37 -29.656 -1.626 10.449 1.00 5.25 C ATOM 539 OD1 ASN A 37 -28.442 -1.456 10.544 1.00 5.69 O ATOM 540 ND2 ASN A 37 -30.523 -1.040 11.265 1.00 5.66 N ATOM 0 H ASN A 37 -30.173 -0.675 7.773 1.00 3.94 H new ATOM 0 HA ASN A 37 -28.351 -2.716 8.378 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -31.246 -2.213 9.145 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -30.322 -3.551 9.798 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -30.190 -0.422 12.005 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -31.523 -1.208 11.152 1.00 5.66 H new ATOM 547 N TRP A 38 -30.968 -3.619 6.570 1.00 3.97 N ATOM 548 CA TRP A 38 -31.481 -4.677 5.714 1.00 4.01 C ATOM 549 C TRP A 38 -30.477 -4.990 4.607 1.00 3.81 C ATOM 550 O TRP A 38 -30.227 -6.154 4.285 1.00 4.02 O ATOM 551 CB TRP A 38 -32.829 -4.277 5.098 1.00 3.96 C ATOM 552 CG TRP A 38 -33.573 -5.440 4.512 1.00 4.29 C ATOM 553 CD1 TRP A 38 -34.528 -6.191 5.133 1.00 4.58 C ATOM 554 CD2 TRP A 38 -33.421 -5.994 3.196 1.00 4.67 C ATOM 555 NE1 TRP A 38 -34.979 -7.173 4.286 1.00 4.88 N ATOM 556 CE2 TRP A 38 -34.321 -7.071 3.091 1.00 4.93 C ATOM 557 CE3 TRP A 38 -32.617 -5.681 2.094 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -34.435 -7.835 1.934 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -32.734 -6.440 0.946 1.00 5.81 C ATOM 560 CH2 TRP A 38 -33.639 -7.505 0.873 1.00 5.87 C ATOM 0 H TRP A 38 -31.544 -2.777 6.597 1.00 3.97 H new ATOM 0 HA TRP A 38 -31.631 -5.567 6.325 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -33.446 -3.806 5.863 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -32.660 -3.532 4.321 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -34.878 -6.036 6.143 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -35.691 -7.868 4.512 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -31.917 -4.860 2.140 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -35.129 -8.661 1.876 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -32.117 -6.208 0.091 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -33.710 -8.078 -0.040 1.00 5.87 H new ATOM 571 N ILE A 39 -29.882 -3.945 4.045 1.00 3.49 N ATOM 572 CA ILE A 39 -29.003 -4.104 2.902 1.00 3.34 C ATOM 573 C ILE A 39 -27.672 -4.726 3.304 1.00 3.60 C ATOM 574 O ILE A 39 -27.114 -5.516 2.559 1.00 3.69 O ATOM 575 CB ILE A 39 -28.774 -2.767 2.152 1.00 3.04 C ATOM 576 CG1 ILE A 39 -28.549 -3.043 0.670 1.00 2.98 C ATOM 577 CG2 ILE A 39 -27.593 -1.978 2.710 1.00 3.21 C ATOM 578 CD1 ILE A 39 -29.673 -3.823 0.027 1.00 3.10 C ATOM 0 H ILE A 39 -29.994 -2.983 4.364 1.00 3.49 H new ATOM 0 HA ILE A 39 -29.505 -4.785 2.215 1.00 3.34 H new ATOM 0 HB ILE A 39 -29.667 -2.159 2.294 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -28.428 -2.095 0.146 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -27.617 -3.595 0.548 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -27.477 -1.051 2.149 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -27.773 -1.747 3.760 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -26.684 -2.572 2.621 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -29.448 -3.984 -1.027 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -29.780 -4.786 0.526 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -30.603 -3.262 0.118 1.00 3.10 H new ATOM 590 N ILE A 40 -27.167 -4.383 4.480 1.00 3.82 N ATOM 591 CA ILE A 40 -25.912 -4.964 4.945 1.00 4.18 C ATOM 592 C ILE A 40 -26.098 -6.431 5.312 1.00 4.46 C ATOM 593 O ILE A 40 -25.143 -7.203 5.345 1.00 4.72 O ATOM 594 CB ILE A 40 -25.291 -4.168 6.116 1.00 4.46 C ATOM 595 CG1 ILE A 40 -26.204 -4.127 7.340 1.00 4.61 C ATOM 596 CG2 ILE A 40 -24.955 -2.760 5.662 1.00 4.32 C ATOM 597 CD1 ILE A 40 -26.009 -5.298 8.279 1.00 5.04 C ATOM 0 H ILE A 40 -27.597 -3.717 5.122 1.00 3.82 H new ATOM 0 HA ILE A 40 -25.205 -4.903 4.118 1.00 4.18 H new ATOM 0 HB ILE A 40 -24.379 -4.684 6.415 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -26.025 -3.200 7.886 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -27.242 -4.107 7.008 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -24.518 -2.205 6.492 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -24.242 -2.804 4.839 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -25.864 -2.259 5.329 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -26.690 -5.203 9.125 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -26.216 -6.228 7.749 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -24.981 -5.308 8.640 1.00 5.04 H new ATOM 609 N VAL A 41 -27.336 -6.809 5.595 1.00 4.47 N ATOM 610 CA VAL A 41 -27.675 -8.215 5.779 1.00 4.80 C ATOM 611 C VAL A 41 -27.719 -8.937 4.430 1.00 4.72 C ATOM 612 O VAL A 41 -27.209 -10.047 4.291 1.00 5.04 O ATOM 613 CB VAL A 41 -29.032 -8.390 6.502 1.00 4.99 C ATOM 614 CG1 VAL A 41 -29.419 -9.861 6.597 1.00 5.34 C ATOM 615 CG2 VAL A 41 -28.978 -7.777 7.890 1.00 5.37 C ATOM 0 H VAL A 41 -28.120 -6.166 5.702 1.00 4.47 H new ATOM 0 HA VAL A 41 -26.897 -8.654 6.404 1.00 4.80 H new ATOM 0 HB VAL A 41 -29.791 -7.873 5.915 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -30.377 -9.953 7.110 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -29.502 -10.281 5.595 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -28.655 -10.403 7.155 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -29.941 -7.909 8.384 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -28.200 -8.268 8.474 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -28.755 -6.713 7.809 1.00 5.37 H new ATOM 625 N HIS A 42 -28.308 -8.295 3.428 1.00 4.36 N ATOM 626 CA HIS A 42 -28.470 -8.915 2.114 1.00 4.38 C ATOM 627 C HIS A 42 -27.421 -8.430 1.121 1.00 4.19 C ATOM 628 O HIS A 42 -27.573 -8.603 -0.083 1.00 4.21 O ATOM 629 CB HIS A 42 -29.870 -8.647 1.562 1.00 4.29 C ATOM 630 CG HIS A 42 -30.913 -9.566 2.110 1.00 4.59 C ATOM 631 ND1 HIS A 42 -31.573 -10.492 1.337 1.00 4.88 N ATOM 632 CD2 HIS A 42 -31.409 -9.699 3.361 1.00 5.00 C ATOM 633 CE1 HIS A 42 -32.429 -11.159 2.086 1.00 5.32 C ATOM 634 NE2 HIS A 42 -32.352 -10.695 3.320 1.00 5.35 N ATOM 0 H HIS A 42 -28.681 -7.348 3.498 1.00 4.36 H new ATOM 0 HA HIS A 42 -28.334 -9.988 2.247 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -30.150 -7.618 1.787 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -29.848 -8.741 0.476 1.00 4.29 H new ATOM 0 HD1 HIS A 42 -31.424 -10.640 0.339 1.00 4.88 H new ATOM 0 HD2 HIS A 42 -31.117 -9.128 4.230 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -33.082 -11.950 1.748 1.00 5.32 H new ATOM 643 N MET A 43 -26.357 -7.826 1.635 1.00 4.14 N ATOM 644 CA MET A 43 -25.252 -7.348 0.802 1.00 4.14 C ATOM 645 C MET A 43 -24.593 -8.503 0.048 1.00 4.46 C ATOM 646 O MET A 43 -23.920 -8.302 -0.962 1.00 4.53 O ATOM 647 CB MET A 43 -24.223 -6.587 1.654 1.00 4.26 C ATOM 648 CG MET A 43 -23.567 -7.423 2.745 1.00 4.64 C ATOM 649 SD MET A 43 -22.111 -8.319 2.171 1.00 4.92 S ATOM 650 CE MET A 43 -21.043 -6.960 1.695 1.00 5.73 C ATOM 0 H MET A 43 -26.232 -7.653 2.632 1.00 4.14 H new ATOM 0 HA MET A 43 -25.658 -6.658 0.062 1.00 4.14 H new ATOM 0 HB2 MET A 43 -23.446 -6.194 0.998 1.00 4.26 H new ATOM 0 HB3 MET A 43 -24.714 -5.730 2.116 1.00 4.26 H new ATOM 0 HG2 MET A 43 -23.283 -6.772 3.572 1.00 4.64 H new ATOM 0 HG3 MET A 43 -24.294 -8.135 3.135 1.00 4.64 H new ATOM 0 HE1 MET A 43 -20.001 -7.251 1.830 1.00 5.73 H new ATOM 0 HE2 MET A 43 -21.217 -6.710 0.648 1.00 5.73 H new ATOM 0 HE3 MET A 43 -21.261 -6.091 2.316 1.00 5.73 H new ATOM 660 N GLU A 44 -24.787 -9.711 0.566 1.00 4.75 N ATOM 661 CA GLU A 44 -24.246 -10.921 -0.036 1.00 5.13 C ATOM 662 C GLU A 44 -24.800 -11.167 -1.442 1.00 5.18 C ATOM 663 O GLU A 44 -24.184 -11.880 -2.236 1.00 5.55 O ATOM 664 CB GLU A 44 -24.568 -12.126 0.854 1.00 5.44 C ATOM 665 CG GLU A 44 -26.058 -12.290 1.130 1.00 5.61 C ATOM 666 CD GLU A 44 -26.380 -13.547 1.909 1.00 6.04 C ATOM 667 OE1 GLU A 44 -26.383 -13.494 3.153 1.00 6.20 O ATOM 668 OE2 GLU A 44 -26.632 -14.595 1.276 1.00 6.34 O ATOM 0 H GLU A 44 -25.325 -9.877 1.417 1.00 4.75 H new ATOM 0 HA GLU A 44 -23.168 -10.789 -0.123 1.00 5.13 H new ATOM 0 HB2 GLU A 44 -24.192 -13.031 0.378 1.00 5.44 H new ATOM 0 HB3 GLU A 44 -24.039 -12.021 1.801 1.00 5.44 H new ATOM 0 HG2 GLU A 44 -26.417 -11.423 1.685 1.00 5.61 H new ATOM 0 HG3 GLU A 44 -26.598 -12.308 0.183 1.00 5.61 H new ATOM 675 N GLU A 45 -25.951 -10.579 -1.750 1.00 4.91 N ATOM 676 CA GLU A 45 -26.624 -10.837 -3.018 1.00 5.03 C ATOM 677 C GLU A 45 -26.091 -9.917 -4.114 1.00 4.94 C ATOM 678 O GLU A 45 -26.302 -8.704 -4.090 1.00 4.63 O ATOM 679 CB GLU A 45 -28.132 -10.656 -2.854 1.00 4.92 C ATOM 680 CG GLU A 45 -28.676 -11.337 -1.612 1.00 5.10 C ATOM 681 CD GLU A 45 -30.188 -11.429 -1.583 1.00 5.33 C ATOM 682 OE1 GLU A 45 -30.840 -10.432 -1.220 1.00 5.49 O ATOM 683 OE2 GLU A 45 -30.732 -12.489 -1.956 1.00 5.62 O ATOM 0 H GLU A 45 -26.437 -9.921 -1.140 1.00 4.91 H new ATOM 0 HA GLU A 45 -26.422 -11.866 -3.315 1.00 5.03 H new ATOM 0 HB2 GLU A 45 -28.362 -9.592 -2.809 1.00 4.92 H new ATOM 0 HB3 GLU A 45 -28.639 -11.055 -3.733 1.00 4.92 H new ATOM 0 HG2 GLU A 45 -28.258 -12.342 -1.546 1.00 5.10 H new ATOM 0 HG3 GLU A 45 -28.337 -10.792 -0.731 1.00 5.10 H new ATOM 690 N PRO A 46 -25.380 -10.507 -5.090 1.00 5.34 N ATOM 691 CA PRO A 46 -24.724 -9.772 -6.179 1.00 5.48 C ATOM 692 C PRO A 46 -25.696 -9.062 -7.111 1.00 5.20 C ATOM 693 O PRO A 46 -25.574 -7.865 -7.367 1.00 5.09 O ATOM 694 CB PRO A 46 -23.996 -10.867 -6.970 1.00 6.09 C ATOM 695 CG PRO A 46 -24.673 -12.139 -6.599 1.00 6.22 C ATOM 696 CD PRO A 46 -25.148 -11.959 -5.190 1.00 5.83 C ATOM 0 HA PRO A 46 -24.084 -8.988 -5.774 1.00 5.48 H new ATOM 0 HB2 PRO A 46 -24.061 -10.686 -8.043 1.00 6.09 H new ATOM 0 HB3 PRO A 46 -22.937 -10.897 -6.715 1.00 6.09 H new ATOM 0 HG2 PRO A 46 -25.508 -12.346 -7.269 1.00 6.22 H new ATOM 0 HG3 PRO A 46 -23.987 -12.983 -6.675 1.00 6.22 H new ATOM 0 HD2 PRO A 46 -26.059 -12.526 -4.998 1.00 5.83 H new ATOM 0 HD3 PRO A 46 -24.404 -12.298 -4.469 1.00 5.83 H new ATOM 704 N ASP A 47 -26.663 -9.809 -7.610 1.00 5.24 N ATOM 705 CA ASP A 47 -27.510 -9.340 -8.694 1.00 5.21 C ATOM 706 C ASP A 47 -28.839 -8.802 -8.167 1.00 4.87 C ATOM 707 O ASP A 47 -29.633 -8.226 -8.912 1.00 5.07 O ATOM 708 CB ASP A 47 -27.716 -10.485 -9.691 1.00 5.76 C ATOM 709 CG ASP A 47 -28.683 -10.151 -10.809 1.00 5.90 C ATOM 710 OD1 ASP A 47 -28.289 -9.417 -11.738 1.00 5.92 O ATOM 711 OD2 ASP A 47 -29.838 -10.627 -10.768 1.00 6.09 O ATOM 0 H ASP A 47 -26.883 -10.749 -7.280 1.00 5.24 H new ATOM 0 HA ASP A 47 -27.022 -8.509 -9.203 1.00 5.21 H new ATOM 0 HB2 ASP A 47 -26.753 -10.756 -10.124 1.00 5.76 H new ATOM 0 HB3 ASP A 47 -28.082 -11.361 -9.155 1.00 5.76 H new ATOM 716 N PHE A 48 -29.063 -8.959 -6.865 1.00 4.47 N ATOM 717 CA PHE A 48 -30.266 -8.424 -6.231 1.00 4.28 C ATOM 718 C PHE A 48 -30.229 -6.898 -6.183 1.00 4.06 C ATOM 719 O PHE A 48 -31.230 -6.256 -5.869 1.00 4.10 O ATOM 720 CB PHE A 48 -30.474 -9.014 -4.830 1.00 4.08 C ATOM 721 CG PHE A 48 -31.242 -10.308 -4.850 1.00 4.34 C ATOM 722 CD1 PHE A 48 -30.620 -11.496 -5.193 1.00 4.82 C ATOM 723 CD2 PHE A 48 -32.592 -10.329 -4.534 1.00 4.54 C ATOM 724 CE1 PHE A 48 -31.328 -12.682 -5.217 1.00 5.56 C ATOM 725 CE2 PHE A 48 -33.307 -11.512 -4.561 1.00 5.35 C ATOM 726 CZ PHE A 48 -32.672 -12.690 -4.902 1.00 5.89 C ATOM 0 H PHE A 48 -28.432 -9.449 -6.231 1.00 4.47 H new ATOM 0 HA PHE A 48 -31.118 -8.722 -6.842 1.00 4.28 H new ATOM 0 HB2 PHE A 48 -29.503 -9.180 -4.363 1.00 4.08 H new ATOM 0 HB3 PHE A 48 -31.006 -8.291 -4.212 1.00 4.08 H new ATOM 0 HD1 PHE A 48 -29.570 -11.496 -5.445 1.00 4.82 H new ATOM 0 HD2 PHE A 48 -33.091 -9.410 -4.264 1.00 4.54 H new ATOM 0 HE1 PHE A 48 -30.830 -13.603 -5.482 1.00 5.56 H new ATOM 0 HE2 PHE A 48 -34.359 -11.515 -4.316 1.00 5.35 H new ATOM 0 HZ PHE A 48 -33.226 -13.617 -4.922 1.00 5.89 H new ATOM 736 N ALA A 49 -29.073 -6.322 -6.485 1.00 3.98 N ATOM 737 CA ALA A 49 -28.968 -4.883 -6.651 1.00 3.94 C ATOM 738 C ALA A 49 -29.363 -4.505 -8.077 1.00 4.20 C ATOM 739 O ALA A 49 -30.485 -4.764 -8.504 1.00 4.60 O ATOM 740 CB ALA A 49 -27.559 -4.408 -6.328 1.00 3.76 C ATOM 0 H ALA A 49 -28.198 -6.830 -6.619 1.00 3.98 H new ATOM 0 HA ALA A 49 -29.648 -4.390 -5.957 1.00 3.94 H new ATOM 0 HB1 ALA A 49 -27.501 -3.327 -6.458 1.00 3.76 H new ATOM 0 HB2 ALA A 49 -27.317 -4.663 -5.296 1.00 3.76 H new ATOM 0 HB3 ALA A 49 -26.849 -4.893 -6.998 1.00 3.76 H new ATOM 746 N GLU A 50 -28.446 -3.893 -8.807 1.00 4.24 N ATOM 747 CA GLU A 50 -28.649 -3.622 -10.218 1.00 4.57 C ATOM 748 C GLU A 50 -27.378 -3.926 -10.996 1.00 4.75 C ATOM 749 O GLU A 50 -26.271 -3.718 -10.494 1.00 4.95 O ATOM 750 CB GLU A 50 -29.050 -2.165 -10.444 1.00 4.92 C ATOM 751 CG GLU A 50 -30.373 -1.792 -9.814 1.00 5.05 C ATOM 752 CD GLU A 50 -31.012 -0.596 -10.488 1.00 5.48 C ATOM 753 OE1 GLU A 50 -31.311 -0.689 -11.700 1.00 5.96 O ATOM 754 OE2 GLU A 50 -31.231 0.431 -9.816 1.00 5.57 O ATOM 0 H GLU A 50 -27.549 -3.573 -8.442 1.00 4.24 H new ATOM 0 HA GLU A 50 -29.456 -4.263 -10.572 1.00 4.57 H new ATOM 0 HB2 GLU A 50 -28.271 -1.517 -10.042 1.00 4.92 H new ATOM 0 HB3 GLU A 50 -29.102 -1.974 -11.516 1.00 4.92 H new ATOM 0 HG2 GLU A 50 -31.052 -2.643 -9.869 1.00 5.05 H new ATOM 0 HG3 GLU A 50 -30.221 -1.573 -8.757 1.00 5.05 H new ATOM 761 N PRO A 51 -27.516 -4.454 -12.220 1.00 4.90 N ATOM 762 CA PRO A 51 -26.387 -4.643 -13.133 1.00 5.25 C ATOM 763 C PRO A 51 -25.887 -3.309 -13.675 1.00 5.72 C ATOM 764 O PRO A 51 -26.061 -2.990 -14.853 1.00 6.20 O ATOM 765 CB PRO A 51 -26.964 -5.498 -14.268 1.00 5.43 C ATOM 766 CG PRO A 51 -28.292 -5.977 -13.778 1.00 5.26 C ATOM 767 CD PRO A 51 -28.770 -4.941 -12.804 1.00 4.99 C ATOM 0 HA PRO A 51 -25.533 -5.109 -12.641 1.00 5.25 H new ATOM 0 HB2 PRO A 51 -27.071 -4.914 -15.182 1.00 5.43 H new ATOM 0 HB3 PRO A 51 -26.307 -6.336 -14.500 1.00 5.43 H new ATOM 0 HG2 PRO A 51 -28.995 -6.091 -14.603 1.00 5.26 H new ATOM 0 HG3 PRO A 51 -28.203 -6.952 -13.299 1.00 5.26 H new ATOM 0 HD2 PRO A 51 -29.324 -4.143 -13.299 1.00 4.99 H new ATOM 0 HD3 PRO A 51 -29.431 -5.367 -12.049 1.00 4.99 H new ATOM 775 N LEU A 52 -25.285 -2.532 -12.796 1.00 5.84 N ATOM 776 CA LEU A 52 -24.808 -1.202 -13.129 1.00 6.50 C ATOM 777 C LEU A 52 -23.442 -0.959 -12.504 1.00 6.46 C ATOM 778 O LEU A 52 -23.331 -0.864 -11.280 1.00 6.65 O ATOM 779 CB LEU A 52 -25.806 -0.142 -12.653 1.00 7.01 C ATOM 780 CG LEU A 52 -25.443 1.303 -13.005 1.00 7.83 C ATOM 781 CD1 LEU A 52 -25.378 1.486 -14.513 1.00 8.24 C ATOM 782 CD2 LEU A 52 -26.449 2.264 -12.398 1.00 8.24 C ATOM 0 H LEU A 52 -25.112 -2.805 -11.828 1.00 5.84 H new ATOM 0 HA LEU A 52 -24.714 -1.129 -14.212 1.00 6.50 H new ATOM 0 HB2 LEU A 52 -26.783 -0.368 -13.081 1.00 7.01 H new ATOM 0 HB3 LEU A 52 -25.906 -0.221 -11.570 1.00 7.01 H new ATOM 0 HG LEU A 52 -24.459 1.522 -12.590 1.00 7.83 H new ATOM 0 HD11 LEU A 52 -25.119 2.519 -14.743 1.00 8.24 H new ATOM 0 HD12 LEU A 52 -24.621 0.821 -14.928 1.00 8.24 H new ATOM 0 HD13 LEU A 52 -26.348 1.249 -14.950 1.00 8.24 H new ATOM 0 HD21 LEU A 52 -26.177 3.287 -12.657 1.00 8.24 H new ATOM 0 HD22 LEU A 52 -27.443 2.043 -12.786 1.00 8.24 H new ATOM 0 HD23 LEU A 52 -26.450 2.153 -11.314 1.00 8.24 H new ATOM 794 N THR A 53 -22.414 -0.929 -13.350 1.00 6.46 N ATOM 795 CA THR A 53 -21.051 -0.617 -12.924 1.00 6.53 C ATOM 796 C THR A 53 -21.041 0.568 -11.960 1.00 6.07 C ATOM 797 O THR A 53 -21.480 1.669 -12.312 1.00 5.77 O ATOM 798 CB THR A 53 -20.169 -0.284 -14.142 1.00 6.80 C ATOM 799 OG1 THR A 53 -20.420 -1.222 -15.196 1.00 7.02 O ATOM 800 CG2 THR A 53 -18.693 -0.315 -13.772 1.00 7.27 C ATOM 0 H THR A 53 -22.502 -1.120 -14.348 1.00 6.46 H new ATOM 0 HA THR A 53 -20.653 -1.495 -12.415 1.00 6.53 H new ATOM 0 HB THR A 53 -20.420 0.722 -14.479 1.00 6.80 H new ATOM 0 HG1 THR A 53 -19.858 -1.004 -15.968 1.00 7.02 H new ATOM 0 HG21 THR A 53 -18.093 -0.076 -14.650 1.00 7.27 H new ATOM 0 HG22 THR A 53 -18.499 0.418 -12.989 1.00 7.27 H new ATOM 0 HG23 THR A 53 -18.429 -1.309 -13.411 1.00 7.27 H new ATOM 808 N MET A 54 -20.537 0.331 -10.752 1.00 6.16 N ATOM 809 CA MET A 54 -20.609 1.316 -9.677 1.00 5.89 C ATOM 810 C MET A 54 -19.886 2.610 -10.046 1.00 5.95 C ATOM 811 O MET A 54 -18.788 2.588 -10.614 1.00 6.39 O ATOM 812 CB MET A 54 -20.026 0.755 -8.370 1.00 6.24 C ATOM 813 CG MET A 54 -18.542 0.433 -8.433 1.00 6.48 C ATOM 814 SD MET A 54 -17.805 0.258 -6.794 1.00 7.13 S ATOM 815 CE MET A 54 -17.973 1.933 -6.177 1.00 7.41 C ATOM 0 H MET A 54 -20.072 -0.539 -10.492 1.00 6.16 H new ATOM 0 HA MET A 54 -21.665 1.541 -9.528 1.00 5.89 H new ATOM 0 HB2 MET A 54 -20.195 1.477 -7.571 1.00 6.24 H new ATOM 0 HB3 MET A 54 -20.571 -0.150 -8.102 1.00 6.24 H new ATOM 0 HG2 MET A 54 -18.397 -0.490 -8.994 1.00 6.48 H new ATOM 0 HG3 MET A 54 -18.025 1.222 -8.979 1.00 6.48 H new ATOM 0 HE1 MET A 54 -17.579 1.988 -5.162 1.00 7.41 H new ATOM 0 HE2 MET A 54 -17.417 2.615 -6.820 1.00 7.41 H new ATOM 0 HE3 MET A 54 -19.026 2.215 -6.173 1.00 7.41 H new ATOM 825 N PRO A 55 -20.510 3.754 -9.742 1.00 5.59 N ATOM 826 CA PRO A 55 -19.898 5.064 -9.928 1.00 5.72 C ATOM 827 C PRO A 55 -18.817 5.320 -8.885 1.00 5.89 C ATOM 828 O PRO A 55 -19.022 5.087 -7.691 1.00 5.88 O ATOM 829 CB PRO A 55 -21.059 6.055 -9.746 1.00 5.35 C ATOM 830 CG PRO A 55 -22.299 5.223 -9.673 1.00 5.07 C ATOM 831 CD PRO A 55 -21.868 3.865 -9.201 1.00 5.14 C ATOM 0 HA PRO A 55 -19.412 5.154 -10.899 1.00 5.72 H new ATOM 0 HB2 PRO A 55 -20.930 6.645 -8.839 1.00 5.35 H new ATOM 0 HB3 PRO A 55 -21.108 6.757 -10.579 1.00 5.35 H new ATOM 0 HG2 PRO A 55 -23.022 5.662 -8.986 1.00 5.07 H new ATOM 0 HG3 PRO A 55 -22.783 5.160 -10.648 1.00 5.07 H new ATOM 0 HD2 PRO A 55 -21.878 3.792 -8.114 1.00 5.14 H new ATOM 0 HD3 PRO A 55 -22.521 3.078 -9.580 1.00 5.14 H new ATOM 839 N GLY A 56 -17.667 5.790 -9.336 1.00 6.30 N ATOM 840 CA GLY A 56 -16.567 6.048 -8.435 1.00 6.57 C ATOM 841 C GLY A 56 -16.703 7.386 -7.741 1.00 6.46 C ATOM 842 O GLY A 56 -16.227 8.401 -8.246 1.00 6.63 O ATOM 0 H GLY A 56 -17.475 5.999 -10.316 1.00 6.30 H new ATOM 0 HA2 GLY A 56 -16.517 5.256 -7.688 1.00 6.57 H new ATOM 0 HA3 GLY A 56 -15.630 6.022 -8.991 1.00 6.57 H new ATOM 846 N TYR A 57 -17.374 7.391 -6.596 1.00 6.36 N ATOM 847 CA TYR A 57 -17.537 8.607 -5.808 1.00 6.35 C ATOM 848 C TYR A 57 -16.187 9.056 -5.258 1.00 6.52 C ATOM 849 O TYR A 57 -15.693 8.509 -4.269 1.00 6.67 O ATOM 850 CB TYR A 57 -18.529 8.372 -4.666 1.00 6.28 C ATOM 851 CG TYR A 57 -18.908 9.627 -3.906 1.00 6.80 C ATOM 852 CD1 TYR A 57 -19.852 10.518 -4.409 1.00 7.08 C ATOM 853 CD2 TYR A 57 -18.318 9.919 -2.684 1.00 7.33 C ATOM 854 CE1 TYR A 57 -20.194 11.663 -3.711 1.00 7.82 C ATOM 855 CE2 TYR A 57 -18.656 11.059 -1.982 1.00 8.03 C ATOM 856 CZ TYR A 57 -19.614 11.936 -2.523 1.00 8.26 C ATOM 857 OH TYR A 57 -19.928 13.068 -1.798 1.00 9.15 O ATOM 0 H TYR A 57 -17.815 6.565 -6.191 1.00 6.36 H new ATOM 0 HA TYR A 57 -17.933 9.394 -6.450 1.00 6.35 H new ATOM 0 HB2 TYR A 57 -19.434 7.919 -5.072 1.00 6.28 H new ATOM 0 HB3 TYR A 57 -18.099 7.654 -3.968 1.00 6.28 H new ATOM 0 HD1 TYR A 57 -20.325 10.313 -5.358 1.00 7.08 H new ATOM 0 HD2 TYR A 57 -17.582 9.243 -2.275 1.00 7.33 H new ATOM 0 HE1 TYR A 57 -20.929 12.342 -4.119 1.00 7.82 H new ATOM 0 HE2 TYR A 57 -18.192 11.274 -1.031 1.00 8.03 H new ATOM 0 HH TYR A 57 -19.404 13.082 -0.970 1.00 9.15 H new ATOM 867 N GLY A 58 -15.591 10.042 -5.914 1.00 6.69 N ATOM 868 CA GLY A 58 -14.279 10.504 -5.525 1.00 6.92 C ATOM 869 C GLY A 58 -13.195 9.859 -6.356 1.00 6.80 C ATOM 870 O GLY A 58 -12.106 9.564 -5.858 1.00 6.92 O ATOM 0 H GLY A 58 -15.997 10.531 -6.712 1.00 6.69 H new ATOM 0 HA2 GLY A 58 -14.227 11.587 -5.634 1.00 6.92 H new ATOM 0 HA3 GLY A 58 -14.112 10.282 -4.471 1.00 6.92 H new ATOM 874 N GLY A 59 -13.488 9.657 -7.636 1.00 6.87 N ATOM 875 CA GLY A 59 -12.565 8.972 -8.520 1.00 7.00 C ATOM 876 C GLY A 59 -11.485 9.882 -9.064 1.00 7.03 C ATOM 877 O GLY A 59 -11.020 9.700 -10.187 1.00 7.34 O ATOM 0 H GLY A 59 -14.356 9.958 -8.079 1.00 6.87 H new ATOM 0 HA2 GLY A 59 -12.100 8.146 -7.982 1.00 7.00 H new ATOM 0 HA3 GLY A 59 -13.120 8.538 -9.352 1.00 7.00 H new ATOM 881 N ALA A 60 -11.091 10.868 -8.272 1.00 7.00 N ATOM 882 CA ALA A 60 -10.016 11.765 -8.652 1.00 7.26 C ATOM 883 C ALA A 60 -8.679 11.194 -8.195 1.00 6.98 C ATOM 884 O ALA A 60 -7.654 11.357 -8.860 1.00 7.45 O ATOM 885 CB ALA A 60 -10.240 13.150 -8.065 1.00 7.80 C ATOM 0 H ALA A 60 -11.503 11.066 -7.360 1.00 7.00 H new ATOM 0 HA ALA A 60 -10.003 11.859 -9.738 1.00 7.26 H new ATOM 0 HB1 ALA A 60 -9.423 13.807 -8.362 1.00 7.80 H new ATOM 0 HB2 ALA A 60 -11.183 13.554 -8.434 1.00 7.80 H new ATOM 0 HB3 ALA A 60 -10.275 13.083 -6.978 1.00 7.80 H new ATOM 891 N ALA A 61 -8.702 10.509 -7.058 1.00 6.50 N ATOM 892 CA ALA A 61 -7.501 9.897 -6.507 1.00 6.49 C ATOM 893 C ALA A 61 -7.319 8.491 -7.064 1.00 6.14 C ATOM 894 O ALA A 61 -7.701 7.506 -6.432 1.00 6.28 O ATOM 895 CB ALA A 61 -7.571 9.871 -4.985 1.00 6.73 C ATOM 0 H ALA A 61 -9.543 10.364 -6.499 1.00 6.50 H new ATOM 0 HA ALA A 61 -6.638 10.494 -6.800 1.00 6.49 H new ATOM 0 HB1 ALA A 61 -6.667 9.411 -4.587 1.00 6.73 H new ATOM 0 HB2 ALA A 61 -7.656 10.890 -4.607 1.00 6.73 H new ATOM 0 HB3 ALA A 61 -8.440 9.294 -4.671 1.00 6.73 H new ATOM 901 N SER A 62 -6.734 8.411 -8.250 1.00 6.05 N ATOM 902 CA SER A 62 -6.544 7.139 -8.934 1.00 6.07 C ATOM 903 C SER A 62 -5.591 6.231 -8.158 1.00 5.77 C ATOM 904 O SER A 62 -5.815 5.024 -8.051 1.00 5.85 O ATOM 905 CB SER A 62 -6.014 7.392 -10.347 1.00 6.77 C ATOM 906 OG SER A 62 -4.983 8.368 -10.335 1.00 7.03 O ATOM 0 H SER A 62 -6.380 9.219 -8.763 1.00 6.05 H new ATOM 0 HA SER A 62 -7.506 6.630 -8.996 1.00 6.07 H new ATOM 0 HB2 SER A 62 -5.634 6.462 -10.769 1.00 6.77 H new ATOM 0 HB3 SER A 62 -6.828 7.725 -10.991 1.00 6.77 H new ATOM 0 HG SER A 62 -4.658 8.512 -11.248 1.00 7.03 H new ATOM 912 N ALA A 63 -4.547 6.821 -7.595 1.00 5.78 N ATOM 913 CA ALA A 63 -3.558 6.062 -6.849 1.00 5.81 C ATOM 914 C ALA A 63 -3.541 6.489 -5.384 1.00 5.84 C ATOM 915 O ALA A 63 -2.491 6.489 -4.737 1.00 6.18 O ATOM 916 CB ALA A 63 -2.179 6.227 -7.473 1.00 6.23 C ATOM 0 H ALA A 63 -4.364 7.823 -7.641 1.00 5.78 H new ATOM 0 HA ALA A 63 -3.831 5.008 -6.891 1.00 5.81 H new ATOM 0 HB1 ALA A 63 -1.450 5.652 -6.902 1.00 6.23 H new ATOM 0 HB2 ALA A 63 -2.200 5.867 -8.502 1.00 6.23 H new ATOM 0 HB3 ALA A 63 -1.899 7.280 -7.463 1.00 6.23 H new ATOM 922 N GLY A 64 -4.711 6.866 -4.874 1.00 5.88 N ATOM 923 CA GLY A 64 -4.833 7.277 -3.485 1.00 6.25 C ATOM 924 C GLY A 64 -4.102 8.574 -3.194 1.00 6.50 C ATOM 925 O GLY A 64 -4.269 9.565 -3.911 1.00 7.09 O ATOM 0 H GLY A 64 -5.583 6.894 -5.403 1.00 5.88 H new ATOM 0 HA2 GLY A 64 -5.888 7.395 -3.236 1.00 6.25 H new ATOM 0 HA3 GLY A 64 -4.440 6.490 -2.841 1.00 6.25 H new ATOM 929 N ALA A 65 -3.286 8.559 -2.146 1.00 6.31 N ATOM 930 CA ALA A 65 -2.518 9.733 -1.752 1.00 6.70 C ATOM 931 C ALA A 65 -1.226 9.822 -2.552 1.00 6.52 C ATOM 932 O ALA A 65 -0.677 10.905 -2.754 1.00 6.63 O ATOM 933 CB ALA A 65 -2.223 9.717 -0.268 1.00 7.10 C ATOM 0 H ALA A 65 -3.139 7.743 -1.552 1.00 6.31 H new ATOM 0 HA ALA A 65 -3.120 10.616 -1.967 1.00 6.70 H new ATOM 0 HB1 ALA A 65 -1.649 10.604 -0.002 1.00 7.10 H new ATOM 0 HB2 ALA A 65 -3.160 9.710 0.289 1.00 7.10 H new ATOM 0 HB3 ALA A 65 -1.647 8.825 -0.021 1.00 7.10 H new ATOM 939 N SER A 66 -0.758 8.650 -2.989 1.00 6.56 N ATOM 940 CA SER A 66 0.369 8.535 -3.911 1.00 6.64 C ATOM 941 C SER A 66 1.670 9.041 -3.291 1.00 6.65 C ATOM 942 O SER A 66 2.536 9.571 -3.989 1.00 7.09 O ATOM 943 CB SER A 66 0.061 9.289 -5.206 1.00 7.21 C ATOM 944 OG SER A 66 -1.172 8.850 -5.759 1.00 7.60 O ATOM 0 H SER A 66 -1.154 7.752 -2.711 1.00 6.56 H new ATOM 0 HA SER A 66 0.511 7.478 -4.134 1.00 6.64 H new ATOM 0 HB2 SER A 66 0.016 10.360 -5.008 1.00 7.21 H new ATOM 0 HB3 SER A 66 0.865 9.131 -5.925 1.00 7.21 H new ATOM 0 HG SER A 66 -1.445 8.014 -5.327 1.00 7.60 H new ATOM 950 N VAL A 67 1.811 8.860 -1.986 1.00 6.47 N ATOM 951 CA VAL A 67 3.018 9.277 -1.293 1.00 6.78 C ATOM 952 C VAL A 67 3.276 8.413 -0.056 1.00 6.57 C ATOM 953 O VAL A 67 2.731 8.646 1.025 1.00 6.79 O ATOM 954 CB VAL A 67 2.972 10.784 -0.915 1.00 7.44 C ATOM 955 CG1 VAL A 67 1.709 11.137 -0.138 1.00 7.83 C ATOM 956 CG2 VAL A 67 4.219 11.185 -0.136 1.00 8.01 C ATOM 0 H VAL A 67 1.106 8.428 -1.388 1.00 6.47 H new ATOM 0 HA VAL A 67 3.850 9.135 -1.983 1.00 6.78 H new ATOM 0 HB VAL A 67 2.949 11.352 -1.845 1.00 7.44 H new ATOM 0 HG11 VAL A 67 1.717 12.199 0.106 1.00 7.83 H new ATOM 0 HG12 VAL A 67 0.833 10.911 -0.746 1.00 7.83 H new ATOM 0 HG13 VAL A 67 1.673 10.553 0.782 1.00 7.83 H new ATOM 0 HG21 VAL A 67 4.165 12.244 0.118 1.00 8.01 H new ATOM 0 HG22 VAL A 67 4.282 10.595 0.779 1.00 8.01 H new ATOM 0 HG23 VAL A 67 5.104 11.003 -0.746 1.00 8.01 H new ATOM 966 N PHE A 68 4.095 7.389 -0.230 1.00 6.43 N ATOM 967 CA PHE A 68 4.491 6.549 0.888 1.00 6.47 C ATOM 968 C PHE A 68 5.773 7.094 1.509 1.00 6.31 C ATOM 969 O PHE A 68 6.681 7.533 0.801 1.00 6.38 O ATOM 970 CB PHE A 68 4.671 5.087 0.452 1.00 6.80 C ATOM 971 CG PHE A 68 5.806 4.846 -0.510 1.00 6.98 C ATOM 972 CD1 PHE A 68 5.631 5.026 -1.872 1.00 7.33 C ATOM 973 CD2 PHE A 68 7.047 4.433 -0.048 1.00 7.16 C ATOM 974 CE1 PHE A 68 6.671 4.801 -2.754 1.00 7.87 C ATOM 975 CE2 PHE A 68 8.091 4.207 -0.926 1.00 7.69 C ATOM 976 CZ PHE A 68 7.903 4.391 -2.279 1.00 8.06 C ATOM 0 H PHE A 68 4.496 7.120 -1.128 1.00 6.43 H new ATOM 0 HA PHE A 68 3.698 6.568 1.636 1.00 6.47 H new ATOM 0 HB2 PHE A 68 4.831 4.475 1.340 1.00 6.80 H new ATOM 0 HB3 PHE A 68 3.745 4.744 -0.009 1.00 6.80 H new ATOM 0 HD1 PHE A 68 4.671 5.346 -2.249 1.00 7.33 H new ATOM 0 HD2 PHE A 68 7.200 4.286 1.011 1.00 7.16 H new ATOM 0 HE1 PHE A 68 6.521 4.945 -3.814 1.00 7.87 H new ATOM 0 HE2 PHE A 68 9.052 3.887 -0.552 1.00 7.69 H new ATOM 0 HZ PHE A 68 8.717 4.215 -2.967 1.00 8.06 H new ATOM 986 N GLY A 69 5.828 7.091 2.828 1.00 6.44 N ATOM 987 CA GLY A 69 6.993 7.593 3.519 1.00 6.62 C ATOM 988 C GLY A 69 7.910 6.477 3.964 1.00 6.34 C ATOM 989 O GLY A 69 7.541 5.303 3.904 1.00 6.59 O ATOM 0 H GLY A 69 5.084 6.748 3.435 1.00 6.44 H new ATOM 0 HA2 GLY A 69 7.539 8.272 2.864 1.00 6.62 H new ATOM 0 HA3 GLY A 69 6.678 8.172 4.387 1.00 6.62 H new ATOM 993 N ALA A 70 9.101 6.839 4.415 1.00 6.06 N ATOM 994 CA ALA A 70 10.071 5.857 4.871 1.00 5.92 C ATOM 995 C ALA A 70 9.831 5.515 6.334 1.00 5.81 C ATOM 996 O ALA A 70 10.362 4.526 6.844 1.00 5.53 O ATOM 997 CB ALA A 70 11.488 6.371 4.659 1.00 6.12 C ATOM 0 H ALA A 70 9.419 7.806 4.475 1.00 6.06 H new ATOM 0 HA ALA A 70 9.949 4.947 4.284 1.00 5.92 H new ATOM 0 HB1 ALA A 70 12.202 5.624 5.006 1.00 6.12 H new ATOM 0 HB2 ALA A 70 11.650 6.563 3.598 1.00 6.12 H new ATOM 0 HB3 ALA A 70 11.628 7.295 5.221 1.00 6.12 H new ATOM 1003 N SER A 71 9.026 6.356 6.988 1.00 6.37 N ATOM 1004 CA SER A 71 8.637 6.176 8.387 1.00 6.69 C ATOM 1005 C SER A 71 9.816 6.421 9.335 1.00 6.62 C ATOM 1006 O SER A 71 9.817 7.383 10.107 1.00 7.18 O ATOM 1007 CB SER A 71 8.051 4.777 8.606 1.00 7.32 C ATOM 1008 OG SER A 71 7.029 4.498 7.664 1.00 7.65 O ATOM 0 H SER A 71 8.623 7.188 6.557 1.00 6.37 H new ATOM 0 HA SER A 71 7.870 6.916 8.616 1.00 6.69 H new ATOM 0 HB2 SER A 71 8.841 4.031 8.521 1.00 7.32 H new ATOM 0 HB3 SER A 71 7.649 4.702 9.616 1.00 7.32 H new ATOM 0 HG SER A 71 6.673 3.599 7.824 1.00 7.65 H new ATOM 1014 N GLY A 72 10.820 5.567 9.259 1.00 6.18 N ATOM 1015 CA GLY A 72 11.977 5.698 10.113 1.00 6.25 C ATOM 1016 C GLY A 72 13.242 5.270 9.408 1.00 5.97 C ATOM 1017 O GLY A 72 13.312 4.167 8.864 1.00 6.22 O ATOM 0 H GLY A 72 10.854 4.777 8.614 1.00 6.18 H new ATOM 0 HA2 GLY A 72 12.074 6.734 10.438 1.00 6.25 H new ATOM 0 HA3 GLY A 72 11.838 5.094 11.010 1.00 6.25 H new ATOM 1021 N LEU A 73 14.235 6.145 9.403 1.00 5.83 N ATOM 1022 CA LEU A 73 15.516 5.855 8.769 1.00 5.94 C ATOM 1023 C LEU A 73 16.511 5.357 9.808 1.00 5.82 C ATOM 1024 O LEU A 73 17.693 5.168 9.522 1.00 6.29 O ATOM 1025 CB LEU A 73 16.077 7.095 8.060 1.00 6.31 C ATOM 1026 CG LEU A 73 15.450 7.424 6.704 1.00 6.87 C ATOM 1027 CD1 LEU A 73 15.602 6.253 5.743 1.00 7.29 C ATOM 1028 CD2 LEU A 73 13.988 7.799 6.862 1.00 6.85 C ATOM 0 H LEU A 73 14.180 7.068 9.833 1.00 5.83 H new ATOM 0 HA LEU A 73 15.355 5.079 8.021 1.00 5.94 H new ATOM 0 HB2 LEU A 73 15.949 7.955 8.717 1.00 6.31 H new ATOM 0 HB3 LEU A 73 17.149 6.957 7.920 1.00 6.31 H new ATOM 0 HG LEU A 73 15.978 8.281 6.286 1.00 6.87 H new ATOM 0 HD11 LEU A 73 15.149 6.508 4.785 1.00 7.29 H new ATOM 0 HD12 LEU A 73 16.660 6.036 5.598 1.00 7.29 H new ATOM 0 HD13 LEU A 73 15.105 5.376 6.157 1.00 7.29 H new ATOM 0 HD21 LEU A 73 13.564 8.029 5.885 1.00 6.85 H new ATOM 0 HD22 LEU A 73 13.445 6.965 7.307 1.00 6.85 H new ATOM 0 HD23 LEU A 73 13.904 8.673 7.508 1.00 6.85 H new ATOM 1040 N ASP A 74 16.013 5.149 11.015 1.00 5.46 N ATOM 1041 CA ASP A 74 16.851 4.742 12.131 1.00 5.52 C ATOM 1042 C ASP A 74 16.732 3.245 12.357 1.00 5.36 C ATOM 1043 O ASP A 74 15.788 2.773 12.995 1.00 5.45 O ATOM 1044 CB ASP A 74 16.456 5.496 13.401 1.00 5.72 C ATOM 1045 CG ASP A 74 16.503 6.997 13.217 1.00 6.00 C ATOM 1046 OD1 ASP A 74 17.601 7.580 13.337 1.00 6.55 O ATOM 1047 OD2 ASP A 74 15.446 7.609 12.960 1.00 5.97 O ATOM 0 H ASP A 74 15.026 5.256 11.248 1.00 5.46 H new ATOM 0 HA ASP A 74 17.887 4.983 11.891 1.00 5.52 H new ATOM 0 HB2 ASP A 74 15.450 5.200 13.698 1.00 5.72 H new ATOM 0 HB3 ASP A 74 17.125 5.211 14.213 1.00 5.72 H new ATOM 1052 N ASN A 75 17.682 2.505 11.814 1.00 5.42 N ATOM 1053 CA ASN A 75 17.702 1.057 11.944 1.00 5.53 C ATOM 1054 C ASN A 75 19.116 0.558 11.728 1.00 5.17 C ATOM 1055 O ASN A 75 19.721 0.828 10.689 1.00 5.23 O ATOM 1056 CB ASN A 75 16.763 0.402 10.927 1.00 6.23 C ATOM 1057 CG ASN A 75 16.719 -1.110 11.069 1.00 6.80 C ATOM 1058 OD1 ASN A 75 16.860 -1.650 12.169 1.00 6.88 O ATOM 1059 ND2 ASN A 75 16.535 -1.803 9.955 1.00 7.51 N ATOM 0 H ASN A 75 18.458 2.887 11.273 1.00 5.42 H new ATOM 0 HA ASN A 75 17.360 0.791 12.944 1.00 5.53 H new ATOM 0 HB2 ASN A 75 15.758 0.805 11.052 1.00 6.23 H new ATOM 0 HB3 ASN A 75 17.087 0.660 9.919 1.00 6.23 H new ATOM 0 HD21 ASN A 75 16.506 -2.822 9.987 1.00 7.51 H new ATOM 0 HD22 ASN A 75 16.423 -1.317 9.065 1.00 7.51 H new ATOM 1066 N GLN A 76 19.648 -0.147 12.705 1.00 5.05 N ATOM 1067 CA GLN A 76 20.998 -0.652 12.600 1.00 4.93 C ATOM 1068 C GLN A 76 21.005 -1.912 11.744 1.00 4.67 C ATOM 1069 O GLN A 76 20.131 -2.769 11.886 1.00 4.88 O ATOM 1070 CB GLN A 76 21.574 -0.950 13.983 1.00 5.47 C ATOM 1071 CG GLN A 76 23.075 -1.180 13.970 1.00 5.74 C ATOM 1072 CD GLN A 76 23.619 -1.621 15.313 1.00 6.61 C ATOM 1073 OE1 GLN A 76 24.768 -1.332 15.656 1.00 7.14 O ATOM 1074 NE2 GLN A 76 22.806 -2.326 16.084 1.00 7.04 N ATOM 0 H GLN A 76 19.169 -0.381 13.574 1.00 5.05 H new ATOM 0 HA GLN A 76 21.622 0.108 12.130 1.00 4.93 H new ATOM 0 HB2 GLN A 76 21.346 -0.119 14.651 1.00 5.47 H new ATOM 0 HB3 GLN A 76 21.081 -1.832 14.392 1.00 5.47 H new ATOM 0 HG2 GLN A 76 23.315 -1.935 13.222 1.00 5.74 H new ATOM 0 HG3 GLN A 76 23.575 -0.260 13.666 1.00 5.74 H new ATOM 0 HE21 GLN A 76 21.862 -2.545 15.765 1.00 7.04 H new ATOM 0 HE22 GLN A 76 23.123 -2.650 16.997 1.00 7.04 H new ATOM 1083 N PRO A 77 21.981 -2.017 10.830 1.00 4.45 N ATOM 1084 CA PRO A 77 22.127 -3.162 9.926 1.00 4.52 C ATOM 1085 C PRO A 77 22.163 -4.506 10.645 1.00 5.11 C ATOM 1086 O PRO A 77 22.464 -4.585 11.839 1.00 5.41 O ATOM 1087 CB PRO A 77 23.478 -2.909 9.276 1.00 4.27 C ATOM 1088 CG PRO A 77 23.618 -1.443 9.290 1.00 4.17 C ATOM 1089 CD PRO A 77 23.032 -1.012 10.596 1.00 4.44 C ATOM 0 HA PRO A 77 21.283 -3.230 9.240 1.00 4.52 H new ATOM 0 HB2 PRO A 77 24.283 -3.391 9.831 1.00 4.27 H new ATOM 0 HB3 PRO A 77 23.511 -3.302 8.260 1.00 4.27 H new ATOM 0 HG2 PRO A 77 24.663 -1.145 9.209 1.00 4.17 H new ATOM 0 HG3 PRO A 77 23.091 -0.988 8.451 1.00 4.17 H new ATOM 0 HD2 PRO A 77 23.776 -1.012 11.393 1.00 4.44 H new ATOM 0 HD3 PRO A 77 22.622 -0.003 10.542 1.00 4.44 H new ATOM 1097 N PRO A 78 21.895 -5.584 9.899 1.00 5.63 N ATOM 1098 CA PRO A 78 21.877 -6.936 10.439 1.00 6.52 C ATOM 1099 C PRO A 78 23.266 -7.368 10.884 1.00 6.80 C ATOM 1100 O PRO A 78 24.171 -7.523 10.064 1.00 6.74 O ATOM 1101 CB PRO A 78 21.384 -7.787 9.265 1.00 7.14 C ATOM 1102 CG PRO A 78 21.748 -6.998 8.060 1.00 6.55 C ATOM 1103 CD PRO A 78 21.610 -5.565 8.458 1.00 5.69 C ATOM 0 HA PRO A 78 21.246 -7.029 11.323 1.00 6.52 H new ATOM 0 HB2 PRO A 78 21.860 -8.767 9.257 1.00 7.14 H new ATOM 0 HB3 PRO A 78 20.309 -7.955 9.320 1.00 7.14 H new ATOM 0 HG2 PRO A 78 22.766 -7.219 7.740 1.00 6.55 H new ATOM 0 HG3 PRO A 78 21.092 -7.237 7.223 1.00 6.55 H new ATOM 0 HD2 PRO A 78 22.311 -4.929 7.918 1.00 5.69 H new ATOM 0 HD3 PRO A 78 20.610 -5.185 8.251 1.00 5.69 H new ATOM 1111 N GLU A 79 23.423 -7.540 12.187 1.00 7.24 N ATOM 1112 CA GLU A 79 24.692 -7.929 12.780 1.00 7.85 C ATOM 1113 C GLU A 79 25.207 -9.227 12.170 1.00 8.62 C ATOM 1114 O GLU A 79 26.412 -9.460 12.130 1.00 8.98 O ATOM 1115 CB GLU A 79 24.526 -8.076 14.285 1.00 8.51 C ATOM 1116 CG GLU A 79 23.511 -9.132 14.676 1.00 9.18 C ATOM 1117 CD GLU A 79 22.864 -8.860 16.013 1.00 9.68 C ATOM 1118 OE1 GLU A 79 21.833 -8.155 16.046 1.00 9.76 O ATOM 1119 OE2 GLU A 79 23.369 -9.360 17.037 1.00 10.13 O ATOM 0 H GLU A 79 22.671 -7.413 12.865 1.00 7.24 H new ATOM 0 HA GLU A 79 25.427 -7.152 12.573 1.00 7.85 H new ATOM 0 HB2 GLU A 79 25.490 -8.327 14.727 1.00 8.51 H new ATOM 0 HB3 GLU A 79 24.223 -7.117 14.705 1.00 8.51 H new ATOM 0 HG2 GLU A 79 22.738 -9.188 13.909 1.00 9.18 H new ATOM 0 HG3 GLU A 79 24.001 -10.105 14.706 1.00 9.18 H new ATOM 1126 N GLU A 80 24.291 -10.056 11.693 1.00 9.00 N ATOM 1127 CA GLU A 80 24.652 -11.249 10.951 1.00 9.80 C ATOM 1128 C GLU A 80 25.469 -10.874 9.724 1.00 9.30 C ATOM 1129 O GLU A 80 26.572 -11.372 9.518 1.00 9.74 O ATOM 1130 CB GLU A 80 23.381 -11.997 10.535 1.00 10.33 C ATOM 1131 CG GLU A 80 23.516 -12.760 9.226 1.00 10.80 C ATOM 1132 CD GLU A 80 22.214 -13.373 8.765 1.00 11.40 C ATOM 1133 OE1 GLU A 80 21.423 -12.677 8.096 1.00 11.61 O ATOM 1134 OE2 GLU A 80 21.972 -14.556 9.065 1.00 11.78 O ATOM 0 H GLU A 80 23.287 -9.921 11.809 1.00 9.00 H new ATOM 0 HA GLU A 80 25.257 -11.898 11.584 1.00 9.80 H new ATOM 0 HB2 GLU A 80 23.107 -12.696 11.325 1.00 10.33 H new ATOM 0 HB3 GLU A 80 22.563 -11.282 10.445 1.00 10.33 H new ATOM 0 HG2 GLU A 80 23.887 -12.085 8.455 1.00 10.80 H new ATOM 0 HG3 GLU A 80 24.260 -13.547 9.345 1.00 10.80 H new ATOM 1141 N ILE A 81 24.929 -9.968 8.931 1.00 8.42 N ATOM 1142 CA ILE A 81 25.543 -9.604 7.675 1.00 7.96 C ATOM 1143 C ILE A 81 26.765 -8.733 7.878 1.00 7.34 C ATOM 1144 O ILE A 81 27.774 -8.928 7.204 1.00 7.45 O ATOM 1145 CB ILE A 81 24.550 -8.898 6.746 1.00 7.44 C ATOM 1146 CG1 ILE A 81 23.456 -9.873 6.314 1.00 8.39 C ATOM 1147 CG2 ILE A 81 25.281 -8.325 5.549 1.00 6.94 C ATOM 1148 CD1 ILE A 81 22.395 -9.233 5.451 1.00 8.28 C ATOM 0 H ILE A 81 24.063 -9.471 9.138 1.00 8.42 H new ATOM 0 HA ILE A 81 25.859 -10.535 7.204 1.00 7.96 H new ATOM 0 HB ILE A 81 24.076 -8.074 7.279 1.00 7.44 H new ATOM 0 HG12 ILE A 81 23.910 -10.699 5.767 1.00 8.39 H new ATOM 0 HG13 ILE A 81 22.986 -10.298 7.201 1.00 8.39 H new ATOM 0 HG21 ILE A 81 24.569 -7.825 4.893 1.00 6.94 H new ATOM 0 HG22 ILE A 81 26.028 -7.607 5.888 1.00 6.94 H new ATOM 0 HG23 ILE A 81 25.773 -9.130 5.003 1.00 6.94 H new ATOM 0 HD11 ILE A 81 21.648 -9.979 5.179 1.00 8.28 H new ATOM 0 HD12 ILE A 81 21.916 -8.425 6.003 1.00 8.28 H new ATOM 0 HD13 ILE A 81 22.854 -8.833 4.547 1.00 8.28 H new ATOM 1160 N VAL A 82 26.694 -7.786 8.807 1.00 6.83 N ATOM 1161 CA VAL A 82 27.845 -6.945 9.085 1.00 6.55 C ATOM 1162 C VAL A 82 29.024 -7.836 9.452 1.00 7.54 C ATOM 1163 O VAL A 82 30.157 -7.587 9.049 1.00 7.57 O ATOM 1164 CB VAL A 82 27.580 -5.919 10.210 1.00 6.32 C ATOM 1165 CG1 VAL A 82 26.351 -5.084 9.905 1.00 5.50 C ATOM 1166 CG2 VAL A 82 27.441 -6.595 11.560 1.00 7.25 C ATOM 0 H VAL A 82 25.867 -7.586 9.369 1.00 6.83 H new ATOM 0 HA VAL A 82 28.064 -6.367 8.187 1.00 6.55 H new ATOM 0 HB VAL A 82 28.445 -5.257 10.256 1.00 6.32 H new ATOM 0 HG11 VAL A 82 26.187 -4.370 10.712 1.00 5.50 H new ATOM 0 HG12 VAL A 82 26.500 -4.546 8.969 1.00 5.50 H new ATOM 0 HG13 VAL A 82 25.482 -5.735 9.814 1.00 5.50 H new ATOM 0 HG21 VAL A 82 27.255 -5.842 12.326 1.00 7.25 H new ATOM 0 HG22 VAL A 82 26.608 -7.297 11.531 1.00 7.25 H new ATOM 0 HG23 VAL A 82 28.360 -7.132 11.794 1.00 7.25 H new ATOM 1176 N ALA A 83 28.707 -8.901 10.186 1.00 8.43 N ATOM 1177 CA ALA A 83 29.665 -9.923 10.568 1.00 9.53 C ATOM 1178 C ALA A 83 30.245 -10.600 9.334 1.00 9.70 C ATOM 1179 O ALA A 83 31.459 -10.739 9.203 1.00 10.09 O ATOM 1180 CB ALA A 83 28.964 -10.942 11.448 1.00 10.39 C ATOM 0 H ALA A 83 27.764 -9.076 10.534 1.00 8.43 H new ATOM 0 HA ALA A 83 30.488 -9.465 11.117 1.00 9.53 H new ATOM 0 HB1 ALA A 83 29.672 -11.716 11.743 1.00 10.39 H new ATOM 0 HB2 ALA A 83 28.575 -10.448 12.338 1.00 10.39 H new ATOM 0 HB3 ALA A 83 28.141 -11.395 10.896 1.00 10.39 H new ATOM 1186 N ILE A 84 29.368 -11.004 8.427 1.00 9.53 N ATOM 1187 CA ILE A 84 29.777 -11.662 7.193 1.00 9.80 C ATOM 1188 C ILE A 84 30.673 -10.749 6.364 1.00 9.04 C ATOM 1189 O ILE A 84 31.697 -11.176 5.842 1.00 9.43 O ATOM 1190 CB ILE A 84 28.544 -12.067 6.358 1.00 9.84 C ATOM 1191 CG1 ILE A 84 27.713 -13.099 7.118 1.00 10.78 C ATOM 1192 CG2 ILE A 84 28.968 -12.615 5.003 1.00 10.13 C ATOM 1193 CD1 ILE A 84 26.241 -13.056 6.797 1.00 10.71 C ATOM 0 H ILE A 84 28.359 -10.887 8.523 1.00 9.53 H new ATOM 0 HA ILE A 84 30.336 -12.558 7.464 1.00 9.80 H new ATOM 0 HB ILE A 84 27.933 -11.181 6.188 1.00 9.84 H new ATOM 0 HG12 ILE A 84 28.095 -14.095 6.893 1.00 10.78 H new ATOM 0 HG13 ILE A 84 27.846 -12.941 8.188 1.00 10.78 H new ATOM 0 HG21 ILE A 84 28.083 -12.894 4.431 1.00 10.13 H new ATOM 0 HG22 ILE A 84 29.525 -11.852 4.460 1.00 10.13 H new ATOM 0 HG23 ILE A 84 29.599 -13.492 5.147 1.00 10.13 H new ATOM 0 HD11 ILE A 84 25.720 -13.818 7.376 1.00 10.71 H new ATOM 0 HD12 ILE A 84 25.842 -12.073 7.049 1.00 10.71 H new ATOM 0 HD13 ILE A 84 26.095 -13.245 5.734 1.00 10.71 H new ATOM 1205 N ILE A 85 30.288 -9.483 6.275 1.00 8.01 N ATOM 1206 CA ILE A 85 31.021 -8.510 5.487 1.00 7.27 C ATOM 1207 C ILE A 85 32.428 -8.294 6.031 1.00 7.66 C ATOM 1208 O ILE A 85 33.398 -8.273 5.272 1.00 7.73 O ATOM 1209 CB ILE A 85 30.269 -7.172 5.440 1.00 6.22 C ATOM 1210 CG1 ILE A 85 28.895 -7.383 4.809 1.00 6.07 C ATOM 1211 CG2 ILE A 85 31.068 -6.133 4.668 1.00 5.61 C ATOM 1212 CD1 ILE A 85 27.990 -6.178 4.893 1.00 5.25 C ATOM 0 H ILE A 85 29.464 -9.107 6.745 1.00 8.01 H new ATOM 0 HA ILE A 85 31.104 -8.908 4.476 1.00 7.27 H new ATOM 0 HB ILE A 85 30.138 -6.799 6.456 1.00 6.22 H new ATOM 0 HG12 ILE A 85 29.025 -7.655 3.761 1.00 6.07 H new ATOM 0 HG13 ILE A 85 28.407 -8.226 5.298 1.00 6.07 H new ATOM 0 HG21 ILE A 85 30.517 -5.193 4.647 1.00 5.61 H new ATOM 0 HG22 ILE A 85 32.031 -5.979 5.155 1.00 5.61 H new ATOM 0 HG23 ILE A 85 31.229 -6.482 3.648 1.00 5.61 H new ATOM 0 HD11 ILE A 85 27.034 -6.408 4.423 1.00 5.25 H new ATOM 0 HD12 ILE A 85 27.827 -5.918 5.939 1.00 5.25 H new ATOM 0 HD13 ILE A 85 28.455 -5.337 4.378 1.00 5.25 H new ATOM 1224 N THR A 86 32.550 -8.146 7.338 1.00 8.07 N ATOM 1225 CA THR A 86 33.866 -7.990 7.940 1.00 8.77 C ATOM 1226 C THR A 86 34.637 -9.314 7.922 1.00 9.82 C ATOM 1227 O THR A 86 35.865 -9.332 8.001 1.00 10.38 O ATOM 1228 CB THR A 86 33.820 -7.366 9.362 1.00 9.14 C ATOM 1229 OG1 THR A 86 35.102 -7.445 9.995 1.00 10.16 O ATOM 1230 CG2 THR A 86 32.767 -8.003 10.241 1.00 9.36 C ATOM 0 H THR A 86 31.770 -8.130 7.995 1.00 8.07 H new ATOM 0 HA THR A 86 34.408 -7.273 7.323 1.00 8.77 H new ATOM 0 HB THR A 86 33.547 -6.319 9.233 1.00 9.14 H new ATOM 0 HG1 THR A 86 35.784 -7.066 9.402 1.00 10.16 H new ATOM 0 HG21 THR A 86 32.778 -7.530 11.223 1.00 9.36 H new ATOM 0 HG22 THR A 86 31.785 -7.872 9.786 1.00 9.36 H new ATOM 0 HG23 THR A 86 32.978 -9.067 10.349 1.00 9.36 H new ATOM 1238 N SER A 87 33.914 -10.422 7.790 1.00 10.16 N ATOM 1239 CA SER A 87 34.544 -11.724 7.603 1.00 11.17 C ATOM 1240 C SER A 87 34.973 -11.909 6.141 1.00 10.93 C ATOM 1241 O SER A 87 35.781 -12.783 5.827 1.00 11.68 O ATOM 1242 CB SER A 87 33.593 -12.837 8.032 1.00 11.77 C ATOM 1243 OG SER A 87 33.231 -12.692 9.396 1.00 12.35 O ATOM 0 H SER A 87 32.894 -10.444 7.809 1.00 10.16 H new ATOM 0 HA SER A 87 35.436 -11.773 8.227 1.00 11.17 H new ATOM 0 HB2 SER A 87 32.698 -12.817 7.410 1.00 11.77 H new ATOM 0 HB3 SER A 87 34.067 -13.806 7.878 1.00 11.77 H new ATOM 0 HG SER A 87 32.785 -11.829 9.526 1.00 12.35 H new ATOM 1249 N MET A 88 34.421 -11.083 5.253 1.00 9.91 N ATOM 1250 CA MET A 88 34.825 -11.072 3.846 1.00 9.62 C ATOM 1251 C MET A 88 36.178 -10.397 3.701 1.00 9.52 C ATOM 1252 O MET A 88 36.918 -10.646 2.750 1.00 9.66 O ATOM 1253 CB MET A 88 33.804 -10.328 2.978 1.00 8.63 C ATOM 1254 CG MET A 88 32.463 -11.033 2.848 1.00 8.93 C ATOM 1255 SD MET A 88 32.610 -12.676 2.121 1.00 10.15 S ATOM 1256 CE MET A 88 33.289 -12.273 0.512 1.00 10.33 C ATOM 0 H MET A 88 33.690 -10.410 5.484 1.00 9.91 H new ATOM 0 HA MET A 88 34.883 -12.107 3.510 1.00 9.62 H new ATOM 0 HB2 MET A 88 33.641 -9.336 3.399 1.00 8.63 H new ATOM 0 HB3 MET A 88 34.225 -10.186 1.983 1.00 8.63 H new ATOM 0 HG2 MET A 88 32.003 -11.116 3.833 1.00 8.93 H new ATOM 0 HG3 MET A 88 31.796 -10.427 2.235 1.00 8.93 H new ATOM 0 HE1 MET A 88 33.175 -13.127 -0.155 1.00 10.33 H new ATOM 0 HE2 MET A 88 32.759 -11.416 0.098 1.00 10.33 H new ATOM 0 HE3 MET A 88 34.347 -12.031 0.614 1.00 10.33 H new ATOM 1266 N GLY A 89 36.475 -9.531 4.655 1.00 9.41 N ATOM 1267 CA GLY A 89 37.710 -8.779 4.633 1.00 9.53 C ATOM 1268 C GLY A 89 37.476 -7.307 4.902 1.00 8.82 C ATOM 1269 O GLY A 89 38.418 -6.518 4.959 1.00 9.04 O ATOM 0 H GLY A 89 35.874 -9.334 5.455 1.00 9.41 H new ATOM 0 HA2 GLY A 89 38.394 -9.181 5.380 1.00 9.53 H new ATOM 0 HA3 GLY A 89 38.192 -8.899 3.663 1.00 9.53 H new ATOM 1273 N PHE A 90 36.211 -6.939 5.063 1.00 8.10 N ATOM 1274 CA PHE A 90 35.838 -5.557 5.313 1.00 7.50 C ATOM 1275 C PHE A 90 35.709 -5.300 6.810 1.00 8.05 C ATOM 1276 O PHE A 90 36.042 -6.159 7.625 1.00 8.89 O ATOM 1277 CB PHE A 90 34.528 -5.245 4.579 1.00 6.45 C ATOM 1278 CG PHE A 90 34.649 -5.430 3.091 1.00 6.07 C ATOM 1279 CD1 PHE A 90 35.668 -4.812 2.384 1.00 6.07 C ATOM 1280 CD2 PHE A 90 33.757 -6.240 2.404 1.00 5.98 C ATOM 1281 CE1 PHE A 90 35.794 -4.993 1.020 1.00 5.89 C ATOM 1282 CE2 PHE A 90 33.878 -6.424 1.040 1.00 5.84 C ATOM 1283 CZ PHE A 90 34.897 -5.801 0.346 1.00 5.76 C ATOM 0 H PHE A 90 35.423 -7.585 5.024 1.00 8.10 H new ATOM 0 HA PHE A 90 36.617 -4.896 4.934 1.00 7.50 H new ATOM 0 HB2 PHE A 90 33.738 -5.892 4.960 1.00 6.45 H new ATOM 0 HB3 PHE A 90 34.230 -4.218 4.792 1.00 6.45 H new ATOM 0 HD1 PHE A 90 36.372 -4.181 2.906 1.00 6.07 H new ATOM 0 HD2 PHE A 90 32.959 -6.732 2.941 1.00 5.98 H new ATOM 0 HE1 PHE A 90 36.592 -4.504 0.481 1.00 5.89 H new ATOM 0 HE2 PHE A 90 33.176 -7.055 0.516 1.00 5.84 H new ATOM 0 HZ PHE A 90 34.993 -5.945 -0.720 1.00 5.76 H new ATOM 1293 N GLN A 91 35.251 -4.114 7.162 1.00 7.71 N ATOM 1294 CA GLN A 91 35.046 -3.750 8.550 1.00 8.28 C ATOM 1295 C GLN A 91 33.564 -3.863 8.897 1.00 7.66 C ATOM 1296 O GLN A 91 32.721 -3.605 8.042 1.00 6.72 O ATOM 1297 CB GLN A 91 35.548 -2.318 8.768 1.00 8.59 C ATOM 1298 CG GLN A 91 35.299 -1.777 10.160 1.00 9.30 C ATOM 1299 CD GLN A 91 35.735 -0.331 10.318 1.00 9.79 C ATOM 1300 OE1 GLN A 91 35.153 0.419 11.098 1.00 10.05 O ATOM 1301 NE2 GLN A 91 36.763 0.071 9.584 1.00 10.16 N ATOM 0 H GLN A 91 35.012 -3.379 6.497 1.00 7.71 H new ATOM 0 HA GLN A 91 35.602 -4.424 9.201 1.00 8.28 H new ATOM 0 HB2 GLN A 91 36.618 -2.285 8.564 1.00 8.59 H new ATOM 0 HB3 GLN A 91 35.065 -1.662 8.044 1.00 8.59 H new ATOM 0 HG2 GLN A 91 34.237 -1.858 10.392 1.00 9.30 H new ATOM 0 HG3 GLN A 91 35.831 -2.393 10.885 1.00 9.30 H new ATOM 0 HE21 GLN A 91 37.221 -0.581 8.947 1.00 10.16 H new ATOM 0 HE22 GLN A 91 37.096 1.032 9.656 1.00 10.16 H new ATOM 1310 N ARG A 92 33.241 -4.259 10.125 1.00 8.25 N ATOM 1311 CA ARG A 92 31.844 -4.384 10.544 1.00 7.79 C ATOM 1312 C ARG A 92 31.117 -3.056 10.388 1.00 7.08 C ATOM 1313 O ARG A 92 30.052 -2.986 9.789 1.00 6.21 O ATOM 1314 CB ARG A 92 31.736 -4.819 11.998 1.00 8.69 C ATOM 1315 CG ARG A 92 30.297 -4.950 12.445 1.00 8.30 C ATOM 1316 CD ARG A 92 30.127 -4.620 13.912 1.00 8.98 C ATOM 1317 NE ARG A 92 30.828 -5.570 14.773 1.00 10.14 N ATOM 1318 CZ ARG A 92 31.253 -5.292 16.007 1.00 10.93 C ATOM 1319 NH1 ARG A 92 31.026 -4.093 16.536 1.00 10.74 N ATOM 1320 NH2 ARG A 92 31.901 -6.218 16.710 1.00 11.98 N ATOM 0 H ARG A 92 33.922 -4.498 10.846 1.00 8.25 H new ATOM 0 HA ARG A 92 31.387 -5.141 9.906 1.00 7.79 H new ATOM 0 HB2 ARG A 92 32.245 -5.774 12.129 1.00 8.69 H new ATOM 0 HB3 ARG A 92 32.248 -4.095 12.632 1.00 8.69 H new ATOM 0 HG2 ARG A 92 29.670 -4.286 11.849 1.00 8.30 H new ATOM 0 HG3 ARG A 92 29.951 -5.967 12.260 1.00 8.30 H new ATOM 0 HD2 ARG A 92 30.501 -3.614 14.103 1.00 8.98 H new ATOM 0 HD3 ARG A 92 29.066 -4.619 14.162 1.00 8.98 H new ATOM 0 HE ARG A 92 31.004 -6.506 14.407 1.00 10.14 H new ATOM 0 HH11 ARG A 92 30.526 -3.385 15.998 1.00 10.74 H new ATOM 0 HH12 ARG A 92 31.351 -3.882 17.479 1.00 10.74 H new ATOM 0 HH21 ARG A 92 32.072 -7.139 16.305 1.00 11.98 H new ATOM 0 HH22 ARG A 92 32.227 -6.007 17.653 1.00 11.98 H new ATOM 1334 N ASN A 93 31.700 -2.015 10.957 1.00 7.66 N ATOM 1335 CA ASN A 93 31.140 -0.669 10.873 1.00 7.40 C ATOM 1336 C ASN A 93 30.998 -0.233 9.421 1.00 6.66 C ATOM 1337 O ASN A 93 30.029 0.428 9.047 1.00 6.20 O ATOM 1338 CB ASN A 93 32.033 0.309 11.627 1.00 8.50 C ATOM 1339 CG ASN A 93 31.487 1.722 11.617 1.00 8.62 C ATOM 1340 OD1 ASN A 93 30.276 1.934 11.651 1.00 8.59 O ATOM 1341 ND2 ASN A 93 32.375 2.702 11.567 1.00 9.02 N ATOM 0 H ASN A 93 32.569 -2.073 11.488 1.00 7.66 H new ATOM 0 HA ASN A 93 30.149 -0.676 11.327 1.00 7.40 H new ATOM 0 HB2 ASN A 93 32.144 -0.027 12.658 1.00 8.50 H new ATOM 0 HB3 ASN A 93 33.028 0.305 11.182 1.00 8.50 H new ATOM 0 HD21 ASN A 93 32.063 3.673 11.556 1.00 9.02 H new ATOM 0 HD22 ASN A 93 33.372 2.486 11.540 1.00 9.02 H new ATOM 1348 N GLN A 94 31.968 -0.622 8.609 1.00 6.68 N ATOM 1349 CA GLN A 94 31.925 -0.358 7.181 1.00 6.08 C ATOM 1350 C GLN A 94 30.777 -1.128 6.551 1.00 5.11 C ATOM 1351 O GLN A 94 30.076 -0.629 5.669 1.00 4.70 O ATOM 1352 CB GLN A 94 33.263 -0.738 6.549 1.00 6.39 C ATOM 1353 CG GLN A 94 33.224 -0.916 5.043 1.00 5.72 C ATOM 1354 CD GLN A 94 34.545 -0.558 4.392 1.00 6.13 C ATOM 1355 OE1 GLN A 94 34.777 0.595 4.033 1.00 6.28 O ATOM 1356 NE2 GLN A 94 35.422 -1.536 4.238 1.00 6.56 N ATOM 0 H GLN A 94 32.800 -1.125 8.918 1.00 6.68 H new ATOM 0 HA GLN A 94 31.755 0.704 7.006 1.00 6.08 H new ATOM 0 HB2 GLN A 94 33.996 0.032 6.792 1.00 6.39 H new ATOM 0 HB3 GLN A 94 33.613 -1.665 7.002 1.00 6.39 H new ATOM 0 HG2 GLN A 94 32.973 -1.950 4.807 1.00 5.72 H new ATOM 0 HG3 GLN A 94 32.434 -0.292 4.625 1.00 5.72 H new ATOM 0 HE21 GLN A 94 35.193 -2.480 4.549 1.00 6.56 H new ATOM 0 HE22 GLN A 94 36.327 -1.346 3.809 1.00 6.56 H new ATOM 1365 N ALA A 95 30.578 -2.341 7.038 1.00 5.10 N ATOM 1366 CA ALA A 95 29.469 -3.168 6.622 1.00 4.58 C ATOM 1367 C ALA A 95 28.140 -2.531 7.020 1.00 4.24 C ATOM 1368 O ALA A 95 27.168 -2.598 6.269 1.00 3.93 O ATOM 1369 CB ALA A 95 29.612 -4.543 7.246 1.00 5.22 C ATOM 0 H ALA A 95 31.184 -2.776 7.733 1.00 5.10 H new ATOM 0 HA ALA A 95 29.479 -3.262 5.536 1.00 4.58 H new ATOM 0 HB1 ALA A 95 28.778 -5.172 6.936 1.00 5.22 H new ATOM 0 HB2 ALA A 95 30.548 -4.995 6.919 1.00 5.22 H new ATOM 0 HB3 ALA A 95 29.613 -4.451 8.332 1.00 5.22 H new ATOM 1375 N ILE A 96 28.108 -1.911 8.203 1.00 4.61 N ATOM 1376 CA ILE A 96 26.916 -1.215 8.666 1.00 4.48 C ATOM 1377 C ILE A 96 26.514 -0.121 7.689 1.00 4.45 C ATOM 1378 O ILE A 96 25.391 -0.108 7.193 1.00 4.33 O ATOM 1379 CB ILE A 96 27.109 -0.598 10.081 1.00 5.19 C ATOM 1380 CG1 ILE A 96 26.824 -1.639 11.159 1.00 5.44 C ATOM 1381 CG2 ILE A 96 26.222 0.625 10.283 1.00 5.34 C ATOM 1382 CD1 ILE A 96 28.019 -1.967 12.017 1.00 6.39 C ATOM 0 H ILE A 96 28.894 -1.880 8.852 1.00 4.61 H new ATOM 0 HA ILE A 96 26.123 -1.961 8.725 1.00 4.48 H new ATOM 0 HB ILE A 96 28.147 -0.276 10.163 1.00 5.19 H new ATOM 0 HG12 ILE A 96 26.018 -1.277 11.797 1.00 5.44 H new ATOM 0 HG13 ILE A 96 26.468 -2.553 10.684 1.00 5.44 H new ATOM 0 HG21 ILE A 96 26.383 1.030 11.282 1.00 5.34 H new ATOM 0 HG22 ILE A 96 26.472 1.382 9.540 1.00 5.34 H new ATOM 0 HG23 ILE A 96 25.176 0.338 10.172 1.00 5.34 H new ATOM 0 HD11 ILE A 96 27.739 -2.714 12.760 1.00 6.39 H new ATOM 0 HD12 ILE A 96 28.820 -2.360 11.391 1.00 6.39 H new ATOM 0 HD13 ILE A 96 28.363 -1.064 12.522 1.00 6.39 H new ATOM 1394 N GLN A 97 27.453 0.757 7.382 1.00 4.95 N ATOM 1395 CA GLN A 97 27.189 1.876 6.486 1.00 5.42 C ATOM 1396 C GLN A 97 26.692 1.385 5.141 1.00 5.09 C ATOM 1397 O GLN A 97 25.725 1.911 4.586 1.00 5.57 O ATOM 1398 CB GLN A 97 28.448 2.693 6.290 1.00 6.13 C ATOM 1399 CG GLN A 97 28.259 3.888 5.377 1.00 6.88 C ATOM 1400 CD GLN A 97 29.472 4.798 5.344 1.00 7.78 C ATOM 1401 OE1 GLN A 97 29.743 5.454 4.339 1.00 8.13 O ATOM 1402 NE2 GLN A 97 30.211 4.842 6.443 1.00 8.36 N ATOM 0 H GLN A 97 28.408 0.719 7.739 1.00 4.95 H new ATOM 0 HA GLN A 97 26.417 2.498 6.939 1.00 5.42 H new ATOM 0 HB2 GLN A 97 28.801 3.040 7.261 1.00 6.13 H new ATOM 0 HB3 GLN A 97 29.227 2.051 5.879 1.00 6.13 H new ATOM 0 HG2 GLN A 97 28.045 3.538 4.367 1.00 6.88 H new ATOM 0 HG3 GLN A 97 27.391 4.459 5.707 1.00 6.88 H new ATOM 0 HE21 GLN A 97 29.951 4.282 7.255 1.00 8.36 H new ATOM 0 HE22 GLN A 97 31.040 5.436 6.477 1.00 8.36 H new ATOM 1411 N ALA A 98 27.355 0.360 4.641 1.00 4.57 N ATOM 1412 CA ALA A 98 26.997 -0.230 3.372 1.00 4.55 C ATOM 1413 C ALA A 98 25.561 -0.738 3.410 1.00 4.70 C ATOM 1414 O ALA A 98 24.747 -0.364 2.572 1.00 5.41 O ATOM 1415 CB ALA A 98 27.964 -1.351 3.032 1.00 4.17 C ATOM 0 H ALA A 98 28.151 -0.082 5.101 1.00 4.57 H new ATOM 0 HA ALA A 98 27.063 0.530 2.593 1.00 4.55 H new ATOM 0 HB1 ALA A 98 27.688 -1.791 2.074 1.00 4.17 H new ATOM 0 HB2 ALA A 98 28.976 -0.952 2.970 1.00 4.17 H new ATOM 0 HB3 ALA A 98 27.922 -2.115 3.808 1.00 4.17 H new ATOM 1421 N LEU A 99 25.244 -1.551 4.415 1.00 4.31 N ATOM 1422 CA LEU A 99 23.898 -2.091 4.566 1.00 4.67 C ATOM 1423 C LEU A 99 22.868 -0.986 4.768 1.00 5.10 C ATOM 1424 O LEU A 99 21.733 -1.113 4.338 1.00 5.77 O ATOM 1425 CB LEU A 99 23.828 -3.048 5.748 1.00 4.44 C ATOM 1426 CG LEU A 99 24.670 -4.309 5.622 1.00 4.61 C ATOM 1427 CD1 LEU A 99 24.740 -5.033 6.947 1.00 4.82 C ATOM 1428 CD2 LEU A 99 24.094 -5.223 4.567 1.00 5.40 C ATOM 0 H LEU A 99 25.901 -1.849 5.136 1.00 4.31 H new ATOM 0 HA LEU A 99 23.668 -2.625 3.644 1.00 4.67 H new ATOM 0 HB2 LEU A 99 24.139 -2.513 6.645 1.00 4.44 H new ATOM 0 HB3 LEU A 99 22.788 -3.340 5.895 1.00 4.44 H new ATOM 0 HG LEU A 99 25.678 -4.019 5.326 1.00 4.61 H new ATOM 0 HD11 LEU A 99 25.346 -5.932 6.839 1.00 4.82 H new ATOM 0 HD12 LEU A 99 25.190 -4.380 7.695 1.00 4.82 H new ATOM 0 HD13 LEU A 99 23.734 -5.309 7.264 1.00 4.82 H new ATOM 0 HD21 LEU A 99 24.708 -6.121 4.489 1.00 5.40 H new ATOM 0 HD22 LEU A 99 23.077 -5.502 4.843 1.00 5.40 H new ATOM 0 HD23 LEU A 99 24.081 -4.708 3.607 1.00 5.40 H new ATOM 1440 N ARG A 100 23.255 0.085 5.446 1.00 5.01 N ATOM 1441 CA ARG A 100 22.358 1.220 5.655 1.00 5.73 C ATOM 1442 C ARG A 100 21.896 1.790 4.324 1.00 6.63 C ATOM 1443 O ARG A 100 20.730 2.147 4.151 1.00 7.33 O ATOM 1444 CB ARG A 100 23.053 2.311 6.457 1.00 5.96 C ATOM 1445 CG ARG A 100 23.352 1.908 7.891 1.00 5.58 C ATOM 1446 CD ARG A 100 24.141 2.977 8.622 1.00 6.19 C ATOM 1447 NE ARG A 100 23.408 4.240 8.678 1.00 6.32 N ATOM 1448 CZ ARG A 100 23.715 5.250 9.489 1.00 7.08 C ATOM 1449 NH1 ARG A 100 24.827 5.216 10.217 1.00 7.71 N ATOM 1450 NH2 ARG A 100 22.920 6.312 9.542 1.00 7.36 N ATOM 0 H ARG A 100 24.180 0.195 5.861 1.00 5.01 H new ATOM 0 HA ARG A 100 21.491 0.863 6.211 1.00 5.73 H new ATOM 0 HB2 ARG A 100 23.986 2.578 5.961 1.00 5.96 H new ATOM 0 HB3 ARG A 100 22.427 3.203 6.461 1.00 5.96 H new ATOM 0 HG2 ARG A 100 22.417 1.721 8.419 1.00 5.58 H new ATOM 0 HG3 ARG A 100 23.913 0.974 7.897 1.00 5.58 H new ATOM 0 HD2 ARG A 100 24.363 2.639 9.634 1.00 6.19 H new ATOM 0 HD3 ARG A 100 25.097 3.132 8.121 1.00 6.19 H new ATOM 0 HE ARG A 100 22.609 4.355 8.055 1.00 6.32 H new ATOM 0 HH11 ARG A 100 25.452 4.412 10.156 1.00 7.71 H new ATOM 0 HH12 ARG A 100 25.055 5.994 10.836 1.00 7.71 H new ATOM 0 HH21 ARG A 100 22.081 6.350 8.964 1.00 7.36 H new ATOM 0 HH22 ARG A 100 23.149 7.090 10.161 1.00 7.36 H new ATOM 1464 N ALA A 101 22.827 1.871 3.395 1.00 6.70 N ATOM 1465 CA ALA A 101 22.548 2.373 2.063 1.00 7.62 C ATOM 1466 C ALA A 101 21.793 1.342 1.226 1.00 7.91 C ATOM 1467 O ALA A 101 20.903 1.690 0.447 1.00 8.88 O ATOM 1468 CB ALA A 101 23.858 2.742 1.398 1.00 7.61 C ATOM 0 H ALA A 101 23.797 1.591 3.541 1.00 6.70 H new ATOM 0 HA ALA A 101 21.910 3.254 2.141 1.00 7.62 H new ATOM 0 HB1 ALA A 101 23.663 3.121 0.395 1.00 7.61 H new ATOM 0 HB2 ALA A 101 24.360 3.511 1.985 1.00 7.61 H new ATOM 0 HB3 ALA A 101 24.495 1.860 1.335 1.00 7.61 H new ATOM 1474 N THR A 102 22.155 0.076 1.391 1.00 7.24 N ATOM 1475 CA THR A 102 21.585 -1.006 0.605 1.00 7.76 C ATOM 1476 C THR A 102 20.305 -1.570 1.219 1.00 8.12 C ATOM 1477 O THR A 102 19.711 -2.507 0.687 1.00 8.79 O ATOM 1478 CB THR A 102 22.623 -2.115 0.461 1.00 7.19 C ATOM 1479 OG1 THR A 102 22.846 -2.758 1.725 1.00 6.44 O ATOM 1480 CG2 THR A 102 23.910 -1.484 -0.023 1.00 6.79 C ATOM 0 H THR A 102 22.851 -0.227 2.073 1.00 7.24 H new ATOM 0 HA THR A 102 21.315 -0.601 -0.371 1.00 7.76 H new ATOM 0 HB THR A 102 22.271 -2.866 -0.246 1.00 7.19 H new ATOM 0 HG1 THR A 102 23.087 -3.696 1.577 1.00 6.44 H new ATOM 0 HG21 THR A 102 24.673 -2.254 -0.136 1.00 6.79 H new ATOM 0 HG22 THR A 102 23.739 -1.000 -0.984 1.00 6.79 H new ATOM 0 HG23 THR A 102 24.247 -0.743 0.702 1.00 6.79 H new ATOM 1488 N ASN A 103 19.896 -0.982 2.342 1.00 7.78 N ATOM 1489 CA ASN A 103 18.751 -1.453 3.118 1.00 8.03 C ATOM 1490 C ASN A 103 18.966 -2.890 3.570 1.00 7.69 C ATOM 1491 O ASN A 103 18.275 -3.810 3.134 1.00 8.43 O ATOM 1492 CB ASN A 103 17.457 -1.335 2.327 1.00 9.26 C ATOM 1493 CG ASN A 103 16.230 -1.532 3.198 1.00 9.66 C ATOM 1494 OD1 ASN A 103 16.216 -1.146 4.367 1.00 10.09 O ATOM 1495 ND2 ASN A 103 15.201 -2.147 2.646 1.00 9.74 N ATOM 0 H ASN A 103 20.352 -0.161 2.741 1.00 7.78 H new ATOM 0 HA ASN A 103 18.664 -0.817 3.999 1.00 8.03 H new ATOM 0 HB2 ASN A 103 17.411 -0.354 1.854 1.00 9.26 H new ATOM 0 HB3 ASN A 103 17.454 -2.075 1.526 1.00 9.26 H new ATOM 0 HD21 ASN A 103 14.356 -2.317 3.191 1.00 9.74 H new ATOM 0 HD22 ASN A 103 15.251 -2.452 1.674 1.00 9.74 H new ATOM 1502 N ASN A 104 19.971 -3.046 4.422 1.00 6.74 N ATOM 1503 CA ASN A 104 20.387 -4.333 5.001 1.00 6.57 C ATOM 1504 C ASN A 104 20.573 -5.421 3.941 1.00 7.31 C ATOM 1505 O ASN A 104 20.439 -6.610 4.230 1.00 7.80 O ATOM 1506 CB ASN A 104 19.437 -4.815 6.121 1.00 6.81 C ATOM 1507 CG ASN A 104 18.012 -5.104 5.677 1.00 7.28 C ATOM 1508 OD1 ASN A 104 17.131 -4.246 5.782 1.00 7.71 O ATOM 1509 ND2 ASN A 104 17.766 -6.312 5.193 1.00 7.45 N ATOM 0 H ASN A 104 20.540 -2.263 4.743 1.00 6.74 H new ATOM 0 HA ASN A 104 21.361 -4.147 5.455 1.00 6.57 H new ATOM 0 HB2 ASN A 104 19.853 -5.719 6.565 1.00 6.81 H new ATOM 0 HB3 ASN A 104 19.411 -4.058 6.905 1.00 6.81 H new ATOM 0 HD21 ASN A 104 16.823 -6.559 4.892 1.00 7.45 H new ATOM 0 HD22 ASN A 104 18.519 -6.996 5.121 1.00 7.45 H new ATOM 1516 N ASN A 105 20.918 -5.018 2.726 1.00 7.54 N ATOM 1517 CA ASN A 105 21.184 -5.975 1.663 1.00 8.24 C ATOM 1518 C ASN A 105 22.658 -6.340 1.675 1.00 7.62 C ATOM 1519 O ASN A 105 23.512 -5.520 1.340 1.00 6.99 O ATOM 1520 CB ASN A 105 20.809 -5.402 0.298 1.00 8.91 C ATOM 1521 CG ASN A 105 20.780 -6.473 -0.774 1.00 9.80 C ATOM 1522 OD1 ASN A 105 21.794 -6.766 -1.409 1.00 10.00 O ATOM 1523 ND2 ASN A 105 19.615 -7.063 -0.989 1.00 10.49 N ATOM 0 H ASN A 105 21.020 -4.040 2.453 1.00 7.54 H new ATOM 0 HA ASN A 105 20.576 -6.863 1.837 1.00 8.24 H new ATOM 0 HB2 ASN A 105 19.831 -4.924 0.361 1.00 8.91 H new ATOM 0 HB3 ASN A 105 21.525 -4.628 0.020 1.00 8.91 H new ATOM 0 HD21 ASN A 105 19.534 -7.788 -1.702 1.00 10.49 H new ATOM 0 HD22 ASN A 105 18.798 -6.792 -0.442 1.00 10.49 H new ATOM 1530 N LEU A 106 22.926 -7.579 2.079 1.00 7.99 N ATOM 1531 CA LEU A 106 24.283 -8.110 2.224 1.00 7.70 C ATOM 1532 C LEU A 106 25.104 -7.911 0.961 1.00 7.69 C ATOM 1533 O LEU A 106 26.157 -7.278 0.975 1.00 6.94 O ATOM 1534 CB LEU A 106 24.200 -9.610 2.549 1.00 8.64 C ATOM 1535 CG LEU A 106 25.535 -10.363 2.661 1.00 8.79 C ATOM 1536 CD1 LEU A 106 25.418 -11.473 3.686 1.00 9.54 C ATOM 1537 CD2 LEU A 106 25.938 -10.955 1.321 1.00 9.40 C ATOM 0 H LEU A 106 22.199 -8.253 2.319 1.00 7.99 H new ATOM 0 HA LEU A 106 24.777 -7.569 3.031 1.00 7.70 H new ATOM 0 HB2 LEU A 106 23.663 -9.726 3.491 1.00 8.64 H new ATOM 0 HB3 LEU A 106 23.600 -10.093 1.778 1.00 8.64 H new ATOM 0 HG LEU A 106 26.300 -9.652 2.974 1.00 8.79 H new ATOM 0 HD11 LEU A 106 26.368 -12.002 3.760 1.00 9.54 H new ATOM 0 HD12 LEU A 106 25.164 -11.047 4.656 1.00 9.54 H new ATOM 0 HD13 LEU A 106 24.638 -12.170 3.380 1.00 9.54 H new ATOM 0 HD21 LEU A 106 26.886 -11.483 1.427 1.00 9.40 H new ATOM 0 HD22 LEU A 106 25.170 -11.652 0.985 1.00 9.40 H new ATOM 0 HD23 LEU A 106 26.048 -10.156 0.588 1.00 9.40 H new ATOM 1549 N GLU A 107 24.610 -8.494 -0.116 1.00 8.63 N ATOM 1550 CA GLU A 107 25.268 -8.434 -1.417 1.00 8.84 C ATOM 1551 C GLU A 107 25.546 -7.005 -1.842 1.00 8.19 C ATOM 1552 O GLU A 107 26.675 -6.655 -2.183 1.00 7.74 O ATOM 1553 CB GLU A 107 24.399 -9.120 -2.459 1.00 10.06 C ATOM 1554 CG GLU A 107 24.280 -10.610 -2.244 1.00 10.88 C ATOM 1555 CD GLU A 107 25.459 -11.361 -2.816 1.00 11.25 C ATOM 1556 OE1 GLU A 107 25.745 -11.180 -4.019 1.00 11.82 O ATOM 1557 OE2 GLU A 107 26.095 -12.144 -2.077 1.00 11.09 O ATOM 0 H GLU A 107 23.739 -9.025 -0.118 1.00 8.63 H new ATOM 0 HA GLU A 107 26.226 -8.947 -1.333 1.00 8.84 H new ATOM 0 HB2 GLU A 107 23.404 -8.676 -2.442 1.00 10.06 H new ATOM 0 HB3 GLU A 107 24.815 -8.934 -3.449 1.00 10.06 H new ATOM 0 HG2 GLU A 107 24.202 -10.817 -1.177 1.00 10.88 H new ATOM 0 HG3 GLU A 107 23.361 -10.971 -2.707 1.00 10.88 H new ATOM 1564 N ARG A 108 24.515 -6.180 -1.814 1.00 8.29 N ATOM 1565 CA ARG A 108 24.646 -4.798 -2.233 1.00 8.02 C ATOM 1566 C ARG A 108 25.551 -4.024 -1.283 1.00 6.88 C ATOM 1567 O ARG A 108 26.155 -3.033 -1.674 1.00 6.69 O ATOM 1568 CB ARG A 108 23.289 -4.121 -2.304 1.00 8.62 C ATOM 1569 CG ARG A 108 23.294 -2.840 -3.107 1.00 8.99 C ATOM 1570 CD ARG A 108 21.942 -2.182 -3.044 1.00 9.70 C ATOM 1571 NE ARG A 108 20.955 -2.868 -3.875 1.00 10.72 N ATOM 1572 CZ ARG A 108 19.864 -2.285 -4.369 1.00 11.45 C ATOM 1573 NH1 ARG A 108 19.661 -0.983 -4.192 1.00 11.31 N ATOM 1574 NH2 ARG A 108 18.990 -2.999 -5.074 1.00 12.41 N ATOM 0 H ARG A 108 23.579 -6.443 -1.506 1.00 8.29 H new ATOM 0 HA ARG A 108 25.094 -4.799 -3.227 1.00 8.02 H new ATOM 0 HB2 ARG A 108 22.570 -4.812 -2.743 1.00 8.62 H new ATOM 0 HB3 ARG A 108 22.947 -3.905 -1.292 1.00 8.62 H new ATOM 0 HG2 ARG A 108 24.055 -2.162 -2.720 1.00 8.99 H new ATOM 0 HG3 ARG A 108 23.555 -3.053 -4.144 1.00 8.99 H new ATOM 0 HD2 ARG A 108 21.596 -2.165 -2.011 1.00 9.70 H new ATOM 0 HD3 ARG A 108 22.029 -1.145 -3.368 1.00 9.70 H new ATOM 0 HE ARG A 108 21.111 -3.853 -4.090 1.00 10.72 H new ATOM 0 HH11 ARG A 108 20.342 -0.426 -3.676 1.00 11.31 H new ATOM 0 HH12 ARG A 108 18.824 -0.541 -4.572 1.00 11.31 H new ATOM 0 HH21 ARG A 108 19.156 -3.992 -5.236 1.00 12.41 H new ATOM 0 HH22 ARG A 108 18.154 -2.553 -5.452 1.00 12.41 H new ATOM 1588 N ALA A 109 25.616 -4.448 -0.027 1.00 6.30 N ATOM 1589 CA ALA A 109 26.505 -3.822 0.930 1.00 5.34 C ATOM 1590 C ALA A 109 27.940 -4.001 0.476 1.00 5.09 C ATOM 1591 O ALA A 109 28.698 -3.047 0.384 1.00 4.76 O ATOM 1592 CB ALA A 109 26.335 -4.422 2.311 1.00 5.03 C ATOM 0 H ALA A 109 25.064 -5.220 0.347 1.00 6.30 H new ATOM 0 HA ALA A 109 26.258 -2.762 0.985 1.00 5.34 H new ATOM 0 HB1 ALA A 109 27.016 -3.932 3.007 1.00 5.03 H new ATOM 0 HB2 ALA A 109 25.308 -4.279 2.646 1.00 5.03 H new ATOM 0 HB3 ALA A 109 26.559 -5.488 2.275 1.00 5.03 H new ATOM 1598 N LEU A 110 28.290 -5.248 0.181 1.00 5.51 N ATOM 1599 CA LEU A 110 29.601 -5.579 -0.354 1.00 5.52 C ATOM 1600 C LEU A 110 29.818 -4.850 -1.671 1.00 5.67 C ATOM 1601 O LEU A 110 30.909 -4.375 -1.963 1.00 5.40 O ATOM 1602 CB LEU A 110 29.694 -7.083 -0.573 1.00 6.35 C ATOM 1603 CG LEU A 110 29.402 -7.930 0.660 1.00 6.65 C ATOM 1604 CD1 LEU A 110 29.064 -9.348 0.253 1.00 7.78 C ATOM 1605 CD2 LEU A 110 30.589 -7.916 1.601 1.00 6.44 C ATOM 0 H LEU A 110 27.675 -6.052 0.306 1.00 5.51 H new ATOM 0 HA LEU A 110 30.370 -5.270 0.354 1.00 5.52 H new ATOM 0 HB2 LEU A 110 28.997 -7.364 -1.363 1.00 6.35 H new ATOM 0 HB3 LEU A 110 30.695 -7.322 -0.931 1.00 6.35 H new ATOM 0 HG LEU A 110 28.544 -7.506 1.181 1.00 6.65 H new ATOM 0 HD11 LEU A 110 28.858 -9.943 1.143 1.00 7.78 H new ATOM 0 HD12 LEU A 110 28.185 -9.342 -0.391 1.00 7.78 H new ATOM 0 HD13 LEU A 110 29.906 -9.782 -0.286 1.00 7.78 H new ATOM 0 HD21 LEU A 110 30.366 -8.525 2.477 1.00 6.44 H new ATOM 0 HD22 LEU A 110 31.463 -8.321 1.090 1.00 6.44 H new ATOM 0 HD23 LEU A 110 30.793 -6.892 1.914 1.00 6.44 H new ATOM 1617 N ASP A 111 28.745 -4.774 -2.451 1.00 6.32 N ATOM 1618 CA ASP A 111 28.717 -3.999 -3.693 1.00 6.81 C ATOM 1619 C ASP A 111 29.126 -2.556 -3.421 1.00 6.41 C ATOM 1620 O ASP A 111 30.006 -1.994 -4.076 1.00 6.49 O ATOM 1621 CB ASP A 111 27.299 -3.992 -4.266 1.00 7.75 C ATOM 1622 CG ASP A 111 27.259 -3.621 -5.733 1.00 8.59 C ATOM 1623 OD1 ASP A 111 27.577 -4.485 -6.578 1.00 8.94 O ATOM 1624 OD2 ASP A 111 26.931 -2.461 -6.051 1.00 9.04 O ATOM 0 H ASP A 111 27.866 -5.248 -2.242 1.00 6.32 H new ATOM 0 HA ASP A 111 29.410 -4.456 -4.399 1.00 6.81 H new ATOM 0 HB2 ASP A 111 26.854 -4.978 -4.133 1.00 7.75 H new ATOM 0 HB3 ASP A 111 26.688 -3.288 -3.701 1.00 7.75 H new ATOM 1629 N TRP A 112 28.464 -1.979 -2.430 1.00 6.15 N ATOM 1630 CA TRP A 112 28.682 -0.606 -2.019 1.00 6.12 C ATOM 1631 C TRP A 112 30.100 -0.427 -1.500 1.00 5.57 C ATOM 1632 O TRP A 112 30.815 0.495 -1.897 1.00 5.97 O ATOM 1633 CB TRP A 112 27.672 -0.245 -0.934 1.00 6.03 C ATOM 1634 CG TRP A 112 27.644 1.219 -0.620 1.00 6.48 C ATOM 1635 CD1 TRP A 112 28.452 1.890 0.253 1.00 6.79 C ATOM 1636 CD2 TRP A 112 26.760 2.195 -1.180 1.00 7.05 C ATOM 1637 NE1 TRP A 112 28.131 3.224 0.264 1.00 7.45 N ATOM 1638 CE2 TRP A 112 27.090 3.436 -0.604 1.00 7.60 C ATOM 1639 CE3 TRP A 112 25.717 2.138 -2.111 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 26.420 4.611 -0.936 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 25.053 3.306 -2.439 1.00 8.25 C ATOM 1642 CH2 TRP A 112 25.404 4.526 -1.850 1.00 8.69 C ATOM 0 H TRP A 112 27.751 -2.461 -1.883 1.00 6.15 H new ATOM 0 HA TRP A 112 28.548 0.054 -2.876 1.00 6.12 H new ATOM 0 HB2 TRP A 112 26.678 -0.561 -1.251 1.00 6.03 H new ATOM 0 HB3 TRP A 112 27.909 -0.801 -0.027 1.00 6.03 H new ATOM 0 HD1 TRP A 112 29.231 1.436 0.848 1.00 6.79 H new ATOM 0 HE1 TRP A 112 28.591 3.941 0.826 1.00 7.45 H new ATOM 0 HE3 TRP A 112 25.436 1.199 -2.565 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 26.692 5.556 -0.488 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 24.251 3.276 -3.161 1.00 8.25 H new ATOM 0 HH2 TRP A 112 24.862 5.420 -2.122 1.00 8.69 H new ATOM 1653 N ILE A 113 30.499 -1.335 -0.626 1.00 4.92 N ATOM 1654 CA ILE A 113 31.819 -1.307 -0.027 1.00 4.71 C ATOM 1655 C ILE A 113 32.909 -1.458 -1.094 1.00 4.95 C ATOM 1656 O ILE A 113 33.923 -0.765 -1.062 1.00 5.25 O ATOM 1657 CB ILE A 113 31.959 -2.417 1.034 1.00 4.41 C ATOM 1658 CG1 ILE A 113 30.962 -2.187 2.176 1.00 4.22 C ATOM 1659 CG2 ILE A 113 33.381 -2.461 1.565 1.00 4.75 C ATOM 1660 CD1 ILE A 113 31.097 -3.160 3.320 1.00 4.30 C ATOM 0 H ILE A 113 29.916 -2.111 -0.313 1.00 4.92 H new ATOM 0 HA ILE A 113 31.944 -0.340 0.459 1.00 4.71 H new ATOM 0 HB ILE A 113 31.736 -3.378 0.570 1.00 4.41 H new ATOM 0 HG12 ILE A 113 31.092 -1.174 2.558 1.00 4.22 H new ATOM 0 HG13 ILE A 113 29.949 -2.250 1.778 1.00 4.22 H new ATOM 0 HG21 ILE A 113 33.466 -3.249 2.313 1.00 4.75 H new ATOM 0 HG22 ILE A 113 34.070 -2.664 0.745 1.00 4.75 H new ATOM 0 HG23 ILE A 113 33.630 -1.502 2.019 1.00 4.75 H new ATOM 0 HD11 ILE A 113 30.356 -2.928 4.085 1.00 4.30 H new ATOM 0 HD12 ILE A 113 30.937 -4.175 2.956 1.00 4.30 H new ATOM 0 HD13 ILE A 113 32.096 -3.082 3.748 1.00 4.30 H new ATOM 1672 N PHE A 114 32.672 -2.349 -2.053 1.00 5.07 N ATOM 1673 CA PHE A 114 33.621 -2.611 -3.136 1.00 5.37 C ATOM 1674 C PHE A 114 33.853 -1.362 -3.976 1.00 5.85 C ATOM 1675 O PHE A 114 34.908 -1.194 -4.586 1.00 6.10 O ATOM 1676 CB PHE A 114 33.088 -3.731 -4.030 1.00 5.75 C ATOM 1677 CG PHE A 114 34.071 -4.222 -5.056 1.00 6.09 C ATOM 1678 CD1 PHE A 114 35.105 -5.067 -4.689 1.00 6.17 C ATOM 1679 CD2 PHE A 114 33.961 -3.840 -6.383 1.00 6.53 C ATOM 1680 CE1 PHE A 114 36.010 -5.522 -5.625 1.00 6.62 C ATOM 1681 CE2 PHE A 114 34.865 -4.292 -7.326 1.00 6.91 C ATOM 1682 CZ PHE A 114 35.891 -5.134 -6.948 1.00 6.92 C ATOM 0 H PHE A 114 31.821 -2.909 -2.103 1.00 5.07 H new ATOM 0 HA PHE A 114 34.570 -2.910 -2.691 1.00 5.37 H new ATOM 0 HB2 PHE A 114 32.786 -4.569 -3.402 1.00 5.75 H new ATOM 0 HB3 PHE A 114 32.193 -3.377 -4.541 1.00 5.75 H new ATOM 0 HD1 PHE A 114 35.204 -5.373 -3.658 1.00 6.17 H new ATOM 0 HD2 PHE A 114 33.160 -3.181 -6.684 1.00 6.53 H new ATOM 0 HE1 PHE A 114 36.811 -6.181 -5.325 1.00 6.62 H new ATOM 0 HE2 PHE A 114 34.768 -3.987 -8.357 1.00 6.91 H new ATOM 0 HZ PHE A 114 36.599 -5.489 -7.682 1.00 6.92 H new ATOM 1692 N SER A 115 32.861 -0.489 -3.994 1.00 6.19 N ATOM 1693 CA SER A 115 32.937 0.745 -4.753 1.00 7.00 C ATOM 1694 C SER A 115 33.842 1.758 -4.050 1.00 7.20 C ATOM 1695 O SER A 115 34.061 2.867 -4.542 1.00 8.04 O ATOM 1696 CB SER A 115 31.530 1.295 -4.949 1.00 7.59 C ATOM 1697 OG SER A 115 30.722 0.385 -5.686 1.00 8.33 O ATOM 0 H SER A 115 31.986 -0.615 -3.486 1.00 6.19 H new ATOM 0 HA SER A 115 33.377 0.547 -5.731 1.00 7.00 H new ATOM 0 HB2 SER A 115 31.073 1.488 -3.978 1.00 7.59 H new ATOM 0 HB3 SER A 115 31.579 2.249 -5.473 1.00 7.59 H new ATOM 0 HG SER A 115 30.506 -0.389 -5.125 1.00 8.33 H new ATOM 1703 N HIS A 116 34.360 1.358 -2.897 1.00 6.66 N ATOM 1704 CA HIS A 116 35.358 2.126 -2.161 1.00 7.16 C ATOM 1705 C HIS A 116 36.394 1.158 -1.598 1.00 6.96 C ATOM 1706 O HIS A 116 36.416 0.866 -0.405 1.00 6.85 O ATOM 1707 CB HIS A 116 34.711 2.930 -1.025 1.00 7.29 C ATOM 1708 CG HIS A 116 33.778 4.002 -1.498 1.00 7.97 C ATOM 1709 ND1 HIS A 116 34.185 5.061 -2.276 1.00 8.77 N ATOM 1710 CD2 HIS A 116 32.448 4.169 -1.307 1.00 8.20 C ATOM 1711 CE1 HIS A 116 33.150 5.833 -2.543 1.00 9.41 C ATOM 1712 NE2 HIS A 116 32.081 5.315 -1.970 1.00 9.09 N ATOM 0 H HIS A 116 34.098 0.484 -2.441 1.00 6.66 H new ATOM 0 HA HIS A 116 35.834 2.837 -2.836 1.00 7.16 H new ATOM 0 HB2 HIS A 116 34.165 2.247 -0.375 1.00 7.29 H new ATOM 0 HB3 HIS A 116 35.496 3.385 -0.422 1.00 7.29 H new ATOM 0 HD1 HIS A 116 35.140 5.224 -2.597 1.00 8.77 H new ATOM 0 HD2 HIS A 116 31.797 3.522 -0.739 1.00 8.20 H new ATOM 0 HE1 HIS A 116 33.174 6.738 -3.132 1.00 9.41 H new ATOM 1721 N PRO A 117 37.266 0.660 -2.506 1.00 7.10 N ATOM 1722 CA PRO A 117 38.327 -0.326 -2.235 1.00 7.19 C ATOM 1723 C PRO A 117 39.030 -0.140 -0.899 1.00 7.86 C ATOM 1724 O PRO A 117 39.025 -1.026 -0.049 1.00 7.83 O ATOM 1725 CB PRO A 117 39.329 -0.070 -3.373 1.00 7.62 C ATOM 1726 CG PRO A 117 38.769 1.068 -4.166 1.00 7.92 C ATOM 1727 CD PRO A 117 37.299 1.031 -3.916 1.00 7.39 C ATOM 0 HA PRO A 117 37.913 -1.333 -2.187 1.00 7.19 H new ATOM 0 HB2 PRO A 117 40.314 0.177 -2.977 1.00 7.62 H new ATOM 0 HB3 PRO A 117 39.449 -0.957 -3.995 1.00 7.62 H new ATOM 0 HG2 PRO A 117 39.199 2.018 -3.849 1.00 7.92 H new ATOM 0 HG3 PRO A 117 38.991 0.956 -5.227 1.00 7.92 H new ATOM 0 HD2 PRO A 117 36.825 1.995 -4.100 1.00 7.39 H new ATOM 0 HD3 PRO A 117 36.792 0.301 -4.547 1.00 7.39 H new ATOM 1735 N GLU A 118 39.666 1.005 -0.751 1.00 8.68 N ATOM 1736 CA GLU A 118 40.388 1.358 0.455 1.00 9.57 C ATOM 1737 C GLU A 118 40.715 2.842 0.417 1.00 10.42 C ATOM 1738 O GLU A 118 40.432 3.591 1.351 1.00 10.88 O ATOM 1739 CB GLU A 118 41.667 0.527 0.583 1.00 10.14 C ATOM 1740 CG GLU A 118 42.493 0.470 -0.688 1.00 10.26 C ATOM 1741 CD GLU A 118 43.742 -0.369 -0.536 1.00 10.90 C ATOM 1742 OE1 GLU A 118 44.620 0.012 0.268 1.00 11.42 O ATOM 1743 OE2 GLU A 118 43.856 -1.407 -1.219 1.00 11.01 O ATOM 0 H GLU A 118 39.696 1.725 -1.473 1.00 8.68 H new ATOM 0 HA GLU A 118 39.767 1.145 1.325 1.00 9.57 H new ATOM 0 HB2 GLU A 118 42.279 0.941 1.384 1.00 10.14 H new ATOM 0 HB3 GLU A 118 41.401 -0.488 0.878 1.00 10.14 H new ATOM 0 HG2 GLU A 118 41.883 0.063 -1.495 1.00 10.26 H new ATOM 0 HG3 GLU A 118 42.774 1.482 -0.980 1.00 10.26 H new ATOM 1750 N PHE A 119 41.299 3.249 -0.697 1.00 10.70 N ATOM 1751 CA PHE A 119 41.581 4.643 -0.962 1.00 11.61 C ATOM 1752 C PHE A 119 41.299 4.908 -2.431 1.00 11.51 C ATOM 1753 O PHE A 119 42.026 5.634 -3.110 1.00 12.37 O ATOM 1754 CB PHE A 119 43.038 4.959 -0.604 1.00 12.63 C ATOM 1755 CG PHE A 119 43.355 6.426 -0.549 1.00 13.60 C ATOM 1756 CD1 PHE A 119 42.810 7.236 0.436 1.00 13.98 C ATOM 1757 CD2 PHE A 119 44.204 6.995 -1.481 1.00 14.22 C ATOM 1758 CE1 PHE A 119 43.106 8.584 0.487 1.00 14.97 C ATOM 1759 CE2 PHE A 119 44.502 8.342 -1.435 1.00 15.19 C ATOM 1760 CZ PHE A 119 43.930 9.142 -0.439 1.00 15.58 C ATOM 0 H PHE A 119 41.590 2.618 -1.443 1.00 10.70 H new ATOM 0 HA PHE A 119 40.950 5.289 -0.352 1.00 11.61 H new ATOM 0 HB2 PHE A 119 43.267 4.513 0.364 1.00 12.63 H new ATOM 0 HB3 PHE A 119 43.691 4.485 -1.337 1.00 12.63 H new ATOM 0 HD1 PHE A 119 42.146 6.807 1.172 1.00 13.98 H new ATOM 0 HD2 PHE A 119 44.639 6.378 -2.254 1.00 14.22 H new ATOM 0 HE1 PHE A 119 42.680 9.198 1.267 1.00 14.97 H new ATOM 0 HE2 PHE A 119 45.172 8.776 -2.163 1.00 15.19 H new ATOM 0 HZ PHE A 119 44.143 10.200 -0.406 1.00 15.58 H new ATOM 1770 N GLU A 120 40.242 4.254 -2.916 1.00 10.55 N ATOM 1771 CA GLU A 120 39.814 4.348 -4.304 1.00 10.48 C ATOM 1772 C GLU A 120 40.842 3.683 -5.214 1.00 10.99 C ATOM 1773 O GLU A 120 41.839 3.136 -4.735 1.00 11.40 O ATOM 1774 CB GLU A 120 39.563 5.798 -4.690 1.00 11.07 C ATOM 1775 CG GLU A 120 38.477 6.428 -3.842 1.00 10.59 C ATOM 1776 CD GLU A 120 37.102 5.867 -4.112 1.00 10.31 C ATOM 1777 OE1 GLU A 120 36.511 6.200 -5.156 1.00 10.23 O ATOM 1778 OE2 GLU A 120 36.598 5.116 -3.253 1.00 10.33 O ATOM 0 H GLU A 120 39.657 3.641 -2.348 1.00 10.55 H new ATOM 0 HA GLU A 120 38.870 3.816 -4.425 1.00 10.48 H new ATOM 0 HB2 GLU A 120 40.486 6.368 -4.580 1.00 11.07 H new ATOM 0 HB3 GLU A 120 39.279 5.850 -5.741 1.00 11.07 H new ATOM 0 HG2 GLU A 120 38.719 6.284 -2.789 1.00 10.59 H new ATOM 0 HG3 GLU A 120 38.464 7.503 -4.022 1.00 10.59 H new ATOM 1785 N GLU A 121 40.603 3.706 -6.511 1.00 11.08 N ATOM 1786 CA GLU A 121 41.438 2.962 -7.436 1.00 11.65 C ATOM 1787 C GLU A 121 42.096 3.878 -8.457 1.00 12.26 C ATOM 1788 O GLU A 121 41.705 5.039 -8.606 1.00 12.21 O ATOM 1789 CB GLU A 121 40.608 1.887 -8.156 1.00 11.42 C ATOM 1790 CG GLU A 121 39.604 2.429 -9.170 1.00 11.24 C ATOM 1791 CD GLU A 121 38.491 3.252 -8.546 1.00 10.81 C ATOM 1792 OE1 GLU A 121 38.696 4.459 -8.310 1.00 10.63 O ATOM 1793 OE2 GLU A 121 37.401 2.699 -8.301 1.00 10.85 O ATOM 0 H GLU A 121 39.843 4.228 -6.947 1.00 11.08 H new ATOM 0 HA GLU A 121 42.226 2.482 -6.856 1.00 11.65 H new ATOM 0 HB2 GLU A 121 41.287 1.205 -8.667 1.00 11.42 H new ATOM 0 HB3 GLU A 121 40.070 1.302 -7.410 1.00 11.42 H new ATOM 0 HG2 GLU A 121 40.133 3.043 -9.899 1.00 11.24 H new ATOM 0 HG3 GLU A 121 39.165 1.594 -9.715 1.00 11.24 H new ATOM 1800 N ASP A 122 43.116 3.344 -9.125 1.00 12.98 N ATOM 1801 CA ASP A 122 43.758 3.989 -10.271 1.00 13.73 C ATOM 1802 C ASP A 122 44.633 5.181 -9.877 1.00 14.09 C ATOM 1803 O ASP A 122 44.236 6.052 -9.100 1.00 14.14 O ATOM 1804 CB ASP A 122 42.718 4.425 -11.308 1.00 14.22 C ATOM 1805 CG ASP A 122 43.354 5.058 -12.528 1.00 15.11 C ATOM 1806 OD1 ASP A 122 44.066 4.351 -13.268 1.00 15.49 O ATOM 1807 OD2 ASP A 122 43.152 6.268 -12.739 1.00 15.51 O ATOM 0 H ASP A 122 43.525 2.441 -8.884 1.00 12.98 H new ATOM 0 HA ASP A 122 44.416 3.238 -10.709 1.00 13.73 H new ATOM 0 HB2 ASP A 122 42.130 3.560 -11.615 1.00 14.22 H new ATOM 0 HB3 ASP A 122 42.028 5.134 -10.851 1.00 14.22 H new ATOM 1812 N SER A 123 45.832 5.193 -10.429 1.00 14.48 N ATOM 1813 CA SER A 123 46.762 6.293 -10.262 1.00 15.03 C ATOM 1814 C SER A 123 47.774 6.231 -11.396 1.00 15.58 C ATOM 1815 O SER A 123 48.228 5.145 -11.764 1.00 16.06 O ATOM 1816 CB SER A 123 47.462 6.205 -8.902 1.00 15.21 C ATOM 1817 OG SER A 123 48.203 7.381 -8.623 1.00 15.39 O ATOM 0 H SER A 123 46.190 4.435 -11.010 1.00 14.48 H new ATOM 0 HA SER A 123 46.229 7.243 -10.292 1.00 15.03 H new ATOM 0 HB2 SER A 123 46.720 6.047 -8.119 1.00 15.21 H new ATOM 0 HB3 SER A 123 48.128 5.342 -8.889 1.00 15.21 H new ATOM 0 HG SER A 123 48.636 7.295 -7.748 1.00 15.39 H new ATOM 1823 N ASP A 124 48.102 7.374 -11.978 1.00 15.63 N ATOM 1824 CA ASP A 124 49.027 7.405 -13.102 1.00 16.25 C ATOM 1825 C ASP A 124 49.798 8.712 -13.133 1.00 16.92 C ATOM 1826 O ASP A 124 49.307 9.750 -12.688 1.00 17.40 O ATOM 1827 CB ASP A 124 48.284 7.214 -14.433 1.00 16.32 C ATOM 1828 CG ASP A 124 47.530 8.451 -14.880 1.00 16.45 C ATOM 1829 OD1 ASP A 124 46.382 8.653 -14.425 1.00 16.56 O ATOM 1830 OD2 ASP A 124 48.073 9.220 -15.701 1.00 16.55 O ATOM 0 H ASP A 124 47.745 8.286 -11.694 1.00 15.63 H new ATOM 0 HA ASP A 124 49.730 6.582 -12.970 1.00 16.25 H new ATOM 0 HB2 ASP A 124 49.001 6.935 -15.205 1.00 16.32 H new ATOM 0 HB3 ASP A 124 47.583 6.385 -14.334 1.00 16.32 H new ATOM 1835 N PHE A 125 51.012 8.641 -13.649 1.00 17.07 N ATOM 1836 CA PHE A 125 51.868 9.810 -13.793 1.00 17.83 C ATOM 1837 C PHE A 125 52.434 9.846 -15.207 1.00 18.42 C ATOM 1838 O PHE A 125 53.591 10.206 -15.414 1.00 18.77 O ATOM 1839 CB PHE A 125 53.009 9.766 -12.771 1.00 17.95 C ATOM 1840 CG PHE A 125 52.544 9.739 -11.342 1.00 18.29 C ATOM 1841 CD1 PHE A 125 52.301 8.534 -10.700 1.00 18.50 C ATOM 1842 CD2 PHE A 125 52.351 10.918 -10.641 1.00 18.51 C ATOM 1843 CE1 PHE A 125 51.871 8.508 -9.388 1.00 18.96 C ATOM 1844 CE2 PHE A 125 51.923 10.897 -9.328 1.00 18.94 C ATOM 1845 CZ PHE A 125 51.682 9.691 -8.700 1.00 19.19 C ATOM 0 H PHE A 125 51.434 7.773 -13.980 1.00 17.07 H new ATOM 0 HA PHE A 125 51.280 10.710 -13.612 1.00 17.83 H new ATOM 0 HB2 PHE A 125 53.620 8.884 -12.961 1.00 17.95 H new ATOM 0 HB3 PHE A 125 53.650 10.635 -12.918 1.00 17.95 H new ATOM 0 HD1 PHE A 125 52.450 7.606 -11.232 1.00 18.50 H new ATOM 0 HD2 PHE A 125 52.537 11.864 -11.127 1.00 18.51 H new ATOM 0 HE1 PHE A 125 51.683 7.563 -8.900 1.00 18.96 H new ATOM 0 HE2 PHE A 125 51.777 11.824 -8.793 1.00 18.94 H new ATOM 0 HZ PHE A 125 51.347 9.673 -7.674 1.00 19.19 H new ATOM 1855 N VAL A 126 51.595 9.461 -16.170 1.00 18.64 N ATOM 1856 CA VAL A 126 52.003 9.336 -17.568 1.00 19.32 C ATOM 1857 C VAL A 126 52.995 8.185 -17.726 1.00 19.84 C ATOM 1858 O VAL A 126 54.206 8.390 -17.503 1.00 20.33 O ATOM 1859 CB VAL A 126 52.614 10.643 -18.129 1.00 19.36 C ATOM 1860 CG1 VAL A 126 52.980 10.481 -19.598 1.00 19.82 C ATOM 1861 CG2 VAL A 126 51.647 11.808 -17.951 1.00 19.37 C ATOM 1862 OXT VAL A 126 52.553 7.067 -18.057 1.00 19.85 O ATOM 0 H VAL A 126 50.616 9.228 -16.002 1.00 18.64 H new ATOM 0 HA VAL A 126 51.102 9.128 -18.146 1.00 19.32 H new ATOM 0 HB VAL A 126 53.524 10.858 -17.569 1.00 19.36 H new ATOM 0 HG11 VAL A 126 53.407 11.412 -19.971 1.00 19.82 H new ATOM 0 HG12 VAL A 126 53.709 9.678 -19.705 1.00 19.82 H new ATOM 0 HG13 VAL A 126 52.085 10.237 -20.171 1.00 19.82 H new ATOM 0 HG21 VAL A 126 52.095 12.717 -18.352 1.00 19.37 H new ATOM 0 HG22 VAL A 126 50.720 11.596 -18.483 1.00 19.37 H new ATOM 0 HG23 VAL A 126 51.434 11.945 -16.891 1.00 19.37 H new TER 1872 VAL A 126