USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN : amide:sc= -6.74! C(o=-12!,f=-6.7!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -5.18! K(o=-12!,f=-6.7) USER MOD Set 2.1: A 1 MET CE :methyl 139:sc= -0.568 (180deg=-0.924) USER MOD Set 2.2: A 7 SER OG : rot 139:sc= 0.164 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 0 HIS N :NH3+ -169:sc= -0.127 (180deg=-0.406) USER MOD Single : A 2 LYS NZ :NH3+ 154:sc= -0.431 (180deg=-1.79!) USER MOD Single : A 3 SER OG : rot 3:sc= -0.241 USER MOD Single : A 4 THR OG1 : rot -110:sc= -1.31 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 155:sc= -2.08! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -94:sc= -0.51 (180deg=-1.45!) USER MOD Single : A 18 SER OG : rot -113:sc= 1.17 USER MOD Single : A 27 ASN : amide:sc= -0.284! C(o=-0.28!,f=-6.9!) USER MOD Single : A 33 CYS SG : rot 104:sc= -4.24! USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -1.2 (180deg=-1.78!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 20:sc= 0.188 USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= -0.0264 (180deg=-0.161) USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= -0.218 (180deg=-2.16) USER MOD Single : A 49 TYR OH : rot 100:sc= -5.31! USER MOD Single : A 56 THR OG1 : rot 180:sc= -3.17! USER MOD Single : A 59 GLN : amide:sc=-0.00125 X(o=-0.0012,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -124:sc= -0.273 (180deg=-0.682) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 91 MET CE :methyl -163:sc= -3.48! (180deg=-4.16!) USER MOD Single : A 92 SER OG : rot -134:sc= 0.00638 USER MOD Single : A 95 TYR OH : rot 90:sc= -0.459 USER MOD Single : A 96 GLN : amide:sc= -3.75! C(o=-3.7!,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -164:sc= 1.41 USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 109 TYR OH : rot 178:sc= -0.732 USER MOD Single : A 110 SER OG : rot -53:sc= -1.47 USER MOD Single : A 113 ASN : amide:sc= -5.77! C(o=-5.8!,f=-4.9!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : B 599 HIS : no HE2:sc= -0.492 K(o=-0.49,f=-1.7) USER MOD Single : B 600 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 609 GLN : amide:sc= -0.917! C(o=-0.92!,f=-8.4!) USER MOD Single : B 616 ASN : amide:sc= -2.32 K(o=-2.3,f=-0.4) USER MOD Single : B 626 SER OG : rot -36:sc= -1.39 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 0 -17.919 -11.653 6.876 1.00 1.12 N ATOM 2 CA HIS A 0 -18.702 -11.944 5.687 1.00 61.45 C ATOM 3 C HIS A 0 -18.189 -11.102 4.517 1.00 35.31 C ATOM 4 O HIS A 0 -18.469 -11.408 3.358 1.00 72.51 O ATOM 5 CB HIS A 0 -20.194 -11.741 5.954 1.00 53.13 C ATOM 6 CG HIS A 0 -20.820 -12.824 6.800 1.00 32.11 C ATOM 7 ND1 HIS A 0 -20.682 -12.876 8.176 1.00 32.05 N ATOM 8 CD2 HIS A 0 -21.589 -13.896 6.449 1.00 50.51 C ATOM 9 CE1 HIS A 0 -21.340 -13.936 8.622 1.00 52.22 C ATOM 10 NE2 HIS A 0 -21.902 -14.566 7.551 1.00 53.24 N ATOM 0 H1 HIS A 0 -18.139 -12.350 7.616 1.00 1.12 H new ATOM 0 H2 HIS A 0 -16.906 -11.701 6.645 1.00 1.12 H new ATOM 0 H3 HIS A 0 -18.151 -10.699 7.220 1.00 1.12 H new ATOM 0 HA HIS A 0 -18.581 -12.993 5.416 1.00 61.45 H new ATOM 0 HB2 HIS A 0 -20.337 -10.780 6.448 1.00 53.13 H new ATOM 0 HB3 HIS A 0 -20.720 -11.690 5.000 1.00 53.13 H new ATOM 0 HD2 HIS A 0 -21.891 -14.155 5.445 1.00 50.51 H new ATOM 0 HE1 HIS A 0 -21.418 -14.247 9.653 1.00 52.22 H new ATOM 0 HE2 HIS A 0 -22.469 -15.413 7.590 1.00 53.24 H new ATOM 19 N MET A 1 -17.447 -10.059 4.859 1.00 60.44 N ATOM 20 CA MET A 1 -16.893 -9.172 3.851 1.00 22.32 C ATOM 21 C MET A 1 -15.620 -9.763 3.240 1.00 4.00 C ATOM 22 O MET A 1 -15.335 -10.946 3.416 1.00 44.45 O ATOM 23 CB MET A 1 -16.574 -7.817 4.485 1.00 71.22 C ATOM 24 CG MET A 1 -17.763 -7.297 5.296 1.00 15.14 C ATOM 25 SD MET A 1 -17.220 -6.033 6.433 1.00 51.34 S ATOM 26 CE MET A 1 -16.523 -4.858 5.283 1.00 14.51 C ATOM 0 H MET A 1 -17.217 -9.808 5.821 1.00 60.44 H new ATOM 0 HA MET A 1 -17.630 -9.048 3.058 1.00 22.32 H new ATOM 0 HB2 MET A 1 -15.701 -7.910 5.131 1.00 71.22 H new ATOM 0 HB3 MET A 1 -16.318 -7.098 3.706 1.00 71.22 H new ATOM 0 HG2 MET A 1 -18.522 -6.893 4.626 1.00 15.14 H new ATOM 0 HG3 MET A 1 -18.226 -8.117 5.845 1.00 15.14 H new ATOM 0 HE1 MET A 1 -16.794 -3.847 5.587 1.00 14.51 H new ATOM 0 HE2 MET A 1 -15.437 -4.956 5.276 1.00 14.51 H new ATOM 0 HE3 MET A 1 -16.911 -5.053 4.283 1.00 14.51 H new ATOM 36 N LYS A 2 -14.891 -8.910 2.536 1.00 62.51 N ATOM 37 CA LYS A 2 -13.655 -9.334 1.897 1.00 10.34 C ATOM 38 C LYS A 2 -12.521 -8.400 2.323 1.00 43.14 C ATOM 39 O LYS A 2 -11.460 -8.858 2.745 1.00 64.10 O ATOM 40 CB LYS A 2 -13.840 -9.426 0.381 1.00 5.43 C ATOM 41 CG LYS A 2 -15.252 -9.002 -0.026 1.00 43.31 C ATOM 42 CD LYS A 2 -15.340 -8.768 -1.535 1.00 21.51 C ATOM 43 CE LYS A 2 -16.440 -7.759 -1.870 1.00 53.32 C ATOM 44 NZ LYS A 2 -16.332 -6.566 -1.003 1.00 45.41 N ATOM 0 H LYS A 2 -15.131 -7.929 2.394 1.00 62.51 H new ATOM 0 HA LYS A 2 -13.382 -10.338 2.222 1.00 10.34 H new ATOM 0 HB2 LYS A 2 -13.108 -8.791 -0.117 1.00 5.43 H new ATOM 0 HB3 LYS A 2 -13.654 -10.448 0.050 1.00 5.43 H new ATOM 0 HG2 LYS A 2 -15.966 -9.771 0.269 1.00 43.31 H new ATOM 0 HG3 LYS A 2 -15.529 -8.091 0.504 1.00 43.31 H new ATOM 0 HD2 LYS A 2 -14.382 -8.404 -1.907 1.00 21.51 H new ATOM 0 HD3 LYS A 2 -15.541 -9.712 -2.042 1.00 21.51 H new ATOM 0 HE2 LYS A 2 -16.364 -7.463 -2.916 1.00 53.32 H new ATOM 0 HE3 LYS A 2 -17.418 -8.222 -1.740 1.00 53.32 H new ATOM 0 HZ1 LYS A 2 -16.749 -5.746 -1.488 1.00 45.41 H new ATOM 0 HZ2 LYS A 2 -16.841 -6.737 -0.112 1.00 45.41 H new ATOM 0 HZ3 LYS A 2 -15.330 -6.375 -0.799 1.00 45.41 H new ATOM 58 N SER A 3 -12.783 -7.107 2.199 1.00 55.01 N ATOM 59 CA SER A 3 -11.796 -6.105 2.566 1.00 1.34 C ATOM 60 C SER A 3 -12.190 -5.444 3.889 1.00 53.21 C ATOM 61 O SER A 3 -13.368 -5.405 4.241 1.00 52.14 O ATOM 62 CB SER A 3 -11.649 -5.050 1.468 1.00 61.21 C ATOM 63 OG SER A 3 -10.868 -5.523 0.374 1.00 4.25 O ATOM 0 H SER A 3 -13.664 -6.730 1.850 1.00 55.01 H new ATOM 0 HA SER A 3 -10.833 -6.600 2.687 1.00 1.34 H new ATOM 0 HB2 SER A 3 -12.637 -4.760 1.110 1.00 61.21 H new ATOM 0 HB3 SER A 3 -11.186 -4.156 1.884 1.00 61.21 H new ATOM 0 HG SER A 3 -10.618 -6.458 0.530 1.00 4.25 H new ATOM 69 N THR A 4 -11.182 -4.939 4.584 1.00 53.15 N ATOM 70 CA THR A 4 -11.408 -4.281 5.859 1.00 1.20 C ATOM 71 C THR A 4 -10.697 -2.927 5.894 1.00 34.02 C ATOM 72 O THR A 4 -11.333 -1.884 5.746 1.00 52.13 O ATOM 73 CB THR A 4 -10.956 -5.233 6.969 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.768 -5.828 6.453 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.913 -6.411 7.155 1.00 74.44 C ATOM 0 H THR A 4 -10.206 -4.972 4.288 1.00 53.15 H new ATOM 0 HA THR A 4 -12.465 -4.062 6.009 1.00 1.20 H new ATOM 0 HB THR A 4 -10.871 -4.684 7.907 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.937 -6.771 6.248 1.00 53.12 H new ATOM 0 HG21 THR A 4 -11.546 -7.055 7.954 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.903 -6.038 7.416 1.00 74.44 H new ATOM 0 HG23 THR A 4 -11.973 -6.981 6.228 1.00 74.44 H new ATOM 83 N PHE A 5 -9.389 -2.986 6.092 1.00 11.00 N ATOM 84 CA PHE A 5 -8.585 -1.777 6.148 1.00 22.31 C ATOM 85 C PHE A 5 -8.919 -0.842 4.984 1.00 41.51 C ATOM 86 O PHE A 5 -8.699 0.366 5.070 1.00 44.32 O ATOM 87 CB PHE A 5 -7.120 -2.207 6.036 1.00 64.21 C ATOM 88 CG PHE A 5 -6.198 -1.132 5.456 1.00 65.11 C ATOM 89 CD1 PHE A 5 -6.121 -0.957 4.111 1.00 75.11 C ATOM 90 CD2 PHE A 5 -5.455 -0.354 6.288 1.00 10.12 C ATOM 91 CE1 PHE A 5 -5.266 0.040 3.572 1.00 33.11 C ATOM 92 CE2 PHE A 5 -4.600 0.644 5.750 1.00 0.14 C ATOM 93 CZ PHE A 5 -4.523 0.819 4.403 1.00 2.25 C ATOM 0 H PHE A 5 -8.865 -3.852 6.216 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.782 -1.243 7.077 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.758 -2.487 7.025 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -7.060 -3.098 5.411 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -6.710 -1.577 3.451 1.00 75.11 H new ATOM 0 HD2 PHE A 5 -5.515 -0.495 7.357 1.00 10.12 H new ATOM 0 HE1 PHE A 5 -5.206 0.180 2.503 1.00 33.11 H new ATOM 0 HE2 PHE A 5 -4.011 1.264 6.410 1.00 0.14 H new ATOM 0 HZ PHE A 5 -3.872 1.577 3.993 1.00 2.25 H new ATOM 103 N LYS A 6 -9.445 -1.435 3.922 1.00 54.43 N ATOM 104 CA LYS A 6 -9.812 -0.670 2.742 1.00 61.10 C ATOM 105 C LYS A 6 -11.323 -0.425 2.748 1.00 23.11 C ATOM 106 O LYS A 6 -11.798 0.554 2.175 1.00 53.24 O ATOM 107 CB LYS A 6 -9.306 -1.363 1.476 1.00 72.11 C ATOM 108 CG LYS A 6 -9.721 -0.589 0.224 1.00 41.42 C ATOM 109 CD LYS A 6 -9.935 -1.533 -0.960 1.00 55.05 C ATOM 110 CE LYS A 6 -9.567 -0.851 -2.279 1.00 11.24 C ATOM 111 NZ LYS A 6 -10.634 0.087 -2.693 1.00 41.43 N ATOM 0 H LYS A 6 -9.626 -2.437 3.854 1.00 54.43 H new ATOM 0 HA LYS A 6 -9.330 0.308 2.756 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -8.220 -1.447 1.513 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -9.703 -2.377 1.429 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -10.639 -0.035 0.422 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -8.954 0.144 -0.025 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -9.329 -2.430 -0.829 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -10.976 -1.854 -0.990 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -8.625 -0.313 -2.167 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -9.415 -1.603 -3.054 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -10.368 0.541 -3.590 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -11.525 -0.435 -2.820 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -10.760 0.815 -1.961 1.00 41.43 H new ATOM 125 N SER A 7 -12.033 -1.331 3.403 1.00 32.24 N ATOM 126 CA SER A 7 -13.480 -1.225 3.491 1.00 10.10 C ATOM 127 C SER A 7 -13.866 -0.093 4.446 1.00 13.42 C ATOM 128 O SER A 7 -15.047 0.211 4.610 1.00 63.35 O ATOM 129 CB SER A 7 -14.101 -2.545 3.955 1.00 44.33 C ATOM 130 OG SER A 7 -14.794 -3.207 2.901 1.00 52.21 O ATOM 0 H SER A 7 -11.634 -2.141 3.878 1.00 32.24 H new ATOM 0 HA SER A 7 -13.867 -1.001 2.497 1.00 10.10 H new ATOM 0 HB2 SER A 7 -13.318 -3.198 4.341 1.00 44.33 H new ATOM 0 HB3 SER A 7 -14.790 -2.353 4.777 1.00 44.33 H new ATOM 0 HG SER A 7 -14.609 -4.169 2.941 1.00 52.21 H new ATOM 136 N GLU A 8 -12.847 0.501 5.049 1.00 33.03 N ATOM 137 CA GLU A 8 -13.065 1.593 5.983 1.00 53.01 C ATOM 138 C GLU A 8 -13.177 2.920 5.230 1.00 75.05 C ATOM 139 O GLU A 8 -14.172 3.631 5.364 1.00 11.10 O ATOM 140 CB GLU A 8 -11.948 1.650 7.029 1.00 50.33 C ATOM 141 CG GLU A 8 -12.197 2.774 8.036 1.00 33.05 C ATOM 142 CD GLU A 8 -10.994 2.958 8.961 1.00 44.11 C ATOM 143 OE1 GLU A 8 -10.397 4.046 8.994 1.00 71.32 O ATOM 144 OE2 GLU A 8 -10.682 1.924 9.664 1.00 31.12 O ATOM 0 H GLU A 8 -11.869 0.247 4.909 1.00 33.03 H new ATOM 0 HA GLU A 8 -14.003 1.415 6.509 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -11.886 0.696 7.552 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.989 1.806 6.534 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -12.398 3.705 7.505 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -13.084 2.547 8.628 1.00 33.05 H new ATOM 152 N TYR A 9 -12.144 3.214 4.456 1.00 11.51 N ATOM 153 CA TYR A 9 -12.115 4.444 3.681 1.00 34.03 C ATOM 154 C TYR A 9 -11.979 4.147 2.185 1.00 13.04 C ATOM 155 O TYR A 9 -11.707 3.012 1.797 1.00 20.14 O ATOM 156 CB TYR A 9 -10.877 5.209 4.151 1.00 23.45 C ATOM 157 CG TYR A 9 -9.766 4.316 4.707 1.00 45.31 C ATOM 158 CD1 TYR A 9 -9.822 3.880 6.015 1.00 31.32 C ATOM 159 CD2 TYR A 9 -8.709 3.947 3.900 1.00 32.35 C ATOM 160 CE1 TYR A 9 -8.777 3.039 6.538 1.00 14.01 C ATOM 161 CE2 TYR A 9 -7.664 3.107 4.424 1.00 14.04 C ATOM 162 CZ TYR A 9 -7.749 2.693 5.718 1.00 24.23 C ATOM 163 OH TYR A 9 -6.762 1.900 6.210 1.00 62.13 O ATOM 0 H TYR A 9 -11.320 2.622 4.348 1.00 11.51 H new ATOM 0 HA TYR A 9 -13.036 5.010 3.824 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.481 5.786 3.316 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -11.174 5.923 4.919 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -10.649 4.169 6.646 1.00 31.32 H new ATOM 0 HD2 TYR A 9 -8.666 4.288 2.876 1.00 32.35 H new ATOM 0 HE1 TYR A 9 -8.809 2.690 7.560 1.00 14.01 H new ATOM 0 HE2 TYR A 9 -6.831 2.812 3.804 1.00 14.04 H new ATOM 0 HH TYR A 9 -6.335 1.415 5.474 1.00 62.13 H new ATOM 173 N PRO A 10 -12.179 5.214 1.367 1.00 21.33 N ATOM 174 CA PRO A 10 -12.082 5.080 -0.076 1.00 5.43 C ATOM 175 C PRO A 10 -10.621 4.971 -0.519 1.00 23.30 C ATOM 176 O PRO A 10 -9.717 4.944 0.314 1.00 24.20 O ATOM 177 CB PRO A 10 -12.781 6.308 -0.634 1.00 2.54 C ATOM 178 CG PRO A 10 -12.836 7.312 0.507 1.00 23.32 C ATOM 179 CD PRO A 10 -12.504 6.574 1.793 1.00 44.44 C ATOM 0 HA PRO A 10 -12.552 4.169 -0.446 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.236 6.714 -1.486 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.783 6.061 -0.985 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.126 8.122 0.337 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.826 7.764 0.571 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.664 7.038 2.310 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.348 6.582 2.483 1.00 44.44 H new ATOM 187 N PHE A 11 -10.436 4.913 -1.829 1.00 12.11 N ATOM 188 CA PHE A 11 -9.102 4.807 -2.393 1.00 25.15 C ATOM 189 C PHE A 11 -8.329 6.117 -2.221 1.00 3.34 C ATOM 190 O PHE A 11 -7.122 6.103 -1.984 1.00 13.02 O ATOM 191 CB PHE A 11 -9.269 4.521 -3.887 1.00 73.12 C ATOM 192 CG PHE A 11 -8.099 5.004 -4.748 1.00 53.51 C ATOM 193 CD1 PHE A 11 -7.949 6.330 -5.007 1.00 64.31 C ATOM 194 CD2 PHE A 11 -7.210 4.106 -5.252 1.00 3.24 C ATOM 195 CE1 PHE A 11 -6.863 6.777 -5.807 1.00 0.24 C ATOM 196 CE2 PHE A 11 -6.125 4.554 -6.050 1.00 60.21 C ATOM 197 CZ PHE A 11 -5.974 5.881 -6.311 1.00 72.02 C ATOM 0 H PHE A 11 -11.189 4.937 -2.517 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.546 4.018 -1.887 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -9.393 3.447 -4.029 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.185 4.997 -4.237 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -8.654 7.043 -4.605 1.00 64.31 H new ATOM 0 HD2 PHE A 11 -7.330 3.053 -5.045 1.00 3.24 H new ATOM 0 HE1 PHE A 11 -6.744 7.830 -6.015 1.00 0.24 H new ATOM 0 HE2 PHE A 11 -5.419 3.841 -6.450 1.00 60.21 H new ATOM 0 HZ PHE A 11 -5.148 6.222 -6.918 1.00 72.02 H new ATOM 207 N GLU A 12 -9.056 7.217 -2.346 1.00 32.21 N ATOM 208 CA GLU A 12 -8.454 8.532 -2.206 1.00 43.50 C ATOM 209 C GLU A 12 -7.818 8.681 -0.823 1.00 41.32 C ATOM 210 O GLU A 12 -6.956 9.534 -0.621 1.00 72.13 O ATOM 211 CB GLU A 12 -9.483 9.636 -2.458 1.00 61.12 C ATOM 212 CG GLU A 12 -9.661 9.888 -3.957 1.00 72.25 C ATOM 213 CD GLU A 12 -10.783 10.897 -4.214 1.00 53.25 C ATOM 214 OE1 GLU A 12 -10.563 12.112 -4.088 1.00 30.14 O ATOM 215 OE2 GLU A 12 -11.913 10.380 -4.558 1.00 20.32 O ATOM 0 H GLU A 12 -10.057 7.225 -2.543 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.670 8.633 -2.957 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.439 9.354 -2.017 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.164 10.555 -1.967 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -8.728 10.261 -4.380 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -9.888 8.950 -4.463 1.00 72.25 H new ATOM 223 N LYS A 13 -8.268 7.837 0.093 1.00 5.43 N ATOM 224 CA LYS A 13 -7.754 7.864 1.453 1.00 64.41 C ATOM 225 C LYS A 13 -6.385 7.180 1.489 1.00 40.34 C ATOM 226 O LYS A 13 -5.584 7.431 2.388 1.00 3.22 O ATOM 227 CB LYS A 13 -8.770 7.257 2.422 1.00 65.01 C ATOM 228 CG LYS A 13 -8.367 7.521 3.873 1.00 14.12 C ATOM 229 CD LYS A 13 -9.066 8.768 4.419 1.00 72.31 C ATOM 230 CE LYS A 13 -8.615 10.022 3.667 1.00 2.41 C ATOM 231 NZ LYS A 13 -8.941 11.238 4.444 1.00 34.20 N ATOM 0 H LYS A 13 -8.983 7.130 -0.079 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.607 8.892 1.785 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.757 7.679 2.232 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -8.845 6.183 2.251 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -8.623 6.658 4.488 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -7.286 7.649 3.936 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -10.146 8.653 4.328 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -8.846 8.877 5.481 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -7.541 9.977 3.484 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.103 10.064 2.693 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -8.628 12.080 3.919 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -9.969 11.287 4.597 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -8.456 11.203 5.363 1.00 34.20 H new ATOM 245 N ARG A 14 -6.158 6.328 0.499 1.00 61.35 N ATOM 246 CA ARG A 14 -4.901 5.605 0.408 1.00 70.54 C ATOM 247 C ARG A 14 -3.899 6.391 -0.442 1.00 72.40 C ATOM 248 O ARG A 14 -2.711 6.434 -0.126 1.00 21.25 O ATOM 249 CB ARG A 14 -5.104 4.220 -0.208 1.00 65.45 C ATOM 250 CG ARG A 14 -6.281 3.497 0.450 1.00 13.40 C ATOM 251 CD ARG A 14 -7.032 2.633 -0.566 1.00 22.22 C ATOM 252 NE ARG A 14 -6.569 1.229 -0.479 1.00 41.21 N ATOM 253 CZ ARG A 14 -6.676 0.467 0.629 1.00 43.14 C ATOM 254 NH1 ARG A 14 -7.232 0.965 1.755 1.00 33.03 N ATOM 255 NH2 ARG A 14 -6.230 -0.775 0.596 1.00 2.22 N ATOM 0 H ARG A 14 -6.823 6.123 -0.246 1.00 61.35 H new ATOM 0 HA ARG A 14 -4.513 5.486 1.420 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -5.284 4.317 -1.279 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -4.196 3.628 -0.089 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -5.918 2.872 1.266 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -6.963 4.227 0.886 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -8.104 2.683 -0.376 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -6.868 3.017 -1.573 1.00 22.22 H new ATOM 0 HE ARG A 14 -6.143 0.813 -1.307 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -7.576 1.925 1.773 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -7.308 0.381 2.588 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -5.812 -1.144 -0.258 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -6.303 -1.365 1.425 1.00 2.22 H new ATOM 269 N LYS A 15 -4.416 6.993 -1.503 1.00 2.20 N ATOM 270 CA LYS A 15 -3.582 7.775 -2.401 1.00 31.35 C ATOM 271 C LYS A 15 -2.953 8.934 -1.625 1.00 5.31 C ATOM 272 O LYS A 15 -1.794 9.281 -1.851 1.00 31.23 O ATOM 273 CB LYS A 15 -4.383 8.218 -3.626 1.00 63.02 C ATOM 274 CG LYS A 15 -5.121 9.530 -3.356 1.00 33.43 C ATOM 275 CD LYS A 15 -5.986 9.930 -4.552 1.00 1.00 C ATOM 276 CE LYS A 15 -6.465 11.377 -4.421 1.00 21.04 C ATOM 277 NZ LYS A 15 -7.250 11.773 -5.613 1.00 61.42 N ATOM 0 H LYS A 15 -5.402 6.955 -1.761 1.00 2.20 H new ATOM 0 HA LYS A 15 -2.763 7.168 -2.787 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -3.713 8.342 -4.477 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.100 7.443 -3.895 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.747 9.423 -2.470 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.400 10.320 -3.144 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.415 9.814 -5.473 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.845 9.263 -4.623 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.075 11.485 -3.524 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.608 12.041 -4.305 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -6.625 12.238 -6.302 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -7.674 10.928 -6.046 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -8.004 12.431 -5.329 1.00 61.42 H new ATOM 291 N ALA A 16 -3.744 9.502 -0.727 1.00 43.45 N ATOM 292 CA ALA A 16 -3.280 10.615 0.084 1.00 33.41 C ATOM 293 C ALA A 16 -2.394 10.084 1.212 1.00 52.13 C ATOM 294 O ALA A 16 -1.587 10.823 1.773 1.00 11.03 O ATOM 295 CB ALA A 16 -4.482 11.401 0.609 1.00 50.03 C ATOM 0 H ALA A 16 -4.704 9.212 -0.543 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.679 11.300 -0.514 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -4.133 12.236 1.217 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -5.063 11.782 -0.231 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -5.108 10.747 1.216 1.00 50.03 H new ATOM 301 N GLU A 17 -2.572 8.805 1.509 1.00 45.42 N ATOM 302 CA GLU A 17 -1.799 8.167 2.560 1.00 11.22 C ATOM 303 C GLU A 17 -0.370 7.896 2.080 1.00 13.51 C ATOM 304 O GLU A 17 0.591 8.346 2.701 1.00 44.12 O ATOM 305 CB GLU A 17 -2.472 6.874 3.029 1.00 32.21 C ATOM 306 CG GLU A 17 -1.504 6.018 3.849 1.00 41.44 C ATOM 307 CD GLU A 17 -1.147 6.705 5.169 1.00 1.55 C ATOM 308 OE1 GLU A 17 -0.048 6.490 5.701 1.00 64.25 O ATOM 309 OE2 GLU A 17 -2.058 7.486 5.640 1.00 63.21 O ATOM 0 H GLU A 17 -3.240 8.194 1.040 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.754 8.845 3.412 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.349 7.114 3.630 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.822 6.308 2.166 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -1.954 5.046 4.051 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.597 5.836 3.273 1.00 41.44 H new ATOM 317 N SER A 18 -0.279 7.166 0.979 1.00 32.43 N ATOM 318 CA SER A 18 1.014 6.831 0.409 1.00 63.41 C ATOM 319 C SER A 18 1.775 8.110 0.053 1.00 73.40 C ATOM 320 O SER A 18 2.985 8.075 -0.170 1.00 73.04 O ATOM 321 CB SER A 18 0.858 5.945 -0.829 1.00 72.20 C ATOM 322 OG SER A 18 0.413 6.684 -1.963 1.00 23.24 O ATOM 0 H SER A 18 -1.080 6.797 0.466 1.00 32.43 H new ATOM 0 HA SER A 18 1.581 6.272 1.153 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.812 5.470 -1.058 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.148 5.146 -0.616 1.00 72.20 H new ATOM 0 HG SER A 18 -0.491 6.394 -2.208 1.00 23.24 H new ATOM 328 N GLU A 19 1.036 9.208 0.010 1.00 72.31 N ATOM 329 CA GLU A 19 1.626 10.496 -0.315 1.00 1.34 C ATOM 330 C GLU A 19 2.552 10.956 0.814 1.00 3.30 C ATOM 331 O GLU A 19 3.455 11.759 0.592 1.00 22.02 O ATOM 332 CB GLU A 19 0.544 11.540 -0.594 1.00 51.31 C ATOM 333 CG GLU A 19 -0.041 11.361 -1.997 1.00 25.43 C ATOM 334 CD GLU A 19 0.637 12.299 -2.997 1.00 10.12 C ATOM 335 OE1 GLU A 19 1.173 13.346 -2.602 1.00 65.44 O ATOM 336 OE2 GLU A 19 0.598 11.907 -4.226 1.00 13.54 O ATOM 0 H GLU A 19 0.033 9.233 0.195 1.00 72.31 H new ATOM 0 HA GLU A 19 2.219 10.383 -1.223 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.249 11.454 0.149 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.965 12.541 -0.496 1.00 51.31 H new ATOM 0 HG2 GLU A 19 0.086 10.327 -2.319 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.113 11.559 -1.976 1.00 25.43 H new ATOM 344 N ARG A 20 2.294 10.425 2.001 1.00 64.42 N ATOM 345 CA ARG A 20 3.094 10.770 3.164 1.00 61.32 C ATOM 346 C ARG A 20 4.097 9.656 3.469 1.00 72.54 C ATOM 347 O ARG A 20 5.231 9.927 3.859 1.00 12.42 O ATOM 348 CB ARG A 20 2.209 11.000 4.392 1.00 21.21 C ATOM 349 CG ARG A 20 0.856 11.593 3.989 1.00 4.23 C ATOM 350 CD ARG A 20 -0.096 11.647 5.184 1.00 54.55 C ATOM 351 NE ARG A 20 -0.041 10.371 5.935 1.00 51.32 N ATOM 352 CZ ARG A 20 -0.351 10.248 7.242 1.00 55.13 C ATOM 353 NH1 ARG A 20 -0.740 11.325 7.958 1.00 61.44 N ATOM 354 NH2 ARG A 20 -0.265 9.060 7.812 1.00 74.03 N ATOM 0 H ARG A 20 1.543 9.759 2.182 1.00 64.42 H new ATOM 0 HA ARG A 20 3.629 11.692 2.937 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.055 10.057 4.916 1.00 21.21 H new ATOM 0 HB3 ARG A 20 2.712 11.672 5.087 1.00 21.21 H new ATOM 0 HG2 ARG A 20 1.000 12.596 3.588 1.00 4.23 H new ATOM 0 HG3 ARG A 20 0.414 10.992 3.194 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.176 12.475 5.838 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -1.114 11.833 4.840 1.00 54.55 H new ATOM 0 HE ARG A 20 0.250 9.533 5.432 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -0.801 12.240 7.511 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -0.973 11.224 8.946 1.00 61.44 H new ATOM 0 HH21 ARG A 20 0.032 8.252 7.265 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -0.496 8.950 8.799 1.00 74.03 H new ATOM 368 N ILE A 21 3.641 8.426 3.281 1.00 62.20 N ATOM 369 CA ILE A 21 4.485 7.269 3.531 1.00 14.54 C ATOM 370 C ILE A 21 5.727 7.348 2.642 1.00 33.24 C ATOM 371 O ILE A 21 6.744 6.718 2.932 1.00 12.23 O ATOM 372 CB ILE A 21 3.686 5.976 3.359 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.930 5.623 4.642 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.590 4.832 2.893 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.916 4.507 4.390 1.00 64.42 C ATOM 0 H ILE A 21 2.699 8.205 2.959 1.00 62.20 H new ATOM 0 HA ILE A 21 4.832 7.266 4.564 1.00 14.54 H new ATOM 0 HB ILE A 21 2.940 6.136 2.580 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.637 5.310 5.411 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.417 6.507 5.021 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.998 3.924 2.778 1.00 40.52 H new ATOM 0 HG22 ILE A 21 5.043 5.093 1.937 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.373 4.663 3.632 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.392 4.275 5.317 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.196 4.832 3.638 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.435 3.617 4.034 1.00 64.42 H new ATOM 387 N ALA A 22 5.605 8.125 1.576 1.00 53.32 N ATOM 388 CA ALA A 22 6.704 8.294 0.642 1.00 24.25 C ATOM 389 C ALA A 22 7.746 9.236 1.252 1.00 24.12 C ATOM 390 O ALA A 22 8.921 9.180 0.896 1.00 11.34 O ATOM 391 CB ALA A 22 6.167 8.809 -0.695 1.00 5.11 C ATOM 0 H ALA A 22 4.760 8.645 1.338 1.00 53.32 H new ATOM 0 HA ALA A 22 7.193 7.339 0.450 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.993 8.935 -1.395 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.454 8.092 -1.101 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.671 9.767 -0.543 1.00 5.11 H new ATOM 397 N ASP A 23 7.276 10.077 2.159 1.00 25.10 N ATOM 398 CA ASP A 23 8.151 11.030 2.823 1.00 52.05 C ATOM 399 C ASP A 23 8.666 10.419 4.128 1.00 73.32 C ATOM 400 O ASP A 23 9.679 10.862 4.667 1.00 52.31 O ATOM 401 CB ASP A 23 7.402 12.318 3.167 1.00 42.33 C ATOM 402 CG ASP A 23 8.228 13.364 3.921 1.00 74.04 C ATOM 403 OD1 ASP A 23 8.341 13.320 5.155 1.00 25.13 O ATOM 404 OD2 ASP A 23 8.776 14.264 3.178 1.00 10.42 O ATOM 0 H ASP A 23 6.300 10.120 2.451 1.00 25.10 H new ATOM 0 HA ASP A 23 8.974 11.261 2.146 1.00 52.05 H new ATOM 0 HB2 ASP A 23 7.034 12.764 2.243 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.529 12.064 3.768 1.00 42.33 H new ATOM 410 N ARG A 24 7.945 9.412 4.598 1.00 2.03 N ATOM 411 CA ARG A 24 8.317 8.737 5.829 1.00 72.20 C ATOM 412 C ARG A 24 9.253 7.564 5.531 1.00 42.41 C ATOM 413 O ARG A 24 10.389 7.537 6.000 1.00 42.21 O ATOM 414 CB ARG A 24 7.081 8.218 6.568 1.00 3.23 C ATOM 415 CG ARG A 24 6.779 9.074 7.800 1.00 41.44 C ATOM 416 CD ARG A 24 5.318 8.924 8.227 1.00 53.35 C ATOM 417 NE ARG A 24 5.207 7.915 9.305 1.00 3.11 N ATOM 418 CZ ARG A 24 4.092 7.199 9.560 1.00 64.41 C ATOM 419 NH1 ARG A 24 2.979 7.375 8.815 1.00 24.30 N ATOM 420 NH2 ARG A 24 4.104 6.323 10.548 1.00 54.54 N ATOM 0 H ARG A 24 7.105 9.047 4.148 1.00 2.03 H new ATOM 0 HA ARG A 24 8.828 9.462 6.462 1.00 72.20 H new ATOM 0 HB2 ARG A 24 6.222 8.225 5.897 1.00 3.23 H new ATOM 0 HB3 ARG A 24 7.241 7.183 6.870 1.00 3.23 H new ATOM 0 HG2 ARG A 24 7.433 8.780 8.621 1.00 41.44 H new ATOM 0 HG3 ARG A 24 6.992 10.120 7.581 1.00 41.44 H new ATOM 0 HD2 ARG A 24 4.931 9.882 8.573 1.00 53.35 H new ATOM 0 HD3 ARG A 24 4.710 8.625 7.373 1.00 53.35 H new ATOM 0 HE ARG A 24 6.025 7.751 9.892 1.00 3.11 H new ATOM 0 HH11 ARG A 24 2.977 8.053 8.053 1.00 24.30 H new ATOM 0 HH12 ARG A 24 2.140 6.830 9.014 1.00 24.30 H new ATOM 0 HH21 ARG A 24 4.948 6.195 11.106 1.00 54.54 H new ATOM 0 HH22 ARG A 24 3.269 5.774 10.753 1.00 54.54 H new ATOM 434 N PHE A 25 8.740 6.624 4.751 1.00 64.32 N ATOM 435 CA PHE A 25 9.516 5.451 4.384 1.00 21.45 C ATOM 436 C PHE A 25 9.543 5.265 2.864 1.00 22.31 C ATOM 437 O PHE A 25 8.744 4.509 2.315 1.00 4.20 O ATOM 438 CB PHE A 25 8.829 4.243 5.021 1.00 21.33 C ATOM 439 CG PHE A 25 8.245 4.519 6.408 1.00 40.00 C ATOM 440 CD1 PHE A 25 9.071 4.647 7.480 1.00 31.32 C ATOM 441 CD2 PHE A 25 6.899 4.634 6.569 1.00 62.14 C ATOM 442 CE1 PHE A 25 8.530 4.905 8.768 1.00 64.13 C ATOM 443 CE2 PHE A 25 6.357 4.891 7.856 1.00 33.12 C ATOM 444 CZ PHE A 25 7.183 5.021 8.928 1.00 35.34 C ATOM 0 H PHE A 25 7.797 6.650 4.363 1.00 64.32 H new ATOM 0 HA PHE A 25 10.544 5.562 4.728 1.00 21.45 H new ATOM 0 HB2 PHE A 25 8.030 3.904 4.362 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.548 3.427 5.096 1.00 21.33 H new ATOM 0 HD1 PHE A 25 10.139 4.552 7.352 1.00 31.32 H new ATOM 0 HD2 PHE A 25 6.243 4.530 5.718 1.00 62.14 H new ATOM 0 HE1 PHE A 25 9.186 5.009 9.619 1.00 64.13 H new ATOM 0 HE2 PHE A 25 5.289 4.983 7.983 1.00 33.12 H new ATOM 0 HZ PHE A 25 6.770 5.216 9.907 1.00 35.34 H new ATOM 454 N PRO A 26 10.495 5.986 2.214 1.00 41.11 N ATOM 455 CA PRO A 26 10.637 5.908 0.771 1.00 13.25 C ATOM 456 C PRO A 26 11.299 4.593 0.354 1.00 62.02 C ATOM 457 O PRO A 26 11.113 4.130 -0.769 1.00 74.20 O ATOM 458 CB PRO A 26 11.453 7.131 0.388 1.00 14.12 C ATOM 459 CG PRO A 26 12.132 7.595 1.668 1.00 11.53 C ATOM 460 CD PRO A 26 11.458 6.891 2.833 1.00 22.31 C ATOM 0 HA PRO A 26 9.677 5.909 0.255 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.189 6.886 -0.378 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.815 7.914 -0.022 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.196 7.359 1.643 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.048 8.676 1.775 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.182 6.345 3.438 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.964 7.603 3.493 1.00 22.31 H new ATOM 468 N ASN A 27 12.056 4.030 1.284 1.00 3.54 N ATOM 469 CA ASN A 27 12.747 2.777 1.028 1.00 53.31 C ATOM 470 C ASN A 27 11.889 1.614 1.529 1.00 42.04 C ATOM 471 O ASN A 27 12.403 0.669 2.125 1.00 41.30 O ATOM 472 CB ASN A 27 14.087 2.727 1.765 1.00 71.12 C ATOM 473 CG ASN A 27 14.588 4.135 2.090 1.00 53.14 C ATOM 474 OD1 ASN A 27 13.901 4.941 2.695 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.819 4.385 1.655 1.00 54.31 N ATOM 0 H ASN A 27 12.206 4.418 2.215 1.00 3.54 H new ATOM 0 HA ASN A 27 12.922 2.702 -0.045 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.978 2.155 2.686 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.824 2.208 1.152 1.00 71.12 H new ATOM 0 HD21 ASN A 27 16.243 5.297 1.822 1.00 54.31 H new ATOM 0 HD22 ASN A 27 16.339 3.664 1.155 1.00 54.31 H new ATOM 482 N ARG A 28 10.593 1.721 1.266 1.00 14.04 N ATOM 483 CA ARG A 28 9.658 0.691 1.684 1.00 70.34 C ATOM 484 C ARG A 28 8.759 0.287 0.513 1.00 20.11 C ATOM 485 O ARG A 28 8.883 0.825 -0.586 1.00 11.54 O ATOM 486 CB ARG A 28 8.787 1.175 2.843 1.00 32.42 C ATOM 487 CG ARG A 28 9.526 1.044 4.176 1.00 75.13 C ATOM 488 CD ARG A 28 10.061 -0.375 4.370 1.00 41.41 C ATOM 489 NE ARG A 28 10.249 -0.653 5.811 1.00 33.42 N ATOM 490 CZ ARG A 28 9.289 -1.156 6.618 1.00 25.54 C ATOM 491 NH1 ARG A 28 8.065 -1.441 6.128 1.00 25.31 N ATOM 492 NH2 ARG A 28 9.568 -1.364 7.891 1.00 71.52 N ATOM 0 H ARG A 28 10.170 2.505 0.769 1.00 14.04 H new ATOM 0 HA ARG A 28 10.238 -0.170 2.017 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.504 2.215 2.681 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.864 0.595 2.876 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.351 1.755 4.209 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.853 1.298 4.995 1.00 75.13 H new ATOM 0 HD2 ARG A 28 9.366 -1.096 3.940 1.00 41.41 H new ATOM 0 HD3 ARG A 28 11.008 -0.491 3.842 1.00 41.41 H new ATOM 0 HE ARG A 28 11.161 -0.452 6.221 1.00 33.42 H new ATOM 0 HH11 ARG A 28 7.859 -1.277 5.142 1.00 25.31 H new ATOM 0 HH12 ARG A 28 7.345 -1.821 6.743 1.00 25.31 H new ATOM 0 HH21 ARG A 28 10.497 -1.146 8.252 1.00 71.52 H new ATOM 0 HH22 ARG A 28 8.855 -1.743 8.514 1.00 71.52 H new ATOM 506 N ILE A 29 7.874 -0.661 0.789 1.00 73.21 N ATOM 507 CA ILE A 29 6.955 -1.145 -0.227 1.00 73.02 C ATOM 508 C ILE A 29 5.587 -1.400 0.409 1.00 4.10 C ATOM 509 O ILE A 29 5.363 -2.452 1.005 1.00 71.12 O ATOM 510 CB ILE A 29 7.540 -2.366 -0.941 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.872 -2.023 -1.611 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.534 -2.954 -1.932 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.675 -1.000 -2.732 1.00 4.23 C ATOM 0 H ILE A 29 7.774 -1.106 1.701 1.00 73.21 H new ATOM 0 HA ILE A 29 6.811 -0.391 -1.001 1.00 73.02 H new ATOM 0 HB ILE A 29 7.744 -3.134 -0.195 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.565 -1.626 -0.869 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.323 -2.929 -2.016 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.974 -3.820 -2.426 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.634 -3.259 -1.399 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.277 -2.202 -2.678 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.637 -0.774 -3.191 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.001 -1.410 -3.484 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.246 -0.087 -2.320 1.00 4.23 H new ATOM 525 N PRO A 30 4.685 -0.395 0.255 1.00 11.44 N ATOM 526 CA PRO A 30 3.346 -0.500 0.807 1.00 41.20 C ATOM 527 C PRO A 30 2.482 -1.449 -0.027 1.00 64.02 C ATOM 528 O PRO A 30 2.364 -1.282 -1.240 1.00 31.24 O ATOM 529 CB PRO A 30 2.815 0.923 0.827 1.00 23.13 C ATOM 530 CG PRO A 30 3.688 1.707 -0.139 1.00 14.13 C ATOM 531 CD PRO A 30 4.916 0.865 -0.446 1.00 23.23 C ATOM 0 HA PRO A 30 3.337 -0.928 1.810 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.769 0.954 0.521 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.867 1.345 1.831 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.140 1.930 -1.054 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.979 2.662 0.299 1.00 14.13 H new ATOM 0 HD2 PRO A 30 5.030 0.707 -1.518 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.827 1.351 -0.097 1.00 23.23 H new ATOM 539 N VAL A 31 1.900 -2.424 0.657 1.00 35.55 N ATOM 540 CA VAL A 31 1.051 -3.400 -0.006 1.00 53.01 C ATOM 541 C VAL A 31 -0.195 -3.645 0.846 1.00 30.13 C ATOM 542 O VAL A 31 -0.298 -3.140 1.963 1.00 73.51 O ATOM 543 CB VAL A 31 1.844 -4.677 -0.288 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.323 -4.364 -0.528 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.676 -5.689 0.848 1.00 45.11 C ATOM 0 H VAL A 31 2.000 -2.559 1.663 1.00 35.55 H new ATOM 0 HA VAL A 31 0.716 -3.023 -0.972 1.00 53.01 H new ATOM 0 HB VAL A 31 1.444 -5.124 -1.198 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.863 -5.290 -0.726 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.419 -3.697 -1.385 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.741 -3.882 0.356 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.250 -6.588 0.622 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.036 -5.253 1.780 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.622 -5.948 0.952 1.00 45.11 H new ATOM 555 N ILE A 32 -1.112 -4.420 0.286 1.00 65.24 N ATOM 556 CA ILE A 32 -2.348 -4.739 0.980 1.00 51.12 C ATOM 557 C ILE A 32 -2.646 -6.232 0.822 1.00 43.11 C ATOM 558 O ILE A 32 -3.183 -6.656 -0.199 1.00 14.33 O ATOM 559 CB ILE A 32 -3.482 -3.831 0.498 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.028 -2.371 0.441 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.732 -4.010 1.364 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.986 -1.755 1.840 1.00 50.14 C ATOM 0 H ILE A 32 -1.024 -4.837 -0.641 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.247 -4.545 2.048 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.748 -4.125 -0.517 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.040 -2.311 -0.016 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.707 -1.800 -0.192 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.523 -3.354 1.001 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -5.067 -5.046 1.310 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.497 -3.758 2.398 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.660 -0.717 1.771 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.980 -1.794 2.285 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.287 -2.314 2.463 1.00 50.14 H new ATOM 574 N CYS A 33 -2.286 -6.986 1.850 1.00 2.21 N ATOM 575 CA CYS A 33 -2.508 -8.422 1.839 1.00 35.42 C ATOM 576 C CYS A 33 -4.002 -8.677 2.041 1.00 3.32 C ATOM 577 O CYS A 33 -4.635 -8.046 2.887 1.00 43.20 O ATOM 578 CB CYS A 33 -1.659 -9.133 2.894 1.00 33.30 C ATOM 579 SG CYS A 33 -1.235 -10.819 2.321 1.00 13.01 S ATOM 0 H CYS A 33 -1.842 -6.630 2.696 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.197 -8.835 0.879 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.749 -8.565 3.084 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.204 -9.186 3.836 1.00 33.30 H new ATOM 0 HG CYS A 33 0.002 -10.843 1.922 1.00 13.01 H new ATOM 585 N GLU A 34 -4.523 -9.608 1.253 1.00 15.11 N ATOM 586 CA GLU A 34 -5.931 -9.955 1.336 1.00 60.01 C ATOM 587 C GLU A 34 -6.123 -11.452 1.090 1.00 42.00 C ATOM 588 O GLU A 34 -5.247 -12.111 0.533 1.00 21.50 O ATOM 589 CB GLU A 34 -6.759 -9.127 0.351 1.00 74.13 C ATOM 590 CG GLU A 34 -8.198 -8.964 0.846 1.00 21.12 C ATOM 591 CD GLU A 34 -9.086 -10.100 0.335 1.00 33.02 C ATOM 592 OE1 GLU A 34 -10.056 -10.480 1.008 1.00 61.31 O ATOM 593 OE2 GLU A 34 -8.739 -10.593 -0.805 1.00 64.42 O ATOM 0 H GLU A 34 -3.995 -10.132 0.555 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.284 -9.723 2.341 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.302 -8.146 0.221 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.759 -9.611 -0.626 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.212 -8.949 1.936 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.596 -8.007 0.509 1.00 21.12 H new ATOM 601 N LYS A 35 -7.276 -11.947 1.517 1.00 12.15 N ATOM 602 CA LYS A 35 -7.594 -13.355 1.351 1.00 74.11 C ATOM 603 C LYS A 35 -8.824 -13.492 0.450 1.00 65.13 C ATOM 604 O LYS A 35 -9.852 -12.860 0.696 1.00 52.34 O ATOM 605 CB LYS A 35 -7.751 -14.035 2.713 1.00 54.43 C ATOM 606 CG LYS A 35 -7.320 -15.500 2.648 1.00 11.23 C ATOM 607 CD LYS A 35 -8.401 -16.361 1.991 1.00 11.40 C ATOM 608 CE LYS A 35 -9.478 -16.756 3.004 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.598 -15.790 2.975 1.00 23.43 N ATOM 0 H LYS A 35 -8.001 -11.398 1.978 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.774 -13.874 0.855 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.153 -13.509 3.457 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -8.790 -13.972 3.037 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.391 -15.585 2.085 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.118 -15.868 3.654 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -8.856 -15.813 1.166 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -7.949 -17.258 1.567 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -9.847 -17.756 2.779 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -9.048 -16.793 4.005 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.430 -16.209 3.437 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.322 -14.923 3.479 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -10.831 -15.558 1.988 1.00 23.43 H new ATOM 623 N ALA A 36 -8.679 -14.322 -0.572 1.00 44.15 N ATOM 624 CA ALA A 36 -9.766 -14.549 -1.509 1.00 42.21 C ATOM 625 C ALA A 36 -10.882 -15.328 -0.811 1.00 35.03 C ATOM 626 O ALA A 36 -10.618 -16.304 -0.110 1.00 61.54 O ATOM 627 CB ALA A 36 -9.230 -15.279 -2.744 1.00 55.13 C ATOM 0 H ALA A 36 -7.826 -14.845 -0.772 1.00 44.15 H new ATOM 0 HA ALA A 36 -10.187 -13.602 -1.846 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -10.045 -15.450 -3.448 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -8.460 -14.671 -3.220 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.803 -16.236 -2.444 1.00 55.13 H new ATOM 633 N GLU A 37 -12.105 -14.867 -1.028 1.00 33.15 N ATOM 634 CA GLU A 37 -13.263 -15.510 -0.427 1.00 72.10 C ATOM 635 C GLU A 37 -13.364 -16.965 -0.891 1.00 21.01 C ATOM 636 O GLU A 37 -13.452 -17.875 -0.070 1.00 64.00 O ATOM 637 CB GLU A 37 -14.545 -14.740 -0.751 1.00 2.12 C ATOM 638 CG GLU A 37 -14.809 -14.724 -2.258 1.00 54.13 C ATOM 639 CD GLU A 37 -15.860 -13.670 -2.620 1.00 3.31 C ATOM 640 OE1 GLU A 37 -15.526 -12.484 -2.755 1.00 60.30 O ATOM 641 OE2 GLU A 37 -17.058 -14.124 -2.762 1.00 23.54 O ATOM 0 H GLU A 37 -12.320 -14.058 -1.610 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.137 -15.504 0.656 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.389 -15.198 -0.235 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.463 -13.718 -0.382 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.881 -14.516 -2.791 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -15.149 -15.708 -2.582 1.00 54.13 H new ATOM 649 N LYS A 38 -13.349 -17.135 -2.204 1.00 32.50 N ATOM 650 CA LYS A 38 -13.438 -18.464 -2.787 1.00 70.13 C ATOM 651 C LYS A 38 -12.578 -19.431 -1.972 1.00 34.33 C ATOM 652 O LYS A 38 -13.011 -20.541 -1.660 1.00 61.34 O ATOM 653 CB LYS A 38 -13.078 -18.422 -4.273 1.00 31.21 C ATOM 654 CG LYS A 38 -14.269 -17.955 -5.113 1.00 30.31 C ATOM 655 CD LYS A 38 -14.985 -19.145 -5.757 1.00 62.11 C ATOM 656 CE LYS A 38 -14.137 -19.756 -6.873 1.00 24.23 C ATOM 657 NZ LYS A 38 -14.835 -20.908 -7.484 1.00 2.33 N ATOM 0 H LYS A 38 -13.277 -16.376 -2.881 1.00 32.50 H new ATOM 0 HA LYS A 38 -14.463 -18.833 -2.742 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -12.234 -17.750 -4.427 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.762 -19.412 -4.602 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.967 -17.402 -4.485 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.926 -17.269 -5.888 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -15.195 -19.901 -5.000 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -15.945 -18.822 -6.160 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -13.930 -19.003 -7.634 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -13.175 -20.077 -6.473 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -14.245 -21.311 -8.240 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -15.010 -21.632 -6.759 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -15.742 -20.592 -7.884 1.00 2.33 H new ATOM 671 N SER A 39 -11.375 -18.977 -1.652 1.00 31.52 N ATOM 672 CA SER A 39 -10.450 -19.789 -0.880 1.00 23.13 C ATOM 673 C SER A 39 -11.188 -20.464 0.279 1.00 61.22 C ATOM 674 O SER A 39 -12.322 -20.102 0.593 1.00 52.33 O ATOM 675 CB SER A 39 -9.288 -18.947 -0.349 1.00 23.31 C ATOM 676 OG SER A 39 -8.124 -19.734 -0.112 1.00 4.43 O ATOM 0 H SER A 39 -11.020 -18.057 -1.913 1.00 31.52 H new ATOM 0 HA SER A 39 -10.038 -20.555 -1.537 1.00 23.13 H new ATOM 0 HB2 SER A 39 -9.054 -18.160 -1.065 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.589 -18.457 0.577 1.00 23.31 H new ATOM 0 HG SER A 39 -8.186 -20.570 -0.619 1.00 4.43 H new ATOM 682 N ASP A 40 -10.515 -21.433 0.883 1.00 65.12 N ATOM 683 CA ASP A 40 -11.093 -22.162 2.000 1.00 2.54 C ATOM 684 C ASP A 40 -10.294 -21.857 3.269 1.00 55.42 C ATOM 685 O ASP A 40 -10.672 -22.281 4.360 1.00 54.00 O ATOM 686 CB ASP A 40 -11.040 -23.671 1.759 1.00 11.34 C ATOM 687 CG ASP A 40 -12.007 -24.497 2.611 1.00 55.40 C ATOM 688 OD1 ASP A 40 -12.847 -23.947 3.336 1.00 20.22 O ATOM 689 OD2 ASP A 40 -11.870 -25.775 2.507 1.00 14.32 O ATOM 0 H ASP A 40 -9.575 -21.730 0.620 1.00 65.12 H new ATOM 0 HA ASP A 40 -12.132 -21.850 2.105 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -11.251 -23.863 0.707 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -10.024 -24.019 1.949 1.00 11.34 H new ATOM 695 N ILE A 41 -9.206 -21.125 3.084 1.00 65.22 N ATOM 696 CA ILE A 41 -8.352 -20.758 4.200 1.00 75.43 C ATOM 697 C ILE A 41 -9.035 -19.664 5.023 1.00 34.44 C ATOM 698 O ILE A 41 -10.001 -19.053 4.568 1.00 24.44 O ATOM 699 CB ILE A 41 -6.957 -20.373 3.704 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.842 -18.859 3.512 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.596 -21.142 2.431 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.725 -18.515 2.525 1.00 2.30 C ATOM 0 H ILE A 41 -8.896 -20.776 2.177 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.206 -21.611 4.863 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.232 -20.657 4.467 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.789 -18.462 3.147 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.644 -18.381 4.471 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.600 -20.850 2.100 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.611 -22.212 2.636 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.320 -20.912 1.649 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.665 -17.433 2.407 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.775 -18.892 2.904 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.938 -18.974 1.560 1.00 2.30 H new ATOM 714 N PRO A 42 -8.495 -19.446 6.251 1.00 50.44 N ATOM 715 CA PRO A 42 -9.042 -18.438 7.142 1.00 24.42 C ATOM 716 C PRO A 42 -8.652 -17.031 6.683 1.00 24.50 C ATOM 717 O PRO A 42 -7.473 -16.743 6.485 1.00 43.12 O ATOM 718 CB PRO A 42 -8.494 -18.786 8.516 1.00 64.40 C ATOM 719 CG PRO A 42 -7.298 -19.690 8.271 1.00 30.21 C ATOM 720 CD PRO A 42 -7.352 -20.152 6.824 1.00 32.44 C ATOM 0 HA PRO A 42 -10.132 -18.434 7.152 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.200 -17.887 9.058 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.248 -19.291 9.121 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.369 -19.155 8.467 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.321 -20.545 8.946 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.430 -19.908 6.296 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.480 -21.232 6.758 1.00 32.44 H new ATOM 728 N GLU A 43 -9.666 -16.191 6.527 1.00 42.44 N ATOM 729 CA GLU A 43 -9.446 -14.822 6.094 1.00 50.22 C ATOM 730 C GLU A 43 -8.618 -14.065 7.134 1.00 11.31 C ATOM 731 O GLU A 43 -8.756 -14.300 8.334 1.00 21.42 O ATOM 732 CB GLU A 43 -10.772 -14.111 5.823 1.00 1.13 C ATOM 733 CG GLU A 43 -10.542 -12.770 5.124 1.00 32.10 C ATOM 734 CD GLU A 43 -11.857 -12.003 4.965 1.00 74.43 C ATOM 735 OE1 GLU A 43 -12.093 -11.389 3.912 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.648 -12.060 5.981 1.00 12.44 O ATOM 0 H GLU A 43 -10.643 -16.433 6.693 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.888 -14.842 5.158 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.408 -14.744 5.204 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.301 -13.950 6.762 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.835 -12.172 5.699 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -10.094 -12.938 4.145 1.00 32.10 H new ATOM 744 N ILE A 44 -7.777 -13.170 6.638 1.00 60.22 N ATOM 745 CA ILE A 44 -6.927 -12.376 7.509 1.00 23.32 C ATOM 746 C ILE A 44 -7.795 -11.397 8.304 1.00 4.52 C ATOM 747 O ILE A 44 -8.930 -11.117 7.923 1.00 3.42 O ATOM 748 CB ILE A 44 -5.816 -11.699 6.705 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.814 -11.006 7.630 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.398 -10.739 5.666 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.442 -10.886 6.961 1.00 33.21 C ATOM 0 H ILE A 44 -7.666 -12.977 5.643 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.419 -13.015 8.232 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.270 -12.469 6.160 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.182 -10.014 7.893 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.722 -11.569 8.559 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.587 -10.271 5.108 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -7.039 -11.291 4.979 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.983 -9.969 6.169 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.748 -10.390 7.640 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -3.066 -11.881 6.721 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.534 -10.302 6.045 1.00 33.21 H new ATOM 763 N ASP A 45 -7.225 -10.903 9.394 1.00 33.03 N ATOM 764 CA ASP A 45 -7.932 -9.960 10.246 1.00 71.14 C ATOM 765 C ASP A 45 -8.197 -8.673 9.464 1.00 0.43 C ATOM 766 O ASP A 45 -9.304 -8.138 9.498 1.00 74.13 O ATOM 767 CB ASP A 45 -7.100 -9.602 11.480 1.00 41.02 C ATOM 768 CG ASP A 45 -5.587 -9.580 11.255 1.00 61.43 C ATOM 769 OD1 ASP A 45 -4.799 -9.653 12.210 1.00 63.25 O ATOM 770 OD2 ASP A 45 -5.220 -9.480 10.021 1.00 2.34 O ATOM 0 H ASP A 45 -6.283 -11.137 9.707 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.865 -10.425 10.563 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -7.413 -8.622 11.839 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -7.324 -10.318 12.271 1.00 41.02 H new ATOM 776 N LYS A 46 -7.162 -8.212 8.776 1.00 54.04 N ATOM 777 CA LYS A 46 -7.269 -6.996 7.988 1.00 51.14 C ATOM 778 C LYS A 46 -6.251 -7.043 6.847 1.00 4.32 C ATOM 779 O LYS A 46 -5.310 -7.835 6.882 1.00 25.51 O ATOM 780 CB LYS A 46 -7.134 -5.763 8.882 1.00 35.22 C ATOM 781 CG LYS A 46 -5.675 -5.527 9.274 1.00 72.31 C ATOM 782 CD LYS A 46 -5.034 -6.810 9.806 1.00 10.44 C ATOM 783 CE LYS A 46 -3.804 -6.496 10.660 1.00 5.34 C ATOM 784 NZ LYS A 46 -2.587 -6.455 9.819 1.00 3.44 N ATOM 0 H LYS A 46 -6.246 -8.659 8.748 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.257 -6.923 7.533 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -7.520 -4.887 8.360 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.739 -5.892 9.779 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.116 -5.169 8.409 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -5.621 -4.747 10.034 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -5.761 -7.365 10.399 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.748 -7.451 8.972 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -3.938 -5.538 11.163 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -3.691 -7.252 11.437 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -1.793 -6.077 10.375 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -2.356 -7.416 9.495 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -2.755 -5.843 8.995 1.00 3.44 H new ATOM 798 N ARG A 47 -6.472 -6.185 5.863 1.00 22.33 N ATOM 799 CA ARG A 47 -5.585 -6.117 4.714 1.00 73.31 C ATOM 800 C ARG A 47 -4.775 -4.820 4.742 1.00 10.15 C ATOM 801 O ARG A 47 -5.247 -3.780 4.286 1.00 4.24 O ATOM 802 CB ARG A 47 -6.373 -6.190 3.404 1.00 1.04 C ATOM 803 CG ARG A 47 -7.613 -5.293 3.460 1.00 52.44 C ATOM 804 CD ARG A 47 -8.305 -5.229 2.098 1.00 32.42 C ATOM 805 NE ARG A 47 -7.667 -4.196 1.252 1.00 24.35 N ATOM 806 CZ ARG A 47 -7.762 -4.155 -0.094 1.00 51.53 C ATOM 807 NH1 ARG A 47 -8.469 -5.092 -0.760 1.00 63.21 N ATOM 808 NH2 ARG A 47 -7.150 -3.186 -0.749 1.00 1.01 N ATOM 0 H ARG A 47 -7.253 -5.530 5.837 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.910 -6.971 4.767 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -5.736 -5.884 2.574 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -6.673 -7.220 3.213 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -8.309 -5.674 4.208 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -7.326 -4.289 3.774 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -8.247 -6.200 1.606 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -9.363 -5.001 2.229 1.00 32.42 H new ATOM 0 HE ARG A 47 -7.121 -3.469 1.715 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -8.937 -5.839 -0.246 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -8.536 -5.053 -1.777 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -6.616 -2.483 -0.238 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -7.211 -3.140 -1.766 1.00 1.01 H new ATOM 822 N LYS A 48 -3.570 -4.924 5.283 1.00 32.22 N ATOM 823 CA LYS A 48 -2.690 -3.771 5.378 1.00 13.13 C ATOM 824 C LYS A 48 -1.276 -4.242 5.723 1.00 65.41 C ATOM 825 O LYS A 48 -1.011 -4.644 6.855 1.00 32.21 O ATOM 826 CB LYS A 48 -3.255 -2.747 6.363 1.00 2.52 C ATOM 827 CG LYS A 48 -2.149 -1.836 6.902 1.00 31.03 C ATOM 828 CD LYS A 48 -1.562 -0.968 5.788 1.00 5.15 C ATOM 829 CE LYS A 48 -0.258 -0.306 6.239 1.00 62.34 C ATOM 830 NZ LYS A 48 0.087 0.822 5.342 1.00 61.43 N ATOM 0 H LYS A 48 -3.182 -5.789 5.660 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.630 -3.257 4.419 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -4.018 -2.145 5.870 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.741 -3.263 7.191 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -2.550 -1.199 7.691 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -1.361 -2.441 7.350 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -1.377 -1.579 4.905 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -2.283 -0.202 5.501 1.00 5.15 H new ATOM 0 HE2 LYS A 48 -0.361 0.054 7.263 1.00 62.34 H new ATOM 0 HE3 LYS A 48 0.549 -1.039 6.238 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 0.490 1.600 5.902 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 0.784 0.505 4.638 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 -0.770 1.154 4.856 1.00 61.43 H new ATOM 844 N TYR A 49 -0.405 -4.176 4.727 1.00 55.14 N ATOM 845 CA TYR A 49 0.975 -4.589 4.910 1.00 61.12 C ATOM 846 C TYR A 49 1.940 -3.555 4.329 1.00 45.23 C ATOM 847 O TYR A 49 1.606 -2.859 3.372 1.00 72.34 O ATOM 848 CB TYR A 49 1.128 -5.902 4.140 1.00 0.44 C ATOM 849 CG TYR A 49 0.586 -7.126 4.881 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.765 -7.235 5.138 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.449 -8.121 5.293 1.00 44.50 C ATOM 852 CE1 TYR A 49 -1.274 -8.387 5.836 1.00 40.03 C ATOM 853 CE2 TYR A 49 0.940 -9.273 5.991 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.397 -9.349 6.228 1.00 11.31 C ATOM 855 OH TYR A 49 -0.878 -10.437 6.886 1.00 30.03 O ATOM 0 H TYR A 49 -0.629 -3.842 3.790 1.00 55.14 H new ATOM 0 HA TYR A 49 1.205 -4.697 5.970 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.613 -5.812 3.183 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.184 -6.061 3.920 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.441 -6.457 4.816 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.507 -8.036 5.092 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -2.329 -8.485 6.044 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.605 -10.059 6.319 1.00 10.22 H new ATOM 0 HH TYR A 49 -0.962 -11.187 6.261 1.00 30.03 H new ATOM 865 N LEU A 50 3.119 -3.486 4.931 1.00 74.33 N ATOM 866 CA LEU A 50 4.134 -2.548 4.485 1.00 43.30 C ATOM 867 C LEU A 50 5.488 -3.259 4.423 1.00 30.44 C ATOM 868 O LEU A 50 6.319 -3.095 5.314 1.00 14.21 O ATOM 869 CB LEU A 50 4.135 -1.298 5.367 1.00 73.54 C ATOM 870 CG LEU A 50 5.092 -0.181 4.947 1.00 22.24 C ATOM 871 CD1 LEU A 50 5.117 -0.021 3.426 1.00 24.21 C ATOM 872 CD2 LEU A 50 4.749 1.129 5.656 1.00 4.24 C ATOM 0 H LEU A 50 3.393 -4.065 5.724 1.00 74.33 H new ATOM 0 HA LEU A 50 3.911 -2.197 3.477 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.123 -0.893 5.390 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.382 -1.597 6.386 1.00 73.54 H new ATOM 0 HG LEU A 50 6.099 -0.461 5.256 1.00 22.24 H new ATOM 0 HD11 LEU A 50 5.805 0.780 3.156 1.00 24.21 H new ATOM 0 HD12 LEU A 50 5.447 -0.953 2.967 1.00 24.21 H new ATOM 0 HD13 LEU A 50 4.117 0.225 3.070 1.00 24.21 H new ATOM 0 HD21 LEU A 50 5.444 1.907 5.340 1.00 4.24 H new ATOM 0 HD22 LEU A 50 3.732 1.426 5.400 1.00 4.24 H new ATOM 0 HD23 LEU A 50 4.826 0.990 6.734 1.00 4.24 H new ATOM 884 N VAL A 51 5.666 -4.035 3.365 1.00 34.04 N ATOM 885 CA VAL A 51 6.905 -4.772 3.176 1.00 63.40 C ATOM 886 C VAL A 51 7.973 -3.829 2.618 1.00 40.31 C ATOM 887 O VAL A 51 7.654 -2.865 1.925 1.00 53.13 O ATOM 888 CB VAL A 51 6.657 -5.991 2.285 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.817 -7.041 3.013 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.001 -5.582 0.965 1.00 42.33 C ATOM 0 H VAL A 51 4.973 -4.170 2.629 1.00 34.04 H new ATOM 0 HA VAL A 51 7.274 -5.153 4.128 1.00 63.40 H new ATOM 0 HB VAL A 51 7.624 -6.438 2.053 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.656 -7.897 2.357 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.341 -7.366 3.912 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.855 -6.609 3.290 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.836 -6.467 0.351 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.046 -5.098 1.168 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.653 -4.889 0.434 1.00 42.33 H new ATOM 900 N PRO A 52 9.252 -4.151 2.949 1.00 31.35 N ATOM 901 CA PRO A 52 10.371 -3.344 2.490 1.00 52.22 C ATOM 902 C PRO A 52 10.654 -3.597 1.008 1.00 45.42 C ATOM 903 O PRO A 52 9.953 -4.373 0.360 1.00 24.12 O ATOM 904 CB PRO A 52 11.532 -3.732 3.392 1.00 72.44 C ATOM 905 CG PRO A 52 11.150 -5.065 4.012 1.00 72.05 C ATOM 906 CD PRO A 52 9.666 -5.287 3.768 1.00 62.34 C ATOM 0 HA PRO A 52 10.175 -2.274 2.556 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.458 -3.817 2.823 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.699 -2.977 4.161 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.734 -5.872 3.570 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.365 -5.064 5.081 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.486 -6.232 3.255 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.111 -5.323 4.706 1.00 62.34 H new ATOM 914 N ALA A 53 11.686 -2.927 0.513 1.00 53.20 N ATOM 915 CA ALA A 53 12.071 -3.069 -0.880 1.00 13.10 C ATOM 916 C ALA A 53 13.153 -4.145 -0.998 1.00 64.41 C ATOM 917 O ALA A 53 13.856 -4.213 -2.005 1.00 65.24 O ATOM 918 CB ALA A 53 12.534 -1.714 -1.421 1.00 72.45 C ATOM 0 H ALA A 53 12.266 -2.285 1.053 1.00 53.20 H new ATOM 0 HA ALA A 53 11.221 -3.389 -1.483 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.823 -1.819 -2.467 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.721 -0.993 -1.340 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.388 -1.364 -0.842 1.00 72.45 H new ATOM 924 N ASP A 54 13.250 -4.957 0.044 1.00 11.31 N ATOM 925 CA ASP A 54 14.234 -6.026 0.069 1.00 24.43 C ATOM 926 C ASP A 54 13.515 -7.372 0.172 1.00 24.43 C ATOM 927 O ASP A 54 13.959 -8.364 -0.404 1.00 72.41 O ATOM 928 CB ASP A 54 15.162 -5.892 1.277 1.00 32.13 C ATOM 929 CG ASP A 54 15.357 -4.464 1.787 1.00 4.14 C ATOM 930 OD1 ASP A 54 15.212 -4.188 2.987 1.00 20.21 O ATOM 931 OD2 ASP A 54 15.678 -3.600 0.882 1.00 61.44 O ATOM 0 H ASP A 54 12.664 -4.896 0.877 1.00 11.31 H new ATOM 0 HA ASP A 54 14.823 -5.964 -0.846 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.766 -6.501 2.090 1.00 32.13 H new ATOM 0 HB3 ASP A 54 16.136 -6.304 1.015 1.00 32.13 H new ATOM 937 N LEU A 55 12.416 -7.365 0.912 1.00 53.33 N ATOM 938 CA LEU A 55 11.630 -8.573 1.099 1.00 33.10 C ATOM 939 C LEU A 55 11.127 -9.064 -0.260 1.00 55.22 C ATOM 940 O LEU A 55 10.602 -8.283 -1.051 1.00 73.35 O ATOM 941 CB LEU A 55 10.514 -8.334 2.118 1.00 22.25 C ATOM 942 CG LEU A 55 9.962 -9.581 2.813 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.314 -9.580 4.302 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.457 -9.716 2.580 1.00 41.11 C ATOM 0 H LEU A 55 12.051 -6.541 1.390 1.00 53.33 H new ATOM 0 HA LEU A 55 12.247 -9.368 1.518 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.887 -7.651 2.882 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.690 -7.829 1.613 1.00 22.25 H new ATOM 0 HG LEU A 55 10.436 -10.457 2.371 1.00 42.04 H new ATOM 0 HD11 LEU A 55 9.910 -10.477 4.772 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.398 -9.565 4.420 1.00 33.21 H new ATOM 0 HD13 LEU A 55 9.886 -8.697 4.777 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.090 -10.610 3.084 1.00 41.11 H new ATOM 0 HD22 LEU A 55 7.947 -8.839 2.979 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.260 -9.796 1.511 1.00 41.11 H new ATOM 956 N THR A 56 11.304 -10.357 -0.489 1.00 33.54 N ATOM 957 CA THR A 56 10.875 -10.963 -1.737 1.00 20.24 C ATOM 958 C THR A 56 9.468 -11.547 -1.590 1.00 22.22 C ATOM 959 O THR A 56 8.918 -11.581 -0.491 1.00 33.44 O ATOM 960 CB THR A 56 11.923 -11.997 -2.146 1.00 3.12 C ATOM 961 OG1 THR A 56 11.650 -13.119 -1.312 1.00 4.55 O ATOM 962 CG2 THR A 56 13.343 -11.579 -1.754 1.00 24.15 C ATOM 0 H THR A 56 11.739 -11.002 0.170 1.00 33.54 H new ATOM 0 HA THR A 56 10.803 -10.221 -2.533 1.00 20.24 H new ATOM 0 HB THR A 56 11.875 -12.154 -3.223 1.00 3.12 H new ATOM 0 HG1 THR A 56 12.284 -13.838 -1.513 1.00 4.55 H new ATOM 0 HG21 THR A 56 14.048 -12.349 -2.068 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.593 -10.637 -2.242 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.400 -11.453 -0.673 1.00 24.15 H new ATOM 970 N VAL A 57 8.928 -11.993 -2.716 1.00 60.44 N ATOM 971 CA VAL A 57 7.596 -12.575 -2.726 1.00 24.01 C ATOM 972 C VAL A 57 7.563 -13.780 -1.782 1.00 24.23 C ATOM 973 O VAL A 57 6.739 -13.836 -0.871 1.00 23.23 O ATOM 974 CB VAL A 57 7.191 -12.928 -4.158 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.214 -14.106 -4.179 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.599 -11.713 -4.875 1.00 3.30 C ATOM 0 H VAL A 57 9.388 -11.963 -3.626 1.00 60.44 H new ATOM 0 HA VAL A 57 6.862 -11.856 -2.362 1.00 24.01 H new ATOM 0 HB VAL A 57 8.090 -13.230 -4.695 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.943 -14.335 -5.209 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.685 -14.978 -3.725 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.317 -13.845 -3.617 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.319 -11.991 -5.891 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.716 -11.368 -4.337 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.339 -10.914 -4.908 1.00 3.30 H new ATOM 986 N GLY A 58 8.470 -14.713 -2.034 1.00 11.12 N ATOM 987 CA GLY A 58 8.554 -15.913 -1.217 1.00 42.23 C ATOM 988 C GLY A 58 8.843 -15.562 0.244 1.00 73.23 C ATOM 989 O GLY A 58 8.700 -16.405 1.128 1.00 60.02 O ATOM 0 H GLY A 58 9.152 -14.663 -2.791 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.619 -16.469 -1.283 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.339 -16.564 -1.601 1.00 42.23 H new ATOM 993 N GLN A 59 9.246 -14.318 0.452 1.00 64.11 N ATOM 994 CA GLN A 59 9.557 -13.846 1.791 1.00 61.51 C ATOM 995 C GLN A 59 8.302 -13.280 2.459 1.00 64.21 C ATOM 996 O GLN A 59 8.193 -13.278 3.684 1.00 44.31 O ATOM 997 CB GLN A 59 10.677 -12.805 1.759 1.00 30.41 C ATOM 998 CG GLN A 59 11.990 -13.426 1.278 1.00 65.32 C ATOM 999 CD GLN A 59 12.864 -13.847 2.462 1.00 74.31 C ATOM 1000 OE1 GLN A 59 12.992 -15.015 2.788 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.454 -12.831 3.086 1.00 1.14 N ATOM 0 H GLN A 59 9.365 -13.622 -0.284 1.00 64.11 H new ATOM 0 HA GLN A 59 9.909 -14.692 2.381 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.396 -11.984 1.100 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.814 -12.382 2.754 1.00 30.41 H new ATOM 0 HG2 GLN A 59 11.779 -14.292 0.651 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.530 -12.709 0.659 1.00 65.32 H new ATOM 0 HE21 GLN A 59 13.304 -11.876 2.760 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.057 -13.007 3.890 1.00 1.14 H new ATOM 1010 N PHE A 60 7.384 -12.813 1.624 1.00 0.21 N ATOM 1011 CA PHE A 60 6.141 -12.246 2.119 1.00 52.15 C ATOM 1012 C PHE A 60 5.181 -13.346 2.578 1.00 43.15 C ATOM 1013 O PHE A 60 4.638 -13.280 3.680 1.00 50.40 O ATOM 1014 CB PHE A 60 5.504 -11.483 0.955 1.00 50.40 C ATOM 1015 CG PHE A 60 4.256 -10.688 1.343 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.356 -9.639 2.204 1.00 51.21 C ATOM 1017 CD2 PHE A 60 3.045 -11.029 0.827 1.00 61.34 C ATOM 1018 CE1 PHE A 60 3.197 -8.902 2.565 1.00 1.22 C ATOM 1019 CE2 PHE A 60 1.887 -10.292 1.187 1.00 62.21 C ATOM 1020 CZ PHE A 60 1.986 -9.244 2.047 1.00 23.01 C ATOM 0 H PHE A 60 7.477 -12.816 0.608 1.00 0.21 H new ATOM 0 HA PHE A 60 6.341 -11.597 2.971 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.242 -10.800 0.534 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.242 -12.192 0.169 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.318 -9.367 2.613 1.00 51.21 H new ATOM 0 HD2 PHE A 60 2.964 -11.861 0.143 1.00 61.34 H new ATOM 0 HE1 PHE A 60 3.277 -8.071 3.250 1.00 1.22 H new ATOM 0 HE2 PHE A 60 0.926 -10.564 0.777 1.00 62.21 H new ATOM 0 HZ PHE A 60 1.104 -8.683 2.319 1.00 23.01 H new ATOM 1030 N VAL A 61 5.002 -14.331 1.710 1.00 32.35 N ATOM 1031 CA VAL A 61 4.118 -15.443 2.013 1.00 5.44 C ATOM 1032 C VAL A 61 4.322 -15.871 3.467 1.00 71.34 C ATOM 1033 O VAL A 61 3.359 -16.165 4.173 1.00 5.54 O ATOM 1034 CB VAL A 61 4.348 -16.581 1.017 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.648 -17.863 1.477 1.00 42.22 C ATOM 1036 CG2 VAL A 61 3.893 -16.182 -0.388 1.00 73.01 C ATOM 0 H VAL A 61 5.454 -14.382 0.797 1.00 32.35 H new ATOM 0 HA VAL A 61 3.076 -15.141 1.907 1.00 5.44 H new ATOM 0 HB VAL A 61 5.419 -16.779 0.978 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.828 -18.656 0.751 1.00 42.22 H new ATOM 0 HG12 VAL A 61 4.041 -18.164 2.448 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.576 -17.683 1.560 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.068 -17.009 -1.076 1.00 73.01 H new ATOM 0 HG22 VAL A 61 2.830 -15.942 -0.372 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.457 -15.310 -0.719 1.00 73.01 H new ATOM 1046 N TYR A 62 5.584 -15.890 3.874 1.00 14.20 N ATOM 1047 CA TYR A 62 5.927 -16.277 5.231 1.00 74.54 C ATOM 1048 C TYR A 62 5.111 -15.481 6.251 1.00 34.14 C ATOM 1049 O TYR A 62 4.594 -16.043 7.215 1.00 35.32 O ATOM 1050 CB TYR A 62 7.409 -15.938 5.405 1.00 44.14 C ATOM 1051 CG TYR A 62 7.794 -15.545 6.831 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.425 -16.347 7.892 1.00 62.34 C ATOM 1053 CD2 TYR A 62 8.511 -14.387 7.059 1.00 22.21 C ATOM 1054 CE1 TYR A 62 7.789 -15.978 9.236 1.00 24.35 C ATOM 1055 CE2 TYR A 62 8.874 -14.017 8.402 1.00 24.10 C ATOM 1056 CZ TYR A 62 8.495 -14.829 9.425 1.00 2.21 C ATOM 1057 OH TYR A 62 8.838 -14.480 10.693 1.00 63.13 O ATOM 0 H TYR A 62 6.381 -15.643 3.287 1.00 14.20 H new ATOM 0 HA TYR A 62 5.718 -17.335 5.392 1.00 74.54 H new ATOM 0 HB2 TYR A 62 8.006 -16.799 5.103 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.665 -15.120 4.732 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.863 -17.252 7.714 1.00 62.34 H new ATOM 0 HD2 TYR A 62 8.800 -13.759 6.229 1.00 22.21 H new ATOM 0 HE1 TYR A 62 7.508 -16.598 10.074 1.00 24.35 H new ATOM 0 HE2 TYR A 62 9.435 -13.114 8.593 1.00 24.10 H new ATOM 0 HH TYR A 62 9.340 -13.638 10.676 1.00 63.13 H new ATOM 1067 N VAL A 63 5.020 -14.181 6.005 1.00 52.24 N ATOM 1068 CA VAL A 63 4.277 -13.302 6.889 1.00 35.03 C ATOM 1069 C VAL A 63 2.794 -13.676 6.846 1.00 4.02 C ATOM 1070 O VAL A 63 2.143 -13.772 7.886 1.00 23.34 O ATOM 1071 CB VAL A 63 4.536 -11.841 6.514 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.643 -10.899 7.324 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.013 -11.483 6.690 1.00 44.31 C ATOM 0 H VAL A 63 5.450 -13.717 5.205 1.00 52.24 H new ATOM 0 HA VAL A 63 4.613 -13.424 7.919 1.00 35.03 H new ATOM 0 HB VAL A 63 4.284 -11.717 5.461 1.00 11.21 H new ATOM 0 HG11 VAL A 63 3.848 -9.867 7.037 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.596 -11.130 7.126 1.00 65.32 H new ATOM 0 HG13 VAL A 63 3.848 -11.028 8.387 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.170 -10.439 6.417 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.302 -11.633 7.730 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.621 -12.121 6.049 1.00 44.31 H new ATOM 1083 N ILE A 64 2.303 -13.879 5.632 1.00 25.51 N ATOM 1084 CA ILE A 64 0.910 -14.242 5.439 1.00 30.30 C ATOM 1085 C ILE A 64 0.627 -15.564 6.155 1.00 3.31 C ATOM 1086 O ILE A 64 -0.474 -15.777 6.661 1.00 53.34 O ATOM 1087 CB ILE A 64 0.562 -14.263 3.950 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.116 -13.026 3.240 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.946 -14.417 3.740 1.00 22.42 C ATOM 1090 CD1 ILE A 64 0.967 -11.779 4.115 1.00 35.01 C ATOM 0 H ILE A 64 2.846 -13.799 4.772 1.00 25.51 H new ATOM 0 HA ILE A 64 0.257 -13.492 5.884 1.00 30.30 H new ATOM 0 HB ILE A 64 1.040 -15.134 3.501 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.167 -13.181 2.998 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.590 -12.878 2.297 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.165 -14.429 2.672 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.283 -15.351 4.190 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.466 -13.581 4.208 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.368 -10.914 3.587 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.088 -11.613 4.335 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.514 -11.921 5.047 1.00 35.01 H new ATOM 1102 N ARG A 65 1.640 -16.417 6.176 1.00 63.25 N ATOM 1103 CA ARG A 65 1.516 -17.713 6.820 1.00 61.31 C ATOM 1104 C ARG A 65 1.683 -17.570 8.335 1.00 12.01 C ATOM 1105 O ARG A 65 1.554 -18.547 9.072 1.00 41.52 O ATOM 1106 CB ARG A 65 2.560 -18.696 6.289 1.00 31.34 C ATOM 1107 CG ARG A 65 2.161 -20.141 6.600 1.00 61.42 C ATOM 1108 CD ARG A 65 1.310 -20.730 5.472 1.00 12.15 C ATOM 1109 NE ARG A 65 1.966 -20.492 4.167 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.858 -21.335 3.604 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.210 -22.479 4.229 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.382 -21.023 2.433 1.00 34.13 N ATOM 0 H ARG A 65 2.552 -16.235 5.757 1.00 63.25 H new ATOM 0 HA ARG A 65 0.523 -18.101 6.595 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.670 -18.569 5.212 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.530 -18.479 6.736 1.00 31.34 H new ATOM 0 HG2 ARG A 65 3.056 -20.747 6.740 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.604 -20.175 7.536 1.00 61.42 H new ATOM 0 HD2 ARG A 65 1.172 -21.800 5.630 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.319 -20.277 5.478 1.00 12.15 H new ATOM 0 HE ARG A 65 1.730 -19.638 3.661 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.801 -22.712 5.134 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.885 -23.110 3.796 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.112 -20.156 1.968 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.057 -21.648 1.994 1.00 34.13 H new ATOM 1126 N LYS A 66 1.969 -16.346 8.753 1.00 55.44 N ATOM 1127 CA LYS A 66 2.156 -16.063 10.166 1.00 1.33 C ATOM 1128 C LYS A 66 0.830 -15.596 10.769 1.00 70.51 C ATOM 1129 O LYS A 66 0.427 -16.065 11.832 1.00 24.42 O ATOM 1130 CB LYS A 66 3.306 -15.074 10.367 1.00 12.24 C ATOM 1131 CG LYS A 66 4.576 -15.795 10.821 1.00 14.13 C ATOM 1132 CD LYS A 66 5.409 -14.906 11.748 1.00 31.51 C ATOM 1133 CE LYS A 66 6.332 -15.747 12.632 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.684 -16.040 13.928 1.00 62.23 N ATOM 0 H LYS A 66 2.076 -15.539 8.138 1.00 55.44 H new ATOM 0 HA LYS A 66 2.447 -16.967 10.700 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.499 -14.541 9.436 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.023 -14.327 11.109 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.310 -16.717 11.338 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.169 -16.077 9.951 1.00 14.13 H new ATOM 0 HD2 LYS A 66 6.003 -14.211 11.154 1.00 31.51 H new ATOM 0 HD3 LYS A 66 4.748 -14.307 12.374 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.581 -16.679 12.125 1.00 71.45 H new ATOM 0 HE3 LYS A 66 7.269 -15.215 12.799 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.325 -16.611 14.515 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 5.469 -15.148 14.418 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 4.802 -16.567 13.764 1.00 62.23 H new ATOM 1148 N ARG A 67 0.189 -14.676 10.062 1.00 1.25 N ATOM 1149 CA ARG A 67 -1.084 -14.139 10.515 1.00 11.04 C ATOM 1150 C ARG A 67 -2.063 -15.276 10.812 1.00 10.11 C ATOM 1151 O ARG A 67 -2.560 -15.393 11.932 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.696 -13.211 9.462 1.00 53.20 C ATOM 1153 CG ARG A 67 -1.357 -11.749 9.757 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.264 -11.187 10.854 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.665 -11.437 12.185 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.670 -10.698 12.718 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.152 -9.654 12.039 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.210 -11.013 13.915 1.00 2.44 N ATOM 0 H ARG A 67 0.526 -14.289 9.180 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.899 -13.567 11.424 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.325 -13.482 8.474 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.778 -13.340 9.443 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.315 -11.669 10.065 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -1.468 -11.156 8.849 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.407 -10.117 10.706 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -3.249 -11.651 10.796 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.027 -12.217 12.733 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.512 -9.418 11.115 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.600 -9.101 12.450 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -0.607 -11.804 14.422 1.00 2.44 H new ATOM 0 HH22 ARG A 67 0.542 -10.465 14.333 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.311 -16.083 9.794 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.222 -17.206 9.933 1.00 51.02 C ATOM 1174 C ILE A 68 -2.471 -18.396 10.533 1.00 1.12 C ATOM 1175 O ILE A 68 -3.064 -19.440 10.800 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.898 -17.518 8.597 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.878 -17.526 7.454 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -5.051 -16.550 8.326 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.410 -18.303 6.249 1.00 64.50 C ATOM 0 H ILE A 68 -1.897 -15.982 8.867 1.00 74.21 H new ATOM 0 HA ILE A 68 -4.029 -16.957 10.622 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.324 -18.519 8.657 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.650 -16.502 7.159 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.946 -17.974 7.797 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.514 -16.794 7.370 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.792 -16.635 9.121 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.669 -15.529 8.294 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.666 -18.293 5.452 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.614 -19.333 6.542 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.329 -17.838 5.893 1.00 64.50 H new ATOM 1191 N MET A 69 -1.176 -18.199 10.729 1.00 12.12 N ATOM 1192 CA MET A 69 -0.336 -19.242 11.294 1.00 64.34 C ATOM 1193 C MET A 69 -0.666 -20.605 10.679 1.00 52.33 C ATOM 1194 O MET A 69 -0.768 -21.601 11.391 1.00 32.01 O ATOM 1195 CB MET A 69 -0.544 -19.302 12.809 1.00 12.53 C ATOM 1196 CG MET A 69 -1.990 -19.672 13.149 1.00 10.21 C ATOM 1197 SD MET A 69 -2.128 -20.054 14.887 1.00 12.40 S ATOM 1198 CE MET A 69 -3.122 -18.675 15.429 1.00 45.12 C ATOM 0 H MET A 69 -0.687 -17.332 10.507 1.00 12.12 H new ATOM 0 HA MET A 69 0.704 -19.005 11.071 1.00 64.34 H new ATOM 0 HB2 MET A 69 0.135 -20.035 13.244 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.298 -18.337 13.252 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.655 -18.846 12.896 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.305 -20.529 12.553 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.305 -18.757 16.500 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.596 -17.743 15.221 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.074 -18.681 14.897 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.825 -20.600 9.364 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.141 -21.824 8.645 1.00 10.14 C ATOM 1210 C LEU A 70 0.006 -22.821 8.815 1.00 2.25 C ATOM 1211 O LEU A 70 1.174 -22.438 8.801 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.477 -21.515 7.185 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.633 -22.315 6.579 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.823 -22.369 7.538 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -3.024 -21.758 5.209 1.00 2.24 C ATOM 0 H LEU A 70 -0.741 -19.770 8.778 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.033 -22.291 9.061 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.714 -20.454 7.104 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.585 -21.690 6.583 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.297 -23.341 6.426 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.631 -22.943 7.084 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.518 -22.846 8.469 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.169 -21.357 7.745 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.847 -22.344 4.800 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.335 -20.719 5.314 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.169 -21.814 4.536 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.377 -24.116 8.977 1.00 43.24 N ATOM 1228 CA PRO A 71 0.606 -25.172 9.149 1.00 13.55 C ATOM 1229 C PRO A 71 1.291 -25.505 7.822 1.00 75.31 C ATOM 1230 O PRO A 71 0.864 -25.042 6.766 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.172 -26.344 9.726 1.00 61.24 C ATOM 1232 CG PRO A 71 -1.635 -26.063 9.422 1.00 24.13 C ATOM 1233 CD PRO A 71 -1.752 -24.608 9.000 1.00 33.31 C ATOM 0 HA PRO A 71 1.420 -24.885 9.815 1.00 13.55 H new ATOM 0 HB2 PRO A 71 0.147 -27.284 9.276 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.006 -26.432 10.800 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -1.993 -26.720 8.630 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.251 -26.257 10.300 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.222 -24.516 8.021 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.364 -24.040 9.701 1.00 33.31 H new ATOM 1241 N PRO A 72 2.372 -26.324 7.924 1.00 11.43 N ATOM 1242 CA PRO A 72 3.121 -26.724 6.746 1.00 73.31 C ATOM 1243 C PRO A 72 2.355 -27.776 5.940 1.00 14.34 C ATOM 1244 O PRO A 72 2.829 -28.231 4.900 1.00 14.13 O ATOM 1245 CB PRO A 72 4.450 -27.237 7.278 1.00 1.11 C ATOM 1246 CG PRO A 72 4.220 -27.537 8.750 1.00 12.50 C ATOM 1247 CD PRO A 72 2.907 -26.890 9.159 1.00 2.00 C ATOM 0 HA PRO A 72 3.277 -25.901 6.049 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.767 -28.132 6.742 1.00 1.11 H new ATOM 0 HB3 PRO A 72 5.236 -26.493 7.149 1.00 1.11 H new ATOM 0 HG2 PRO A 72 4.184 -28.613 8.919 1.00 12.50 H new ATOM 0 HG3 PRO A 72 5.041 -27.147 9.352 1.00 12.50 H new ATOM 0 HD2 PRO A 72 2.222 -27.621 9.589 1.00 2.00 H new ATOM 0 HD3 PRO A 72 3.064 -26.118 9.913 1.00 2.00 H new ATOM 1255 N GLU A 73 1.185 -28.130 6.450 1.00 4.32 N ATOM 1256 CA GLU A 73 0.349 -29.120 5.791 1.00 33.04 C ATOM 1257 C GLU A 73 -0.632 -28.435 4.837 1.00 15.04 C ATOM 1258 O GLU A 73 -1.510 -29.084 4.273 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.392 -29.980 6.816 1.00 51.24 C ATOM 1260 CG GLU A 73 -1.496 -29.179 7.510 1.00 33.54 C ATOM 1261 CD GLU A 73 -2.386 -30.090 8.357 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -3.589 -30.209 8.084 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -1.785 -30.688 9.329 1.00 11.00 O ATOM 0 H GLU A 73 0.795 -27.749 7.312 1.00 4.32 H new ATOM 0 HA GLU A 73 0.991 -29.780 5.208 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -0.825 -30.849 6.321 1.00 51.24 H new ATOM 0 HB3 GLU A 73 0.312 -30.354 7.559 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.050 -28.411 8.142 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.102 -28.665 6.763 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.449 -27.130 4.688 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.307 -26.351 3.813 1.00 74.24 C ATOM 1273 C LYS A 74 -0.451 -25.660 2.749 1.00 4.24 C ATOM 1274 O LYS A 74 0.769 -25.823 2.727 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.170 -25.386 4.629 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.276 -26.135 5.375 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.645 -25.856 4.753 1.00 31.31 C ATOM 1278 CE LYS A 74 -4.671 -26.261 3.278 1.00 43.12 C ATOM 1279 NZ LYS A 74 -4.515 -27.725 3.140 1.00 72.20 N ATOM 0 H LYS A 74 0.280 -26.594 5.158 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.006 -27.002 3.288 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -1.545 -24.848 5.342 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.613 -24.641 3.968 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.074 -27.206 5.352 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.281 -25.834 6.423 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.414 -26.404 5.298 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -4.882 -24.796 4.847 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -5.611 -25.945 2.825 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -3.871 -25.752 2.741 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -3.703 -27.931 2.524 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -4.354 -28.147 4.077 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -5.378 -28.128 2.722 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.122 -24.904 1.893 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.438 -24.190 0.829 1.00 13.52 C ATOM 1295 C ALA A 75 -1.035 -22.787 0.698 1.00 54.01 C ATOM 1296 O ALA A 75 -2.240 -22.603 0.866 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.538 -24.990 -0.471 1.00 3.35 C ATOM 0 H ALA A 75 -2.133 -24.770 1.915 1.00 2.43 H new ATOM 0 HA ALA A 75 0.621 -24.078 1.061 1.00 13.52 H new ATOM 0 HB1 ALA A 75 -0.024 -24.453 -1.269 1.00 3.35 H new ATOM 0 HB2 ALA A 75 -0.074 -25.967 -0.334 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.587 -25.121 -0.738 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.166 -21.833 0.398 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.592 -20.452 0.241 1.00 65.33 C ATOM 1305 C ILE A 76 0.119 -19.838 -0.965 1.00 4.31 C ATOM 1306 O ILE A 76 1.347 -19.795 -1.011 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.381 -19.677 1.541 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.551 -18.729 1.811 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.961 -18.941 1.529 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.349 -17.966 3.122 1.00 43.42 C ATOM 0 H ILE A 76 0.832 -21.989 0.259 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.662 -20.403 0.038 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.350 -20.392 2.363 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.649 -18.023 0.987 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.480 -19.297 1.856 1.00 33.21 H new ATOM 0 HG21 ILE A 76 1.086 -18.397 2.465 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.771 -19.662 1.417 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.983 -18.238 0.696 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.195 -17.300 3.289 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.276 -18.674 3.948 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.432 -17.380 3.064 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.683 -19.376 -1.913 1.00 12.42 N ATOM 1323 CA PHE A 77 -0.146 -18.765 -3.117 1.00 62.30 C ATOM 1324 C PHE A 77 -0.612 -17.313 -3.250 1.00 33.33 C ATOM 1325 O PHE A 77 -1.788 -17.014 -3.050 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.679 -19.569 -4.303 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.294 -21.050 -4.275 1.00 70.23 C ATOM 1328 CD1 PHE A 77 0.904 -21.450 -4.780 1.00 44.34 C ATOM 1329 CD2 PHE A 77 -1.150 -21.965 -3.745 1.00 4.54 C ATOM 1330 CE1 PHE A 77 1.262 -22.824 -4.752 1.00 41.05 C ATOM 1331 CE2 PHE A 77 -0.792 -23.340 -3.718 1.00 1.33 C ATOM 1332 CZ PHE A 77 0.407 -23.740 -4.223 1.00 35.23 C ATOM 0 H PHE A 77 -1.702 -19.413 -1.872 1.00 12.42 H new ATOM 0 HA PHE A 77 0.943 -18.767 -3.081 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.766 -19.487 -4.325 1.00 40.44 H new ATOM 0 HB3 PHE A 77 -0.307 -19.125 -5.226 1.00 40.44 H new ATOM 0 HD1 PHE A 77 1.582 -20.723 -5.202 1.00 44.34 H new ATOM 0 HD2 PHE A 77 -2.101 -21.647 -3.345 1.00 4.54 H new ATOM 0 HE1 PHE A 77 2.214 -23.142 -5.151 1.00 41.05 H new ATOM 0 HE2 PHE A 77 -1.471 -24.067 -3.297 1.00 1.33 H new ATOM 0 HZ PHE A 77 0.679 -24.785 -4.204 1.00 35.23 H new ATOM 1342 N ILE A 78 0.335 -16.450 -3.586 1.00 3.55 N ATOM 1343 CA ILE A 78 0.037 -15.037 -3.747 1.00 70.04 C ATOM 1344 C ILE A 78 -0.494 -14.791 -5.160 1.00 63.43 C ATOM 1345 O ILE A 78 0.026 -15.345 -6.127 1.00 62.34 O ATOM 1346 CB ILE A 78 1.259 -14.186 -3.393 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.933 -14.701 -2.119 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.884 -12.707 -3.286 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.323 -14.053 -0.875 1.00 44.32 C ATOM 0 H ILE A 78 1.309 -16.702 -3.751 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.746 -14.732 -3.053 1.00 70.04 H new ATOM 0 HB ILE A 78 1.985 -14.276 -4.201 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.825 -15.784 -2.059 1.00 31.40 H new ATOM 0 HG13 ILE A 78 3.001 -14.488 -2.157 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.770 -12.124 -3.034 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.483 -12.363 -4.240 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.131 -12.578 -2.508 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.820 -14.437 0.016 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.454 -12.972 -0.927 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.260 -14.288 -0.827 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.523 -13.960 -5.235 1.00 54.23 N ATOM 1362 CA PHE A 79 -2.130 -13.633 -6.515 1.00 2.04 C ATOM 1363 C PHE A 79 -2.211 -12.118 -6.714 1.00 53.42 C ATOM 1364 O PHE A 79 -2.762 -11.407 -5.875 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.548 -14.208 -6.497 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.653 -15.621 -7.075 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.373 -15.841 -8.388 1.00 30.00 C ATOM 1368 CD2 PHE A 79 -4.026 -16.657 -6.276 1.00 2.43 C ATOM 1369 CE1 PHE A 79 -3.472 -17.153 -8.925 1.00 1.54 C ATOM 1370 CE2 PHE A 79 -4.124 -17.968 -6.813 1.00 63.12 C ATOM 1371 CZ PHE A 79 -3.845 -18.188 -8.124 1.00 62.01 C ATOM 0 H PHE A 79 -1.952 -13.503 -4.430 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.532 -14.048 -7.326 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.912 -14.219 -5.470 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -4.205 -13.546 -7.061 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -3.076 -15.019 -9.022 1.00 30.00 H new ATOM 0 HD2 PHE A 79 -4.248 -16.482 -5.233 1.00 2.43 H new ATOM 0 HE1 PHE A 79 -3.251 -17.328 -9.968 1.00 1.54 H new ATOM 0 HE2 PHE A 79 -4.420 -18.790 -6.179 1.00 63.12 H new ATOM 0 HZ PHE A 79 -3.919 -19.186 -8.531 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.650 -11.669 -7.828 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.652 -10.252 -8.148 1.00 62.12 C ATOM 1383 C VAL A 80 -2.151 -10.057 -9.580 1.00 53.14 C ATOM 1384 O VAL A 80 -1.429 -10.339 -10.536 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.260 -9.661 -7.912 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.329 -8.141 -7.754 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.413 -10.310 -6.702 1.00 72.24 C ATOM 0 H VAL A 80 -1.191 -12.262 -8.520 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.335 -9.713 -7.491 1.00 62.12 H new ATOM 0 HB VAL A 80 0.350 -9.878 -8.789 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.673 -7.747 -7.587 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.747 -7.700 -8.659 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.963 -7.892 -6.903 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.400 -9.872 -6.557 1.00 72.24 H new ATOM 0 HG22 VAL A 80 -0.194 -10.139 -5.813 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.513 -11.382 -6.873 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.380 -9.575 -9.685 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.983 -9.339 -10.986 1.00 42.34 C ATOM 1399 C ASN A 81 -4.304 -10.682 -11.645 1.00 23.52 C ATOM 1400 O ASN A 81 -4.438 -10.762 -12.865 1.00 11.11 O ATOM 1401 CB ASN A 81 -3.028 -8.577 -11.907 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.171 -7.590 -11.111 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.638 -6.572 -10.628 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.894 -7.946 -11.002 1.00 23.44 N ATOM 0 H ASN A 81 -3.975 -9.341 -8.890 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.887 -8.748 -10.836 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.384 -9.282 -12.433 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.599 -8.040 -12.665 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.241 -7.353 -10.490 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.568 -8.812 -11.431 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.420 -11.702 -10.809 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.724 -13.038 -11.296 1.00 23.32 C ATOM 1413 C ASP A 82 -3.442 -13.689 -11.818 1.00 11.03 C ATOM 1414 O ASP A 82 -3.494 -14.586 -12.657 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.732 -12.989 -12.445 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.829 -11.933 -12.299 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -7.378 -11.441 -13.296 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.119 -11.613 -11.084 1.00 63.05 O ATOM 0 H ASP A 82 -4.309 -11.632 -9.797 1.00 73.32 H new ATOM 0 HA ASP A 82 -5.147 -13.610 -10.470 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.192 -12.804 -13.374 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.202 -13.968 -12.538 1.00 70.50 H new ATOM 1424 N THR A 83 -2.319 -13.213 -11.299 1.00 42.44 N ATOM 1425 CA THR A 83 -1.027 -13.737 -11.702 1.00 61.11 C ATOM 1426 C THR A 83 -0.231 -14.195 -10.478 1.00 21.15 C ATOM 1427 O THR A 83 -0.368 -13.627 -9.396 1.00 74.25 O ATOM 1428 CB THR A 83 -0.313 -12.660 -12.522 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.554 -13.394 -13.382 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.634 -11.810 -11.673 1.00 30.14 C ATOM 0 H THR A 83 -2.279 -12.469 -10.602 1.00 42.44 H new ATOM 0 HA THR A 83 -1.139 -14.622 -12.328 1.00 61.11 H new ATOM 0 HB THR A 83 -1.053 -12.015 -12.996 1.00 23.31 H new ATOM 0 HG1 THR A 83 1.054 -12.772 -13.950 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.115 -11.062 -12.303 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.069 -11.312 -10.885 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.394 -12.450 -11.225 1.00 30.14 H new ATOM 1438 N LEU A 84 0.583 -15.219 -10.691 1.00 12.33 N ATOM 1439 CA LEU A 84 1.400 -15.760 -9.617 1.00 64.22 C ATOM 1440 C LEU A 84 2.856 -15.340 -9.830 1.00 22.45 C ATOM 1441 O LEU A 84 3.540 -15.879 -10.699 1.00 1.12 O ATOM 1442 CB LEU A 84 1.206 -17.273 -9.506 1.00 62.51 C ATOM 1443 CG LEU A 84 0.318 -17.754 -8.357 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.209 -19.165 -8.623 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.055 -17.660 -7.019 1.00 5.15 C ATOM 0 H LEU A 84 0.694 -15.688 -11.590 1.00 12.33 H new ATOM 0 HA LEU A 84 1.087 -15.351 -8.656 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.781 -17.634 -10.443 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.186 -17.738 -9.400 1.00 62.51 H new ATOM 0 HG LEU A 84 -0.548 -17.094 -8.296 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.837 -19.482 -7.790 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.796 -19.167 -9.542 1.00 31.45 H new ATOM 0 HD13 LEU A 84 0.630 -19.853 -8.727 1.00 31.45 H new ATOM 0 HD21 LEU A 84 0.402 -18.008 -6.219 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.950 -18.281 -7.052 1.00 5.15 H new ATOM 0 HD23 LEU A 84 1.338 -16.624 -6.832 1.00 5.15 H new ATOM 1457 N PRO A 85 3.298 -14.359 -8.999 1.00 73.14 N ATOM 1458 CA PRO A 85 4.660 -13.861 -9.089 1.00 54.01 C ATOM 1459 C PRO A 85 5.651 -14.861 -8.489 1.00 31.32 C ATOM 1460 O PRO A 85 5.289 -15.647 -7.612 1.00 23.50 O ATOM 1461 CB PRO A 85 4.642 -12.530 -8.354 1.00 13.52 C ATOM 1462 CG PRO A 85 3.394 -12.551 -7.486 1.00 42.32 C ATOM 1463 CD PRO A 85 2.516 -13.699 -7.959 1.00 13.01 C ATOM 0 HA PRO A 85 4.991 -13.728 -10.119 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.539 -12.407 -7.746 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.616 -11.696 -9.056 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.661 -12.681 -6.437 1.00 42.32 H new ATOM 0 HG3 PRO A 85 2.859 -11.604 -7.564 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.285 -14.383 -7.143 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.565 -13.336 -8.349 1.00 13.01 H new ATOM 1471 N PRO A 86 6.910 -14.800 -8.997 1.00 12.01 N ATOM 1472 CA PRO A 86 7.954 -15.690 -8.520 1.00 0.14 C ATOM 1473 C PRO A 86 8.452 -15.262 -7.139 1.00 13.22 C ATOM 1474 O PRO A 86 8.013 -14.245 -6.604 1.00 70.44 O ATOM 1475 CB PRO A 86 9.035 -15.634 -9.587 1.00 21.33 C ATOM 1476 CG PRO A 86 8.769 -14.368 -10.386 1.00 1.45 C ATOM 1477 CD PRO A 86 7.372 -13.882 -10.034 1.00 12.41 C ATOM 0 HA PRO A 86 7.604 -16.713 -8.380 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.027 -15.610 -9.136 1.00 21.33 H new ATOM 0 HB3 PRO A 86 8.997 -16.515 -10.228 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.510 -13.604 -10.150 1.00 1.45 H new ATOM 0 HG3 PRO A 86 8.846 -14.567 -11.455 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.390 -12.854 -9.673 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.715 -13.903 -10.903 1.00 12.41 H new ATOM 1485 N THR A 87 9.365 -16.058 -6.600 1.00 44.33 N ATOM 1486 CA THR A 87 9.927 -15.774 -5.292 1.00 62.41 C ATOM 1487 C THR A 87 10.985 -14.672 -5.393 1.00 30.31 C ATOM 1488 O THR A 87 11.143 -13.871 -4.473 1.00 14.22 O ATOM 1489 CB THR A 87 10.469 -17.083 -4.715 1.00 10.12 C ATOM 1490 OG1 THR A 87 11.648 -17.334 -5.473 1.00 55.12 O ATOM 1491 CG2 THR A 87 9.564 -18.277 -5.025 1.00 50.43 C ATOM 0 H THR A 87 9.729 -16.900 -7.047 1.00 44.33 H new ATOM 0 HA THR A 87 9.167 -15.391 -4.611 1.00 62.41 H new ATOM 0 HB THR A 87 10.583 -16.985 -3.635 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.065 -18.165 -5.163 1.00 55.12 H new ATOM 0 HG21 THR A 87 9.994 -19.181 -4.593 1.00 50.43 H new ATOM 0 HG22 THR A 87 8.576 -18.105 -4.598 1.00 50.43 H new ATOM 0 HG23 THR A 87 9.477 -18.397 -6.105 1.00 50.43 H new ATOM 1499 N ALA A 88 11.680 -14.666 -6.523 1.00 71.44 N ATOM 1500 CA ALA A 88 12.718 -13.676 -6.757 1.00 13.45 C ATOM 1501 C ALA A 88 12.071 -12.359 -7.191 1.00 44.20 C ATOM 1502 O ALA A 88 12.766 -11.394 -7.504 1.00 63.25 O ATOM 1503 CB ALA A 88 13.706 -14.208 -7.794 1.00 64.41 C ATOM 0 H ALA A 88 11.544 -15.330 -7.285 1.00 71.44 H new ATOM 0 HA ALA A 88 13.278 -13.483 -5.842 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.484 -13.465 -7.969 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.159 -15.129 -7.426 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.180 -14.410 -8.727 1.00 64.41 H new ATOM 1509 N ALA A 89 10.745 -12.360 -7.197 1.00 34.45 N ATOM 1510 CA ALA A 89 9.996 -11.179 -7.587 1.00 73.43 C ATOM 1511 C ALA A 89 9.996 -10.176 -6.434 1.00 42.11 C ATOM 1512 O ALA A 89 8.938 -9.815 -5.919 1.00 30.52 O ATOM 1513 CB ALA A 89 8.582 -11.586 -8.007 1.00 61.45 C ATOM 0 H ALA A 89 10.171 -13.162 -6.937 1.00 34.45 H new ATOM 0 HA ALA A 89 10.463 -10.695 -8.444 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.020 -10.699 -8.300 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.637 -12.275 -8.850 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.080 -12.074 -7.171 1.00 61.45 H new ATOM 1519 N LEU A 90 11.195 -9.753 -6.059 1.00 64.42 N ATOM 1520 CA LEU A 90 11.346 -8.797 -4.974 1.00 63.51 C ATOM 1521 C LEU A 90 10.103 -7.909 -4.905 1.00 52.21 C ATOM 1522 O LEU A 90 9.799 -7.186 -5.852 1.00 54.01 O ATOM 1523 CB LEU A 90 12.652 -8.016 -5.127 1.00 34.25 C ATOM 1524 CG LEU A 90 13.891 -8.647 -4.488 1.00 71.21 C ATOM 1525 CD1 LEU A 90 15.170 -7.971 -4.984 1.00 54.54 C ATOM 1526 CD2 LEU A 90 13.789 -8.631 -2.961 1.00 41.31 C ATOM 0 H LEU A 90 12.070 -10.055 -6.487 1.00 64.42 H new ATOM 0 HA LEU A 90 11.421 -9.315 -4.018 1.00 63.51 H new ATOM 0 HB2 LEU A 90 12.847 -7.878 -6.191 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.511 -7.024 -4.697 1.00 34.25 H new ATOM 0 HG LEU A 90 13.939 -9.691 -4.797 1.00 71.21 H new ATOM 0 HD11 LEU A 90 16.035 -8.439 -4.514 1.00 54.54 H new ATOM 0 HD12 LEU A 90 15.242 -8.079 -6.066 1.00 54.54 H new ATOM 0 HD13 LEU A 90 15.146 -6.912 -4.726 1.00 54.54 H new ATOM 0 HD21 LEU A 90 14.682 -9.085 -2.532 1.00 41.31 H new ATOM 0 HD22 LEU A 90 13.702 -7.602 -2.613 1.00 41.31 H new ATOM 0 HD23 LEU A 90 12.910 -9.195 -2.649 1.00 41.31 H new ATOM 1538 N MET A 91 9.416 -7.994 -3.774 1.00 32.43 N ATOM 1539 CA MET A 91 8.212 -7.207 -3.569 1.00 22.31 C ATOM 1540 C MET A 91 8.366 -5.805 -4.162 1.00 44.01 C ATOM 1541 O MET A 91 7.384 -5.189 -4.573 1.00 41.02 O ATOM 1542 CB MET A 91 7.922 -7.100 -2.072 1.00 61.30 C ATOM 1543 CG MET A 91 7.779 -8.485 -1.440 1.00 10.20 C ATOM 1544 SD MET A 91 6.316 -9.294 -2.065 1.00 71.21 S ATOM 1545 CE MET A 91 5.140 -7.959 -1.924 1.00 3.14 C ATOM 0 H MET A 91 9.671 -8.596 -2.991 1.00 32.43 H new ATOM 0 HA MET A 91 7.384 -7.705 -4.074 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.727 -6.554 -1.580 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.007 -6.529 -1.915 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.660 -9.087 -1.661 1.00 10.20 H new ATOM 0 HG3 MET A 91 7.719 -8.394 -0.355 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.127 -8.359 -1.980 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.278 -7.452 -0.969 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.296 -7.250 -2.737 1.00 3.14 H new ATOM 1555 N SER A 92 9.607 -5.341 -4.188 1.00 61.22 N ATOM 1556 CA SER A 92 9.902 -4.023 -4.723 1.00 10.22 C ATOM 1557 C SER A 92 9.627 -3.997 -6.229 1.00 3.55 C ATOM 1558 O SER A 92 8.913 -3.122 -6.717 1.00 30.35 O ATOM 1559 CB SER A 92 11.353 -3.626 -4.442 1.00 12.35 C ATOM 1560 OG SER A 92 12.218 -4.758 -4.403 1.00 55.11 O ATOM 0 H SER A 92 10.420 -5.855 -3.847 1.00 61.22 H new ATOM 0 HA SER A 92 9.254 -3.300 -4.228 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.695 -2.934 -5.212 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.406 -3.096 -3.491 1.00 12.35 H new ATOM 0 HG SER A 92 12.809 -4.691 -3.624 1.00 55.11 H new ATOM 1566 N ALA A 93 10.209 -4.965 -6.922 1.00 51.43 N ATOM 1567 CA ALA A 93 10.036 -5.063 -8.360 1.00 44.32 C ATOM 1568 C ALA A 93 8.587 -5.444 -8.670 1.00 70.44 C ATOM 1569 O ALA A 93 8.167 -5.416 -9.827 1.00 35.31 O ATOM 1570 CB ALA A 93 11.038 -6.069 -8.928 1.00 51.33 C ATOM 0 H ALA A 93 10.801 -5.688 -6.513 1.00 51.43 H new ATOM 0 HA ALA A 93 10.234 -4.103 -8.837 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.908 -6.142 -10.008 1.00 51.33 H new ATOM 0 HB2 ALA A 93 12.052 -5.737 -8.707 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.869 -7.046 -8.475 1.00 51.33 H new ATOM 1576 N ILE A 94 7.862 -5.792 -7.618 1.00 40.34 N ATOM 1577 CA ILE A 94 6.469 -6.180 -7.763 1.00 0.42 C ATOM 1578 C ILE A 94 5.582 -4.941 -7.615 1.00 61.53 C ATOM 1579 O ILE A 94 4.678 -4.721 -8.418 1.00 44.40 O ATOM 1580 CB ILE A 94 6.120 -7.306 -6.788 1.00 24.11 C ATOM 1581 CG1 ILE A 94 6.943 -8.561 -7.086 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.619 -7.591 -6.793 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.474 -9.231 -8.379 1.00 10.40 C ATOM 0 H ILE A 94 8.213 -5.814 -6.661 1.00 40.34 H new ATOM 0 HA ILE A 94 6.289 -6.586 -8.758 1.00 0.42 H new ATOM 0 HB ILE A 94 6.381 -6.980 -5.781 1.00 24.11 H new ATOM 0 HG12 ILE A 94 7.997 -8.297 -7.171 1.00 53.44 H new ATOM 0 HG13 ILE A 94 6.856 -9.263 -6.256 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.399 -8.395 -6.091 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.077 -6.693 -6.497 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.308 -7.888 -7.795 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.076 -10.120 -8.567 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.426 -9.516 -8.282 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.585 -8.535 -9.211 1.00 10.40 H new ATOM 1595 N TYR A 95 5.873 -4.166 -6.579 1.00 51.15 N ATOM 1596 CA TYR A 95 5.114 -2.956 -6.315 1.00 20.24 C ATOM 1597 C TYR A 95 5.401 -1.886 -7.369 1.00 42.21 C ATOM 1598 O TYR A 95 4.767 -0.832 -7.381 1.00 45.41 O ATOM 1599 CB TYR A 95 5.586 -2.451 -4.950 1.00 42.53 C ATOM 1600 CG TYR A 95 5.044 -1.070 -4.575 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.554 0.060 -5.180 1.00 42.40 C ATOM 1602 CD2 TYR A 95 4.043 -0.955 -3.631 1.00 32.12 C ATOM 1603 CE1 TYR A 95 5.043 1.359 -4.828 1.00 23.54 C ATOM 1604 CE2 TYR A 95 3.533 0.343 -3.279 1.00 52.14 C ATOM 1605 CZ TYR A 95 4.058 1.437 -3.894 1.00 24.44 C ATOM 1606 OH TYR A 95 3.575 2.664 -3.561 1.00 51.50 O ATOM 0 H TYR A 95 6.623 -4.353 -5.914 1.00 51.15 H new ATOM 0 HA TYR A 95 4.044 -3.163 -6.337 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.286 -3.168 -4.185 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.675 -2.416 -4.944 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.337 -0.030 -5.918 1.00 42.40 H new ATOM 0 HD2 TYR A 95 3.643 -1.839 -3.157 1.00 32.12 H new ATOM 0 HE1 TYR A 95 5.433 2.251 -5.295 1.00 23.54 H new ATOM 0 HE2 TYR A 95 2.750 0.447 -2.542 1.00 52.14 H new ATOM 0 HH TYR A 95 2.819 2.887 -4.143 1.00 51.50 H new ATOM 1616 N GLN A 96 6.361 -2.193 -8.231 1.00 41.34 N ATOM 1617 CA GLN A 96 6.741 -1.270 -9.286 1.00 40.14 C ATOM 1618 C GLN A 96 6.113 -1.696 -10.616 1.00 73.33 C ATOM 1619 O GLN A 96 6.161 -0.953 -11.595 1.00 35.05 O ATOM 1620 CB GLN A 96 8.264 -1.170 -9.406 1.00 62.44 C ATOM 1621 CG GLN A 96 8.677 -0.754 -10.820 1.00 73.05 C ATOM 1622 CD GLN A 96 8.150 0.643 -11.156 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.157 1.106 -10.618 1.00 22.34 O ATOM 1624 NE2 GLN A 96 8.868 1.285 -12.073 1.00 34.13 N ATOM 0 H GLN A 96 6.886 -3.068 -8.219 1.00 41.34 H new ATOM 0 HA GLN A 96 6.364 -0.280 -9.029 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.642 -0.445 -8.685 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.716 -2.131 -9.159 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.764 -0.767 -10.904 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.293 -1.475 -11.542 1.00 73.05 H new ATOM 0 HE21 GLN A 96 9.688 0.838 -12.483 1.00 34.13 H new ATOM 0 HE22 GLN A 96 8.598 2.224 -12.366 1.00 34.13 H new ATOM 1633 N GLU A 97 5.539 -2.890 -10.607 1.00 32.44 N ATOM 1634 CA GLU A 97 4.905 -3.424 -11.799 1.00 2.21 C ATOM 1635 C GLU A 97 3.407 -3.623 -11.558 1.00 41.50 C ATOM 1636 O GLU A 97 2.650 -3.867 -12.497 1.00 31.31 O ATOM 1637 CB GLU A 97 5.568 -4.732 -12.236 1.00 65.22 C ATOM 1638 CG GLU A 97 4.916 -5.934 -11.547 1.00 55.53 C ATOM 1639 CD GLU A 97 5.630 -7.233 -11.921 1.00 44.43 C ATOM 1640 OE1 GLU A 97 5.112 -8.327 -11.648 1.00 63.43 O ATOM 1641 OE2 GLU A 97 6.763 -7.081 -12.519 1.00 70.13 O ATOM 0 H GLU A 97 5.500 -3.503 -9.792 1.00 32.44 H new ATOM 0 HA GLU A 97 5.032 -2.704 -12.607 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.488 -4.841 -13.318 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.631 -4.703 -11.996 1.00 65.22 H new ATOM 0 HG2 GLU A 97 4.944 -5.798 -10.466 1.00 55.53 H new ATOM 0 HG3 GLU A 97 3.866 -5.996 -11.833 1.00 55.53 H new ATOM 1649 N HIS A 98 3.023 -3.513 -10.295 1.00 3.52 N ATOM 1650 CA HIS A 98 1.630 -3.676 -9.919 1.00 21.22 C ATOM 1651 C HIS A 98 1.163 -2.451 -9.128 1.00 61.24 C ATOM 1652 O HIS A 98 0.137 -2.498 -8.452 1.00 1.42 O ATOM 1653 CB HIS A 98 1.422 -4.986 -9.158 1.00 32.21 C ATOM 1654 CG HIS A 98 1.739 -6.222 -9.965 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.390 -6.358 -11.297 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.378 -7.377 -9.615 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.803 -7.544 -11.719 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.415 -8.174 -10.677 1.00 24.24 N ATOM 0 H HIS A 98 3.653 -3.313 -9.519 1.00 3.52 H new ATOM 0 HA HIS A 98 1.014 -3.742 -10.816 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.046 -4.978 -8.264 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.386 -5.039 -8.823 1.00 32.21 H new ATOM 0 HD2 HIS A 98 2.784 -7.604 -8.640 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.677 -7.942 -12.715 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.833 -9.104 -10.708 1.00 24.24 H new ATOM 1667 N LYS A 99 1.940 -1.384 -9.241 1.00 12.51 N ATOM 1668 CA LYS A 99 1.622 -0.150 -8.544 1.00 13.43 C ATOM 1669 C LYS A 99 0.205 0.291 -8.922 1.00 32.40 C ATOM 1670 O LYS A 99 -0.305 -0.082 -9.976 1.00 3.15 O ATOM 1671 CB LYS A 99 2.688 0.912 -8.818 1.00 4.34 C ATOM 1672 CG LYS A 99 2.772 1.233 -10.311 1.00 4.14 C ATOM 1673 CD LYS A 99 2.333 2.672 -10.589 1.00 12.25 C ATOM 1674 CE LYS A 99 2.202 2.925 -12.092 1.00 60.42 C ATOM 1675 NZ LYS A 99 1.022 3.773 -12.374 1.00 53.51 N ATOM 0 H LYS A 99 2.789 -1.349 -9.805 1.00 12.51 H new ATOM 0 HA LYS A 99 1.633 -0.308 -7.466 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.455 1.819 -8.260 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.657 0.560 -8.463 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.794 1.087 -10.661 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.142 0.542 -10.871 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.379 2.866 -10.100 1.00 12.25 H new ATOM 0 HD3 LYS A 99 3.057 3.366 -10.162 1.00 12.25 H new ATOM 0 HE2 LYS A 99 3.104 3.411 -12.465 1.00 60.42 H new ATOM 0 HE3 LYS A 99 2.110 1.976 -12.620 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.948 3.935 -13.399 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 0.162 3.295 -12.036 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 1.126 4.685 -11.886 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.390 1.081 -8.038 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.737 1.576 -8.266 1.00 31.41 C ATOM 1691 C ASP A 100 -1.736 3.103 -8.174 1.00 24.34 C ATOM 1692 O ASP A 100 -0.742 3.704 -7.766 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.706 1.041 -7.211 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.143 0.836 -7.696 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -5.044 1.623 -7.373 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.322 -0.198 -8.447 1.00 2.43 O ATOM 0 H ASP A 100 0.036 1.390 -7.164 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.057 1.241 -9.253 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.325 0.090 -6.839 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -2.718 1.731 -6.368 1.00 64.51 H new ATOM 1702 N LYS A 101 -2.859 3.688 -8.563 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.001 5.134 -8.529 1.00 45.13 C ATOM 1704 C LYS A 101 -2.821 5.627 -7.093 1.00 14.41 C ATOM 1705 O LYS A 101 -2.410 6.766 -6.870 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.327 5.557 -9.164 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.409 5.099 -10.621 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.584 5.764 -11.341 1.00 13.14 C ATOM 1709 CE LYS A 101 -6.920 5.263 -10.787 1.00 51.00 C ATOM 1710 NZ LYS A 101 -7.988 6.257 -11.035 1.00 33.55 N ATOM 0 H LYS A 101 -3.680 3.187 -8.904 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.223 5.607 -9.127 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.157 5.132 -8.599 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.429 6.641 -9.114 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -3.479 5.342 -11.135 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -4.521 4.015 -10.659 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.521 6.846 -11.225 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -5.527 5.554 -12.409 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -7.182 4.314 -11.255 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -6.830 5.076 -9.717 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -8.888 5.902 -10.653 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -7.743 7.153 -10.568 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -8.084 6.415 -12.058 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.136 4.747 -6.154 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.015 5.078 -4.745 1.00 44.11 C ATOM 1726 C ASP A 102 -1.585 4.793 -4.281 1.00 52.35 C ATOM 1727 O ASP A 102 -1.169 5.261 -3.221 1.00 42.15 O ATOM 1728 CB ASP A 102 -3.965 4.231 -3.896 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.090 2.770 -4.329 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.127 2.348 -4.865 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.054 2.040 -4.093 1.00 40.41 O ATOM 0 H ASP A 102 -3.475 3.804 -6.342 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.266 6.132 -4.623 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.626 4.260 -2.860 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -4.955 4.687 -3.920 1.00 5.45 H new ATOM 1737 N GLY A 103 -0.873 4.028 -5.094 1.00 12.34 N ATOM 1738 CA GLY A 103 0.501 3.675 -4.780 1.00 1.51 C ATOM 1739 C GLY A 103 0.562 2.372 -3.982 1.00 42.14 C ATOM 1740 O GLY A 103 1.478 1.570 -4.166 1.00 30.21 O ATOM 0 H GLY A 103 -1.222 3.642 -5.971 1.00 12.34 H new ATOM 0 HA2 GLY A 103 1.073 3.568 -5.702 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.965 4.478 -4.208 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.421 2.199 -3.112 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.489 1.006 -2.286 1.00 12.24 C ATOM 1746 C PHE A 104 -0.690 -0.245 -3.145 1.00 72.13 C ATOM 1747 O PHE A 104 -1.557 -0.271 -4.017 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.695 1.172 -1.359 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.385 1.929 -0.065 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -0.840 1.271 0.993 1.00 30.24 C ATOM 1751 CD2 PHE A 104 -1.654 3.258 0.027 1.00 73.23 C ATOM 1752 CE1 PHE A 104 -0.553 1.973 2.194 1.00 70.41 C ATOM 1753 CE2 PHE A 104 -1.367 3.959 1.228 1.00 34.41 C ATOM 1754 CZ PHE A 104 -0.823 3.302 2.286 1.00 62.30 C ATOM 0 H PHE A 104 -1.178 2.866 -2.961 1.00 53.45 H new ATOM 0 HA PHE A 104 0.440 0.886 -1.728 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.484 1.699 -1.896 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.085 0.186 -1.107 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.625 0.215 0.920 1.00 30.24 H new ATOM 0 HD2 PHE A 104 -2.086 3.781 -0.813 1.00 73.23 H new ATOM 0 HE1 PHE A 104 -0.120 1.451 3.034 1.00 70.41 H new ATOM 0 HE2 PHE A 104 -1.581 5.015 1.301 1.00 34.41 H new ATOM 0 HZ PHE A 104 -0.605 3.836 3.199 1.00 62.30 H new ATOM 1764 N LEU A 105 0.127 -1.250 -2.866 1.00 64.23 N ATOM 1765 CA LEU A 105 0.049 -2.501 -3.602 1.00 0.04 C ATOM 1766 C LEU A 105 -1.168 -3.295 -3.127 1.00 11.52 C ATOM 1767 O LEU A 105 -1.550 -3.213 -1.959 1.00 74.42 O ATOM 1768 CB LEU A 105 1.367 -3.271 -3.491 1.00 42.33 C ATOM 1769 CG LEU A 105 2.249 -3.277 -4.740 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.957 -4.501 -5.612 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.104 -1.970 -5.521 1.00 71.12 C ATOM 0 H LEU A 105 0.845 -1.224 -2.142 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.093 -2.308 -4.665 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.942 -2.850 -2.667 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.140 -4.304 -3.226 1.00 42.33 H new ATOM 0 HG LEU A 105 3.289 -3.348 -4.422 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.598 -4.481 -6.494 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.153 -5.409 -5.042 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.912 -4.486 -5.922 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.742 -2.001 -6.404 1.00 71.12 H new ATOM 0 HD22 LEU A 105 1.066 -1.843 -5.828 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.401 -1.133 -4.888 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.747 -4.044 -4.053 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.914 -4.852 -3.742 1.00 42.31 C ATOM 1785 C TYR A 106 -2.654 -6.330 -4.040 1.00 52.24 C ATOM 1786 O TYR A 106 -2.814 -6.776 -5.176 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.032 -4.347 -4.659 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.565 -2.963 -4.286 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.266 -2.788 -3.110 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.346 -1.891 -5.125 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -5.768 -1.484 -2.759 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -4.847 -0.587 -4.775 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.533 -0.448 -3.608 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.009 0.782 -3.277 1.00 44.34 O ATOM 0 H TYR A 106 -1.430 -4.109 -5.020 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.169 -4.768 -2.686 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.662 -4.318 -5.684 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.856 -5.060 -4.637 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.438 -3.628 -2.453 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.798 -2.029 -6.045 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.319 -1.333 -1.842 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.682 0.261 -5.424 1.00 41.03 H new ATOM 0 HH TYR A 106 -6.000 1.360 -4.068 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.257 -7.048 -3.001 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.974 -8.467 -3.136 1.00 40.22 C ATOM 1806 C VAL A 107 -3.113 -9.273 -2.511 1.00 71.32 C ATOM 1807 O VAL A 107 -3.933 -8.727 -1.775 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.608 -8.789 -2.525 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.483 -8.195 -1.121 1.00 53.13 C ATOM 1810 CG2 VAL A 107 -0.358 -10.298 -2.508 1.00 51.41 C ATOM 0 H VAL A 107 -2.124 -6.674 -2.061 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.919 -8.746 -4.188 1.00 40.22 H new ATOM 0 HB VAL A 107 0.157 -8.331 -3.151 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.496 -8.438 -0.709 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.596 -7.112 -1.173 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -1.260 -8.611 -0.479 1.00 53.13 H new ATOM 0 HG21 VAL A 107 0.619 -10.500 -2.069 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -1.130 -10.788 -1.915 1.00 51.41 H new ATOM 0 HG23 VAL A 107 -0.384 -10.683 -3.528 1.00 51.41 H new ATOM 1820 N THR A 108 -3.128 -10.560 -2.827 1.00 21.14 N ATOM 1821 CA THR A 108 -4.154 -11.447 -2.304 1.00 55.41 C ATOM 1822 C THR A 108 -3.643 -12.888 -2.265 1.00 62.50 C ATOM 1823 O THR A 108 -3.317 -13.465 -3.301 1.00 11.44 O ATOM 1824 CB THR A 108 -5.410 -11.271 -3.161 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.342 -9.919 -3.606 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.696 -11.327 -2.332 1.00 22.42 C ATOM 0 H THR A 108 -2.446 -11.010 -3.438 1.00 21.14 H new ATOM 0 HA THR A 108 -4.407 -11.197 -1.274 1.00 55.41 H new ATOM 0 HB THR A 108 -5.438 -12.045 -3.928 1.00 74.21 H new ATOM 0 HG1 THR A 108 -6.119 -9.721 -4.170 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.557 -11.197 -2.987 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.764 -12.292 -1.831 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.684 -10.531 -1.587 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.589 -13.429 -1.057 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.122 -14.793 -0.868 1.00 32.00 C ATOM 1836 C TYR A 109 -4.299 -15.765 -0.760 1.00 31.13 C ATOM 1837 O TYR A 109 -5.291 -15.472 -0.094 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.351 -14.796 0.454 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.243 -14.710 1.694 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.643 -13.478 2.173 1.00 21.34 C ATOM 1841 CD2 TYR A 109 -3.647 -15.864 2.335 1.00 61.31 C ATOM 1842 CE1 TYR A 109 -4.482 -13.398 3.340 1.00 12.40 C ATOM 1843 CE2 TYR A 109 -4.486 -15.782 3.502 1.00 51.34 C ATOM 1844 CZ TYR A 109 -4.862 -14.554 3.946 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.655 -14.479 5.050 1.00 35.34 O ATOM 0 H TYR A 109 -3.861 -12.948 -0.199 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.507 -15.108 -1.711 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.752 -15.705 0.512 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.656 -13.956 0.460 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.326 -12.575 1.672 1.00 21.34 H new ATOM 0 HD2 TYR A 109 -3.334 -16.828 1.961 1.00 61.31 H new ATOM 0 HE1 TYR A 109 -4.802 -12.441 3.725 1.00 12.40 H new ATOM 0 HE2 TYR A 109 -4.809 -16.677 4.013 1.00 51.34 H new ATOM 0 HH TYR A 109 -5.874 -15.383 5.357 1.00 35.34 H new ATOM 1855 N SER A 110 -4.150 -16.900 -1.425 1.00 65.21 N ATOM 1856 CA SER A 110 -5.188 -17.917 -1.413 1.00 13.24 C ATOM 1857 C SER A 110 -4.574 -19.288 -1.123 1.00 41.23 C ATOM 1858 O SER A 110 -3.379 -19.494 -1.329 1.00 40.25 O ATOM 1859 CB SER A 110 -5.946 -17.947 -2.741 1.00 42.53 C ATOM 1860 OG SER A 110 -5.445 -18.949 -3.621 1.00 73.50 O ATOM 0 H SER A 110 -3.326 -17.139 -1.976 1.00 65.21 H new ATOM 0 HA SER A 110 -5.899 -17.669 -0.625 1.00 13.24 H new ATOM 0 HB2 SER A 110 -7.004 -18.128 -2.550 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.872 -16.972 -3.223 1.00 42.53 H new ATOM 0 HG SER A 110 -4.478 -18.835 -3.729 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.420 -20.191 -0.647 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.975 -21.537 -0.326 1.00 10.15 C ATOM 1868 C GLY A 111 -4.920 -22.410 -1.581 1.00 11.13 C ATOM 1869 O GLY A 111 -4.580 -23.590 -1.505 1.00 34.05 O ATOM 0 H GLY A 111 -6.410 -20.017 -0.476 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.989 -21.497 0.137 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.652 -21.984 0.403 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.258 -21.797 -2.706 1.00 51.04 N ATOM 1874 CA GLU A 112 -5.250 -22.503 -3.976 1.00 65.25 C ATOM 1875 C GLU A 112 -4.333 -21.795 -4.973 1.00 62.14 C ATOM 1876 O GLU A 112 -4.035 -20.612 -4.816 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.668 -22.639 -4.535 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.186 -21.292 -5.047 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.715 -21.253 -5.036 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -9.362 -22.307 -4.931 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.232 -20.076 -5.141 1.00 41.42 O ATOM 0 H GLU A 112 -5.539 -20.818 -2.764 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.862 -23.508 -3.808 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.675 -23.368 -5.346 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.334 -23.018 -3.760 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.794 -20.487 -4.425 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -6.821 -21.119 -6.060 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.908 -22.547 -5.976 1.00 71.13 N ATOM 1890 CA ASN A 113 -3.029 -22.006 -6.998 1.00 34.31 C ATOM 1891 C ASN A 113 -3.840 -21.720 -8.264 1.00 20.23 C ATOM 1892 O ASN A 113 -3.311 -21.188 -9.238 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.925 -23.001 -7.360 1.00 45.03 C ATOM 1894 CG ASN A 113 -1.201 -22.578 -8.639 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -1.641 -22.834 -9.747 1.00 30.35 O ATOM 1896 ND2 ASN A 113 -0.068 -21.916 -8.424 1.00 31.33 N ATOM 0 H ASN A 113 -4.156 -23.528 -6.103 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.578 -21.095 -6.605 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -1.210 -23.070 -6.540 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -2.355 -23.994 -7.493 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.489 -21.589 -9.213 1.00 31.33 H new ATOM 0 HD22 ASN A 113 0.244 -21.735 -7.470 1.00 31.33 H new ATOM 1903 N THR A 114 -5.113 -22.086 -8.207 1.00 2.32 N ATOM 1904 CA THR A 114 -6.003 -21.875 -9.336 1.00 50.23 C ATOM 1905 C THR A 114 -6.324 -20.388 -9.492 1.00 72.55 C ATOM 1906 O THR A 114 -6.313 -19.641 -8.514 1.00 12.33 O ATOM 1907 CB THR A 114 -7.245 -22.745 -9.128 1.00 73.22 C ATOM 1908 OG1 THR A 114 -7.349 -22.868 -7.712 1.00 70.52 O ATOM 1909 CG2 THR A 114 -7.040 -24.182 -9.613 1.00 53.33 C ATOM 0 H THR A 114 -5.549 -22.527 -7.397 1.00 2.32 H new ATOM 0 HA THR A 114 -5.531 -22.174 -10.272 1.00 50.23 H new ATOM 0 HB THR A 114 -8.091 -22.302 -9.653 1.00 73.22 H new ATOM 0 HG1 THR A 114 -8.130 -23.416 -7.488 1.00 70.52 H new ATOM 0 HG21 THR A 114 -7.950 -24.757 -9.443 1.00 53.33 H new ATOM 0 HG22 THR A 114 -6.808 -24.177 -10.678 1.00 53.33 H new ATOM 0 HG23 THR A 114 -6.215 -24.637 -9.064 1.00 53.33 H new ATOM 1917 N PHE A 115 -6.599 -20.000 -10.728 1.00 31.21 N ATOM 1918 CA PHE A 115 -6.922 -18.615 -11.025 1.00 74.33 C ATOM 1919 C PHE A 115 -7.987 -18.522 -12.120 1.00 52.11 C ATOM 1920 O PHE A 115 -7.691 -18.127 -13.246 1.00 2.34 O ATOM 1921 CB PHE A 115 -5.635 -17.954 -11.524 1.00 71.32 C ATOM 1922 CG PHE A 115 -4.687 -18.908 -12.253 1.00 35.32 C ATOM 1923 CD1 PHE A 115 -4.833 -19.126 -13.587 1.00 42.14 C ATOM 1924 CD2 PHE A 115 -3.697 -19.540 -11.566 1.00 71.13 C ATOM 1925 CE1 PHE A 115 -3.952 -20.012 -14.264 1.00 70.23 C ATOM 1926 CE2 PHE A 115 -2.817 -20.425 -12.241 1.00 73.42 C ATOM 1927 CZ PHE A 115 -2.963 -20.643 -13.576 1.00 24.02 C ATOM 0 H PHE A 115 -6.605 -20.622 -11.537 1.00 31.21 H new ATOM 0 HA PHE A 115 -7.313 -18.125 -10.134 1.00 74.33 H new ATOM 0 HB2 PHE A 115 -5.896 -17.135 -12.194 1.00 71.32 H new ATOM 0 HB3 PHE A 115 -5.111 -17.516 -10.675 1.00 71.32 H new ATOM 0 HD1 PHE A 115 -5.619 -18.625 -14.133 1.00 42.14 H new ATOM 0 HD2 PHE A 115 -3.581 -19.368 -10.506 1.00 71.13 H new ATOM 0 HE1 PHE A 115 -4.068 -20.184 -15.324 1.00 70.23 H new ATOM 0 HE2 PHE A 115 -2.031 -20.926 -11.695 1.00 73.42 H new ATOM 0 HZ PHE A 115 -2.293 -21.317 -14.089 1.00 24.02 H new ATOM 1937 N GLY A 116 -9.203 -18.895 -11.750 1.00 41.22 N ATOM 1938 CA GLY A 116 -10.314 -18.857 -12.686 1.00 63.52 C ATOM 1939 C GLY A 116 -11.653 -18.939 -11.950 1.00 53.54 C ATOM 1940 O GLY A 116 -12.705 -19.055 -12.579 1.00 21.00 O ATOM 0 H GLY A 116 -9.444 -19.225 -10.815 1.00 41.22 H new ATOM 0 HA2 GLY A 116 -10.271 -17.937 -13.270 1.00 63.52 H new ATOM 0 HA3 GLY A 116 -10.230 -19.685 -13.390 1.00 63.52 H new TER 1944 GLY A 116 ATOM 1945 N GLY B 597 -29.563 -3.230 -3.713 1.00 75.34 N ATOM 1946 CA GLY B 597 -28.188 -2.934 -4.081 1.00 34.21 C ATOM 1947 C GLY B 597 -27.934 -1.425 -4.078 1.00 23.30 C ATOM 1948 O GLY B 597 -28.873 -0.632 -4.066 1.00 40.31 O ATOM 0 HA2 GLY B 597 -27.508 -3.423 -3.384 1.00 34.21 H new ATOM 0 HA3 GLY B 597 -27.977 -3.340 -5.070 1.00 34.21 H new ATOM 1952 N PRO B 598 -26.622 -1.064 -4.087 1.00 62.55 N ATOM 1953 CA PRO B 598 -26.230 0.335 -4.084 1.00 62.45 C ATOM 1954 C PRO B 598 -26.450 0.968 -5.459 1.00 14.31 C ATOM 1955 O PRO B 598 -25.898 0.505 -6.456 1.00 53.31 O ATOM 1956 CB PRO B 598 -24.772 0.335 -3.657 1.00 22.45 C ATOM 1957 CG PRO B 598 -24.270 -1.082 -3.885 1.00 50.22 C ATOM 1958 CD PRO B 598 -25.481 -1.975 -4.099 1.00 31.51 C ATOM 0 HA PRO B 598 -26.830 0.938 -3.403 1.00 62.45 H new ATOM 0 HB2 PRO B 598 -24.194 1.052 -4.240 1.00 22.45 H new ATOM 0 HB3 PRO B 598 -24.672 0.621 -2.610 1.00 22.45 H new ATOM 0 HG2 PRO B 598 -23.610 -1.119 -4.752 1.00 50.22 H new ATOM 0 HG3 PRO B 598 -23.690 -1.424 -3.028 1.00 50.22 H new ATOM 0 HD2 PRO B 598 -25.414 -2.513 -5.045 1.00 31.51 H new ATOM 0 HD3 PRO B 598 -25.564 -2.724 -3.312 1.00 31.51 H new ATOM 1966 N HIS B 599 -27.258 2.018 -5.470 1.00 20.43 N ATOM 1967 CA HIS B 599 -27.558 2.720 -6.707 1.00 24.33 C ATOM 1968 C HIS B 599 -26.676 3.965 -6.816 1.00 13.23 C ATOM 1969 O HIS B 599 -26.488 4.686 -5.838 1.00 43.53 O ATOM 1970 CB HIS B 599 -29.051 3.041 -6.802 1.00 5.22 C ATOM 1971 CG HIS B 599 -29.502 3.461 -8.181 1.00 61.33 C ATOM 1972 ND1 HIS B 599 -29.254 4.720 -8.699 1.00 2.12 N ATOM 1973 CD2 HIS B 599 -30.186 2.776 -9.142 1.00 14.25 C ATOM 1974 CE1 HIS B 599 -29.771 4.779 -9.917 1.00 22.11 C ATOM 1975 NE2 HIS B 599 -30.349 3.574 -10.189 1.00 14.21 N ATOM 0 H HIS B 599 -27.715 2.400 -4.642 1.00 20.43 H new ATOM 0 HA HIS B 599 -27.329 2.079 -7.558 1.00 24.33 H new ATOM 0 HB2 HIS B 599 -29.621 2.164 -6.496 1.00 5.22 H new ATOM 0 HB3 HIS B 599 -29.287 3.837 -6.096 1.00 5.22 H new ATOM 0 HD1 HIS B 599 -28.758 5.474 -8.224 1.00 2.12 H new ATOM 0 HD2 HIS B 599 -30.535 1.757 -9.064 1.00 14.25 H new ATOM 0 HE1 HIS B 599 -29.740 5.632 -10.579 1.00 22.11 H new ATOM 1984 N MET B 600 -26.157 4.180 -8.017 1.00 35.21 N ATOM 1985 CA MET B 600 -25.298 5.325 -8.268 1.00 63.23 C ATOM 1986 C MET B 600 -26.054 6.420 -9.025 1.00 12.44 C ATOM 1987 O MET B 600 -27.122 6.171 -9.581 1.00 13.20 O ATOM 1988 CB MET B 600 -24.083 4.883 -9.087 1.00 40.24 C ATOM 1989 CG MET B 600 -23.092 4.107 -8.218 1.00 42.43 C ATOM 1990 SD MET B 600 -23.488 2.366 -8.246 1.00 51.21 S ATOM 1991 CE MET B 600 -21.990 1.718 -8.967 1.00 71.31 C ATOM 0 H MET B 600 -26.315 3.580 -8.827 1.00 35.21 H new ATOM 0 HA MET B 600 -24.972 5.729 -7.310 1.00 63.23 H new ATOM 0 HB2 MET B 600 -24.408 4.260 -9.920 1.00 40.24 H new ATOM 0 HB3 MET B 600 -23.591 5.756 -9.515 1.00 40.24 H new ATOM 0 HG2 MET B 600 -22.077 4.263 -8.582 1.00 42.43 H new ATOM 0 HG3 MET B 600 -23.124 4.479 -7.194 1.00 42.43 H new ATOM 0 HE1 MET B 600 -22.069 0.635 -9.057 1.00 71.31 H new ATOM 0 HE2 MET B 600 -21.843 2.154 -9.955 1.00 71.31 H new ATOM 0 HE3 MET B 600 -21.142 1.969 -8.330 1.00 71.31 H new ATOM 2001 N ILE B 601 -25.468 7.608 -9.020 1.00 63.02 N ATOM 2002 CA ILE B 601 -26.071 8.743 -9.699 1.00 4.30 C ATOM 2003 C ILE B 601 -25.235 9.099 -10.928 1.00 60.31 C ATOM 2004 O ILE B 601 -25.697 9.822 -11.811 1.00 72.44 O ATOM 2005 CB ILE B 601 -26.266 9.908 -8.727 1.00 25.01 C ATOM 2006 CG1 ILE B 601 -27.428 9.637 -7.771 1.00 55.25 C ATOM 2007 CG2 ILE B 601 -26.440 11.228 -9.481 1.00 53.51 C ATOM 2008 CD1 ILE B 601 -28.741 9.468 -8.539 1.00 12.21 C ATOM 0 H ILE B 601 -24.582 7.810 -8.557 1.00 63.02 H new ATOM 0 HA ILE B 601 -27.069 8.487 -10.056 1.00 4.30 H new ATOM 0 HB ILE B 601 -25.365 10.000 -8.120 1.00 25.01 H new ATOM 0 HG12 ILE B 601 -27.224 8.738 -7.190 1.00 55.25 H new ATOM 0 HG13 ILE B 601 -27.520 10.460 -7.062 1.00 55.25 H new ATOM 0 HG21 ILE B 601 -26.577 12.040 -8.767 1.00 53.51 H new ATOM 0 HG22 ILE B 601 -25.553 11.422 -10.085 1.00 53.51 H new ATOM 0 HG23 ILE B 601 -27.314 11.164 -10.129 1.00 53.51 H new ATOM 0 HD11 ILE B 601 -29.552 9.276 -7.836 1.00 12.21 H new ATOM 0 HD12 ILE B 601 -28.954 10.378 -9.099 1.00 12.21 H new ATOM 0 HD13 ILE B 601 -28.653 8.629 -9.229 1.00 12.21 H new ATOM 2020 N SER B 602 -24.017 8.579 -10.948 1.00 24.53 N ATOM 2021 CA SER B 602 -23.111 8.832 -12.055 1.00 44.02 C ATOM 2022 C SER B 602 -23.021 10.337 -12.322 1.00 51.34 C ATOM 2023 O SER B 602 -23.192 10.781 -13.456 1.00 54.12 O ATOM 2024 CB SER B 602 -23.563 8.096 -13.318 1.00 55.44 C ATOM 2025 OG SER B 602 -23.962 6.757 -13.041 1.00 51.42 O ATOM 0 H SER B 602 -23.636 7.982 -10.214 1.00 24.53 H new ATOM 0 HA SER B 602 -22.125 8.456 -11.782 1.00 44.02 H new ATOM 0 HB2 SER B 602 -24.394 8.635 -13.774 1.00 55.44 H new ATOM 0 HB3 SER B 602 -22.750 8.089 -14.044 1.00 55.44 H new ATOM 0 HG SER B 602 -24.245 6.321 -13.872 1.00 51.42 H new ATOM 2031 N GLY B 603 -22.752 11.079 -11.258 1.00 22.21 N ATOM 2032 CA GLY B 603 -22.637 12.523 -11.362 1.00 23.01 C ATOM 2033 C GLY B 603 -21.312 13.013 -10.776 1.00 13.24 C ATOM 2034 O GLY B 603 -20.285 12.350 -10.916 1.00 71.31 O ATOM 0 H GLY B 603 -22.610 10.707 -10.319 1.00 22.21 H new ATOM 0 HA2 GLY B 603 -22.709 12.822 -12.408 1.00 23.01 H new ATOM 0 HA3 GLY B 603 -23.467 12.996 -10.837 1.00 23.01 H new ATOM 2038 N LEU B 604 -21.376 14.167 -10.130 1.00 23.11 N ATOM 2039 CA LEU B 604 -20.194 14.754 -9.522 1.00 33.20 C ATOM 2040 C LEU B 604 -20.512 15.149 -8.077 1.00 61.43 C ATOM 2041 O LEU B 604 -21.606 15.628 -7.789 1.00 44.14 O ATOM 2042 CB LEU B 604 -19.668 15.908 -10.374 1.00 63.33 C ATOM 2043 CG LEU B 604 -20.291 17.280 -10.103 1.00 32.33 C ATOM 2044 CD1 LEU B 604 -19.344 18.406 -10.524 1.00 3.42 C ATOM 2045 CD2 LEU B 604 -21.661 17.402 -10.776 1.00 62.25 C ATOM 0 H LEU B 604 -22.230 14.713 -10.014 1.00 23.11 H new ATOM 0 HA LEU B 604 -19.384 14.025 -9.483 1.00 33.20 H new ATOM 0 HB2 LEU B 604 -18.591 15.984 -10.223 1.00 63.33 H new ATOM 0 HB3 LEU B 604 -19.826 15.660 -11.424 1.00 63.33 H new ATOM 0 HG LEU B 604 -20.449 17.377 -9.029 1.00 32.33 H new ATOM 0 HD11 LEU B 604 -19.811 19.370 -10.321 1.00 3.42 H new ATOM 0 HD12 LEU B 604 -18.413 18.328 -9.962 1.00 3.42 H new ATOM 0 HD13 LEU B 604 -19.132 18.324 -11.590 1.00 3.42 H new ATOM 0 HD21 LEU B 604 -22.082 18.386 -10.568 1.00 62.25 H new ATOM 0 HD22 LEU B 604 -21.550 17.275 -11.853 1.00 62.25 H new ATOM 0 HD23 LEU B 604 -22.327 16.632 -10.387 1.00 62.25 H new ATOM 2057 N SER B 605 -19.533 14.934 -7.210 1.00 60.21 N ATOM 2058 CA SER B 605 -19.694 15.262 -5.804 1.00 72.42 C ATOM 2059 C SER B 605 -18.347 15.170 -5.087 1.00 55.33 C ATOM 2060 O SER B 605 -17.348 14.770 -5.684 1.00 51.11 O ATOM 2061 CB SER B 605 -20.714 14.338 -5.136 1.00 73.05 C ATOM 2062 OG SER B 605 -21.322 14.944 -4.000 1.00 72.33 O ATOM 0 H SER B 605 -18.626 14.537 -7.454 1.00 60.21 H new ATOM 0 HA SER B 605 -20.067 16.284 -5.733 1.00 72.42 H new ATOM 0 HB2 SER B 605 -21.485 14.067 -5.858 1.00 73.05 H new ATOM 0 HB3 SER B 605 -20.222 13.414 -4.833 1.00 73.05 H new ATOM 0 HG SER B 605 -21.968 14.322 -3.604 1.00 72.33 H new ATOM 2068 N VAL B 606 -18.360 15.547 -3.817 1.00 13.10 N ATOM 2069 CA VAL B 606 -17.150 15.511 -3.013 1.00 10.05 C ATOM 2070 C VAL B 606 -16.877 14.072 -2.571 1.00 33.11 C ATOM 2071 O VAL B 606 -17.707 13.188 -2.781 1.00 74.11 O ATOM 2072 CB VAL B 606 -17.276 16.483 -1.837 1.00 45.42 C ATOM 2073 CG1 VAL B 606 -17.723 17.866 -2.315 1.00 30.21 C ATOM 2074 CG2 VAL B 606 -18.229 15.936 -0.772 1.00 64.30 C ATOM 0 H VAL B 606 -19.189 15.879 -3.325 1.00 13.10 H new ATOM 0 HA VAL B 606 -16.292 15.838 -3.600 1.00 10.05 H new ATOM 0 HB VAL B 606 -16.291 16.588 -1.382 1.00 45.42 H new ATOM 0 HG11 VAL B 606 -17.805 18.537 -1.460 1.00 30.21 H new ATOM 0 HG12 VAL B 606 -16.991 18.262 -3.019 1.00 30.21 H new ATOM 0 HG13 VAL B 606 -18.692 17.785 -2.807 1.00 30.21 H new ATOM 0 HG21 VAL B 606 -18.300 16.646 0.052 1.00 64.30 H new ATOM 0 HG22 VAL B 606 -19.216 15.787 -1.209 1.00 64.30 H new ATOM 0 HG23 VAL B 606 -17.850 14.984 -0.399 1.00 64.30 H new ATOM 2084 N ILE B 607 -15.712 13.882 -1.970 1.00 53.13 N ATOM 2085 CA ILE B 607 -15.320 12.565 -1.498 1.00 52.11 C ATOM 2086 C ILE B 607 -16.102 12.230 -0.226 1.00 71.45 C ATOM 2087 O ILE B 607 -16.580 13.127 0.468 1.00 12.45 O ATOM 2088 CB ILE B 607 -13.802 12.488 -1.326 1.00 63.01 C ATOM 2089 CG1 ILE B 607 -13.086 13.311 -2.398 1.00 60.51 C ATOM 2090 CG2 ILE B 607 -13.326 11.034 -1.304 1.00 70.03 C ATOM 2091 CD1 ILE B 607 -13.740 13.112 -3.767 1.00 71.40 C ATOM 0 H ILE B 607 -15.027 14.618 -1.799 1.00 53.13 H new ATOM 0 HA ILE B 607 -15.573 11.804 -2.237 1.00 52.11 H new ATOM 0 HB ILE B 607 -13.545 12.925 -0.361 1.00 63.01 H new ATOM 0 HG12 ILE B 607 -13.111 14.367 -2.129 1.00 60.51 H new ATOM 0 HG13 ILE B 607 -12.037 13.019 -2.446 1.00 60.51 H new ATOM 0 HG21 ILE B 607 -12.243 11.007 -1.181 1.00 70.03 H new ATOM 0 HG22 ILE B 607 -13.799 10.509 -0.474 1.00 70.03 H new ATOM 0 HG23 ILE B 607 -13.596 10.548 -2.242 1.00 70.03 H new ATOM 0 HD11 ILE B 607 -13.213 13.708 -4.512 1.00 71.40 H new ATOM 0 HD12 ILE B 607 -13.692 12.059 -4.044 1.00 71.40 H new ATOM 0 HD13 ILE B 607 -14.782 13.428 -3.722 1.00 71.40 H new ATOM 2103 N LYS B 608 -16.208 10.936 0.042 1.00 54.41 N ATOM 2104 CA LYS B 608 -16.923 10.472 1.219 1.00 40.33 C ATOM 2105 C LYS B 608 -16.088 9.403 1.929 1.00 31.41 C ATOM 2106 O LYS B 608 -16.047 8.254 1.495 1.00 62.21 O ATOM 2107 CB LYS B 608 -18.328 10.004 0.841 1.00 33.02 C ATOM 2108 CG LYS B 608 -19.038 11.045 -0.026 1.00 2.52 C ATOM 2109 CD LYS B 608 -20.331 10.478 -0.617 1.00 35.40 C ATOM 2110 CE LYS B 608 -20.771 11.279 -1.843 1.00 71.52 C ATOM 2111 NZ LYS B 608 -22.030 10.731 -2.395 1.00 1.31 N ATOM 0 H LYS B 608 -15.811 10.195 -0.536 1.00 54.41 H new ATOM 0 HA LYS B 608 -17.064 11.289 1.927 1.00 40.33 H new ATOM 0 HB2 LYS B 608 -18.268 9.058 0.303 1.00 33.02 H new ATOM 0 HB3 LYS B 608 -18.909 9.820 1.745 1.00 33.02 H new ATOM 0 HG2 LYS B 608 -19.264 11.928 0.572 1.00 2.52 H new ATOM 0 HG3 LYS B 608 -18.376 11.366 -0.831 1.00 2.52 H new ATOM 0 HD2 LYS B 608 -20.181 9.435 -0.895 1.00 35.40 H new ATOM 0 HD3 LYS B 608 -21.119 10.498 0.136 1.00 35.40 H new ATOM 0 HE2 LYS B 608 -20.911 12.325 -1.570 1.00 71.52 H new ATOM 0 HE3 LYS B 608 -19.990 11.250 -2.603 1.00 71.52 H new ATOM 0 HZ1 LYS B 608 -22.315 11.286 -3.227 1.00 1.31 H new ATOM 0 HZ2 LYS B 608 -21.884 9.740 -2.674 1.00 1.31 H new ATOM 0 HZ3 LYS B 608 -22.777 10.781 -1.673 1.00 1.31 H new ATOM 2125 N GLN B 609 -15.444 9.823 3.008 1.00 50.12 N ATOM 2126 CA GLN B 609 -14.612 8.915 3.782 1.00 30.54 C ATOM 2127 C GLN B 609 -15.150 8.791 5.210 1.00 50.42 C ATOM 2128 O GLN B 609 -15.622 9.770 5.786 1.00 51.34 O ATOM 2129 CB GLN B 609 -13.153 9.375 3.784 1.00 75.51 C ATOM 2130 CG GLN B 609 -12.756 9.939 2.419 1.00 42.52 C ATOM 2131 CD GLN B 609 -13.052 11.439 2.337 1.00 52.42 C ATOM 2132 OE1 GLN B 609 -14.054 11.926 2.834 1.00 33.24 O ATOM 2133 NE2 GLN B 609 -12.129 12.139 1.685 1.00 24.14 N ATOM 0 H GLN B 609 -15.481 10.778 3.365 1.00 50.12 H new ATOM 0 HA GLN B 609 -14.647 7.931 3.314 1.00 30.54 H new ATOM 0 HB2 GLN B 609 -13.008 10.135 4.552 1.00 75.51 H new ATOM 0 HB3 GLN B 609 -12.504 8.537 4.038 1.00 75.51 H new ATOM 0 HG2 GLN B 609 -11.694 9.764 2.244 1.00 42.52 H new ATOM 0 HG3 GLN B 609 -13.299 9.414 1.633 1.00 42.52 H new ATOM 0 HE21 GLN B 609 -11.314 11.668 1.293 1.00 24.14 H new ATOM 0 HE22 GLN B 609 -12.236 13.148 1.576 1.00 24.14 H new ATOM 2142 N GLU B 610 -15.060 7.580 5.737 1.00 74.31 N ATOM 2143 CA GLU B 610 -15.532 7.315 7.088 1.00 25.44 C ATOM 2144 C GLU B 610 -14.381 6.812 7.961 1.00 44.11 C ATOM 2145 O GLU B 610 -13.249 6.693 7.496 1.00 14.02 O ATOM 2146 CB GLU B 610 -16.690 6.315 7.077 1.00 15.33 C ATOM 2147 CG GLU B 610 -16.300 5.032 6.340 1.00 10.24 C ATOM 2148 CD GLU B 610 -17.502 4.098 6.192 1.00 3.43 C ATOM 2149 OE1 GLU B 610 -17.612 3.107 6.931 1.00 40.45 O ATOM 2150 OE2 GLU B 610 -18.344 4.432 5.275 1.00 64.00 O ATOM 0 H GLU B 610 -14.668 6.771 5.255 1.00 74.31 H new ATOM 0 HA GLU B 610 -15.905 8.247 7.513 1.00 25.44 H new ATOM 0 HB2 GLU B 610 -16.979 6.077 8.101 1.00 15.33 H new ATOM 0 HB3 GLU B 610 -17.559 6.765 6.597 1.00 15.33 H new ATOM 0 HG2 GLU B 610 -15.904 5.280 5.355 1.00 10.24 H new ATOM 0 HG3 GLU B 610 -15.504 4.523 6.884 1.00 10.24 H new ATOM 2158 N VAL B 611 -14.711 6.531 9.214 1.00 40.31 N ATOM 2159 CA VAL B 611 -13.720 6.044 10.158 1.00 23.14 C ATOM 2160 C VAL B 611 -14.393 5.101 11.157 1.00 74.53 C ATOM 2161 O VAL B 611 -15.494 5.378 11.632 1.00 54.30 O ATOM 2162 CB VAL B 611 -13.014 7.223 10.830 1.00 50.03 C ATOM 2163 CG1 VAL B 611 -13.973 8.402 11.017 1.00 5.14 C ATOM 2164 CG2 VAL B 611 -12.396 6.803 12.165 1.00 41.14 C ATOM 0 H VAL B 611 -15.651 6.632 9.597 1.00 40.31 H new ATOM 0 HA VAL B 611 -12.949 5.473 9.641 1.00 23.14 H new ATOM 0 HB VAL B 611 -12.206 7.548 10.174 1.00 50.03 H new ATOM 0 HG11 VAL B 611 -13.446 9.227 11.497 1.00 5.14 H new ATOM 0 HG12 VAL B 611 -14.346 8.726 10.045 1.00 5.14 H new ATOM 0 HG13 VAL B 611 -14.811 8.094 11.642 1.00 5.14 H new ATOM 0 HG21 VAL B 611 -11.900 7.660 12.622 1.00 41.14 H new ATOM 0 HG22 VAL B 611 -13.179 6.440 12.830 1.00 41.14 H new ATOM 0 HG23 VAL B 611 -11.667 6.010 11.995 1.00 41.14 H new ATOM 2174 N GLU B 612 -13.705 4.007 11.446 1.00 53.42 N ATOM 2175 CA GLU B 612 -14.223 3.021 12.380 1.00 32.05 C ATOM 2176 C GLU B 612 -13.238 2.814 13.532 1.00 35.50 C ATOM 2177 O GLU B 612 -13.612 2.913 14.700 1.00 5.21 O ATOM 2178 CB GLU B 612 -14.525 1.699 11.671 1.00 3.50 C ATOM 2179 CG GLU B 612 -13.268 1.133 11.009 1.00 33.52 C ATOM 2180 CD GLU B 612 -13.623 0.030 10.010 1.00 72.22 C ATOM 2181 OE1 GLU B 612 -14.590 0.174 9.246 1.00 41.33 O ATOM 2182 OE2 GLU B 612 -12.854 -1.004 10.044 1.00 41.42 O ATOM 0 H GLU B 612 -12.793 3.781 11.050 1.00 53.42 H new ATOM 0 HA GLU B 612 -15.160 3.396 12.792 1.00 32.05 H new ATOM 0 HB2 GLU B 612 -14.918 0.979 12.389 1.00 3.50 H new ATOM 0 HB3 GLU B 612 -15.298 1.854 10.919 1.00 3.50 H new ATOM 0 HG2 GLU B 612 -12.731 1.932 10.498 1.00 33.52 H new ATOM 0 HG3 GLU B 612 -12.598 0.736 11.772 1.00 33.52 H new ATOM 2190 N ARG B 613 -11.997 2.529 13.164 1.00 12.02 N ATOM 2191 CA ARG B 613 -10.955 2.306 14.152 1.00 41.35 C ATOM 2192 C ARG B 613 -9.658 2.991 13.720 1.00 24.23 C ATOM 2193 O ARG B 613 -9.000 3.649 14.525 1.00 43.52 O ATOM 2194 CB ARG B 613 -10.694 0.812 14.351 1.00 13.42 C ATOM 2195 CG ARG B 613 -10.088 0.190 13.089 1.00 61.03 C ATOM 2196 CD ARG B 613 -10.037 -1.335 13.200 1.00 71.31 C ATOM 2197 NE ARG B 613 -10.121 -1.944 11.854 1.00 61.42 N ATOM 2198 CZ ARG B 613 -10.104 -3.273 11.622 1.00 10.13 C ATOM 2199 NH1 ARG B 613 -10.006 -4.147 12.647 1.00 12.10 N ATOM 2200 NH2 ARG B 613 -10.185 -3.707 10.378 1.00 25.13 N ATOM 0 H ARG B 613 -11.690 2.447 12.195 1.00 12.02 H new ATOM 0 HA ARG B 613 -11.297 2.731 15.095 1.00 41.35 H new ATOM 0 HB2 ARG B 613 -10.018 0.666 15.194 1.00 13.42 H new ATOM 0 HB3 ARG B 613 -11.627 0.306 14.599 1.00 13.42 H new ATOM 0 HG2 ARG B 613 -10.679 0.475 12.219 1.00 61.03 H new ATOM 0 HG3 ARG B 613 -9.082 0.581 12.933 1.00 61.03 H new ATOM 0 HD2 ARG B 613 -9.113 -1.641 13.690 1.00 71.31 H new ATOM 0 HD3 ARG B 613 -10.859 -1.690 13.821 1.00 71.31 H new ATOM 0 HE ARG B 613 -10.197 -1.320 11.051 1.00 61.42 H new ATOM 0 HH11 ARG B 613 -9.944 -3.804 13.606 1.00 12.10 H new ATOM 0 HH12 ARG B 613 -9.994 -5.150 12.463 1.00 12.10 H new ATOM 0 HH21 ARG B 613 -10.259 -3.041 9.609 1.00 25.13 H new ATOM 0 HH22 ARG B 613 -10.173 -4.709 10.186 1.00 25.13 H new ATOM 2214 N LEU B 614 -9.328 2.814 12.449 1.00 54.24 N ATOM 2215 CA LEU B 614 -8.120 3.407 11.900 1.00 61.12 C ATOM 2216 C LEU B 614 -8.276 4.928 11.863 1.00 40.40 C ATOM 2217 O LEU B 614 -8.377 5.572 12.906 1.00 75.01 O ATOM 2218 CB LEU B 614 -7.791 2.788 10.540 1.00 22.24 C ATOM 2219 CG LEU B 614 -7.257 1.355 10.566 1.00 4.31 C ATOM 2220 CD1 LEU B 614 -8.382 0.346 10.332 1.00 34.05 C ATOM 2221 CD2 LEU B 614 -6.111 1.178 9.566 1.00 23.23 C ATOM 0 H LEU B 614 -9.876 2.269 11.784 1.00 54.24 H new ATOM 0 HA LEU B 614 -7.264 3.190 12.538 1.00 61.12 H new ATOM 0 HB2 LEU B 614 -8.692 2.808 9.927 1.00 22.24 H new ATOM 0 HB3 LEU B 614 -7.054 3.420 10.044 1.00 22.24 H new ATOM 0 HG LEU B 614 -6.851 1.160 11.559 1.00 4.31 H new ATOM 0 HD11 LEU B 614 -7.975 -0.665 10.355 1.00 34.05 H new ATOM 0 HD12 LEU B 614 -9.134 0.452 11.113 1.00 34.05 H new ATOM 0 HD13 LEU B 614 -8.840 0.530 9.360 1.00 34.05 H new ATOM 0 HD21 LEU B 614 -5.750 0.150 9.605 1.00 23.23 H new ATOM 0 HD22 LEU B 614 -6.468 1.399 8.560 1.00 23.23 H new ATOM 0 HD23 LEU B 614 -5.298 1.858 9.820 1.00 23.23 H new ATOM 2233 N GLY B 615 -8.290 5.460 10.648 1.00 40.14 N ATOM 2234 CA GLY B 615 -8.433 6.894 10.461 1.00 55.23 C ATOM 2235 C GLY B 615 -7.575 7.381 9.292 1.00 22.31 C ATOM 2236 O GLY B 615 -7.585 6.781 8.218 1.00 54.11 O ATOM 0 H GLY B 615 -8.205 4.924 9.785 1.00 40.14 H new ATOM 0 HA2 GLY B 615 -9.479 7.138 10.276 1.00 55.23 H new ATOM 0 HA3 GLY B 615 -8.141 7.415 11.373 1.00 55.23 H new ATOM 2240 N ASN B 616 -6.855 8.465 9.539 1.00 44.14 N ATOM 2241 CA ASN B 616 -5.993 9.040 8.520 1.00 32.45 C ATOM 2242 C ASN B 616 -4.871 8.053 8.191 1.00 32.00 C ATOM 2243 O ASN B 616 -4.710 7.653 7.039 1.00 44.11 O ATOM 2244 CB ASN B 616 -5.351 10.339 9.011 1.00 34.14 C ATOM 2245 CG ASN B 616 -4.614 11.050 7.874 1.00 43.35 C ATOM 2246 OD1 ASN B 616 -5.084 12.024 7.309 1.00 73.32 O ATOM 2247 ND2 ASN B 616 -3.436 10.511 7.572 1.00 63.11 N ATOM 0 H ASN B 616 -6.851 8.961 10.430 1.00 44.14 H new ATOM 0 HA ASN B 616 -6.603 9.249 7.641 1.00 32.45 H new ATOM 0 HB2 ASN B 616 -6.119 10.997 9.419 1.00 34.14 H new ATOM 0 HB3 ASN B 616 -4.654 10.121 9.821 1.00 34.14 H new ATOM 0 HD21 ASN B 616 -2.867 10.913 6.827 1.00 63.11 H new ATOM 0 HD22 ASN B 616 -3.102 9.695 8.085 1.00 63.11 H new ATOM 2254 N ASP B 617 -4.124 7.691 9.222 1.00 35.43 N ATOM 2255 CA ASP B 617 -3.021 6.758 9.057 1.00 0.54 C ATOM 2256 C ASP B 617 -3.539 5.474 8.403 1.00 31.41 C ATOM 2257 O ASP B 617 -4.675 5.427 7.935 1.00 64.21 O ATOM 2258 CB ASP B 617 -2.407 6.385 10.408 1.00 3.41 C ATOM 2259 CG ASP B 617 -2.118 7.569 11.334 1.00 34.00 C ATOM 2260 OD1 ASP B 617 -0.954 7.915 11.585 1.00 5.14 O ATOM 2261 OD2 ASP B 617 -3.164 8.153 11.815 1.00 32.53 O ATOM 0 H ASP B 617 -4.260 8.026 10.176 1.00 35.43 H new ATOM 0 HA ASP B 617 -2.264 7.238 8.437 1.00 0.54 H new ATOM 0 HB2 ASP B 617 -3.081 5.698 10.920 1.00 3.41 H new ATOM 0 HB3 ASP B 617 -1.477 5.845 10.231 1.00 3.41 H new ATOM 2267 N VAL B 618 -2.678 4.466 8.391 1.00 60.45 N ATOM 2268 CA VAL B 618 -3.035 3.187 7.803 1.00 71.01 C ATOM 2269 C VAL B 618 -2.686 2.065 8.784 1.00 52.14 C ATOM 2270 O VAL B 618 -1.921 1.161 8.453 1.00 72.10 O ATOM 2271 CB VAL B 618 -2.349 3.026 6.445 1.00 63.33 C ATOM 2272 CG1 VAL B 618 -3.263 3.493 5.310 1.00 61.31 C ATOM 2273 CG2 VAL B 618 -1.013 3.771 6.414 1.00 73.24 C ATOM 0 H VAL B 618 -1.736 4.510 8.779 1.00 60.45 H new ATOM 0 HA VAL B 618 -4.108 3.138 7.619 1.00 71.01 H new ATOM 0 HB VAL B 618 -2.145 1.966 6.297 1.00 63.33 H new ATOM 0 HG11 VAL B 618 -2.751 3.368 4.356 1.00 61.31 H new ATOM 0 HG12 VAL B 618 -4.177 2.900 5.312 1.00 61.31 H new ATOM 0 HG13 VAL B 618 -3.512 4.544 5.453 1.00 61.31 H new ATOM 0 HG21 VAL B 618 -0.546 3.640 5.438 1.00 73.24 H new ATOM 0 HG22 VAL B 618 -1.184 4.832 6.595 1.00 73.24 H new ATOM 0 HG23 VAL B 618 -0.356 3.372 7.187 1.00 73.24 H new ATOM 2283 N PHE B 619 -3.267 2.161 9.971 1.00 25.44 N ATOM 2284 CA PHE B 619 -3.028 1.165 11.002 1.00 11.22 C ATOM 2285 C PHE B 619 -3.783 1.514 12.287 1.00 72.23 C ATOM 2286 O PHE B 619 -4.893 1.032 12.509 1.00 20.52 O ATOM 2287 CB PHE B 619 -1.526 1.173 11.292 1.00 22.20 C ATOM 2288 CG PHE B 619 -0.737 0.118 10.512 1.00 3.55 C ATOM 2289 CD1 PHE B 619 -1.120 -1.185 10.552 1.00 44.43 C ATOM 2290 CD2 PHE B 619 0.349 0.485 9.779 1.00 21.51 C ATOM 2291 CE1 PHE B 619 -0.390 -2.164 9.828 1.00 2.14 C ATOM 2292 CE2 PHE B 619 1.080 -0.492 9.056 1.00 51.22 C ATOM 2293 CZ PHE B 619 0.696 -1.796 9.095 1.00 0.11 C ATOM 0 H PHE B 619 -3.902 2.912 10.242 1.00 25.44 H new ATOM 0 HA PHE B 619 -3.373 0.188 10.662 1.00 11.22 H new ATOM 0 HB2 PHE B 619 -1.126 2.159 11.056 1.00 22.20 H new ATOM 0 HB3 PHE B 619 -1.371 1.013 12.359 1.00 22.20 H new ATOM 0 HD1 PHE B 619 -1.981 -1.476 11.135 1.00 44.43 H new ATOM 0 HD2 PHE B 619 0.654 1.520 9.748 1.00 21.51 H new ATOM 0 HE1 PHE B 619 -0.696 -3.199 9.859 1.00 2.14 H new ATOM 0 HE2 PHE B 619 1.942 -0.200 8.474 1.00 51.22 H new ATOM 0 HZ PHE B 619 1.253 -2.540 8.544 1.00 0.11 H new ATOM 2303 N GLU B 620 -3.152 2.348 13.100 1.00 25.21 N ATOM 2304 CA GLU B 620 -3.751 2.767 14.355 1.00 20.41 C ATOM 2305 C GLU B 620 -3.920 1.567 15.289 1.00 10.51 C ATOM 2306 O GLU B 620 -4.592 1.663 16.315 1.00 10.54 O ATOM 2307 CB GLU B 620 -5.088 3.469 14.117 1.00 32.30 C ATOM 2308 CG GLU B 620 -5.020 4.377 12.888 1.00 52.04 C ATOM 2309 CD GLU B 620 -4.107 5.577 13.142 1.00 45.41 C ATOM 2310 OE1 GLU B 620 -2.904 5.399 13.389 1.00 45.45 O ATOM 2311 OE2 GLU B 620 -4.684 6.727 13.074 1.00 53.42 O ATOM 0 H GLU B 620 -2.231 2.745 12.914 1.00 25.21 H new ATOM 0 HA GLU B 620 -3.083 3.483 14.833 1.00 20.41 H new ATOM 0 HB2 GLU B 620 -5.874 2.726 13.981 1.00 32.30 H new ATOM 0 HB3 GLU B 620 -5.355 4.058 14.994 1.00 32.30 H new ATOM 0 HG2 GLU B 620 -4.652 3.810 12.033 1.00 52.04 H new ATOM 0 HG3 GLU B 620 -6.021 4.725 12.633 1.00 52.04 H new ATOM 2319 N TRP B 621 -3.300 0.462 14.899 1.00 11.35 N ATOM 2320 CA TRP B 621 -3.373 -0.756 15.689 1.00 24.13 C ATOM 2321 C TRP B 621 -1.960 -1.329 15.806 1.00 42.02 C ATOM 2322 O TRP B 621 -1.011 -0.765 15.264 1.00 11.11 O ATOM 2323 CB TRP B 621 -4.370 -1.743 15.080 1.00 73.32 C ATOM 2324 CG TRP B 621 -3.834 -2.497 13.861 1.00 45.15 C ATOM 2325 CD1 TRP B 621 -2.843 -3.398 13.818 1.00 51.44 C ATOM 2326 CD2 TRP B 621 -4.304 -2.377 12.502 1.00 21.22 C ATOM 2327 NE1 TRP B 621 -2.641 -3.865 12.536 1.00 63.02 N ATOM 2328 CE2 TRP B 621 -3.556 -3.225 11.710 1.00 20.41 C ATOM 2329 CE3 TRP B 621 -5.326 -1.578 11.959 1.00 41.52 C ATOM 2330 CZ2 TRP B 621 -3.753 -3.357 10.331 1.00 31.15 C ATOM 2331 CZ3 TRP B 621 -5.508 -1.721 10.579 1.00 32.13 C ATOM 2332 CH2 TRP B 621 -4.765 -2.571 9.768 1.00 64.22 C ATOM 0 H TRP B 621 -2.745 0.385 14.047 1.00 11.35 H new ATOM 0 HA TRP B 621 -3.746 -0.545 16.691 1.00 24.13 H new ATOM 0 HB2 TRP B 621 -4.662 -2.466 15.842 1.00 73.32 H new ATOM 0 HB3 TRP B 621 -5.271 -1.202 14.792 1.00 73.32 H new ATOM 0 HD1 TRP B 621 -2.274 -3.718 14.679 1.00 51.44 H new ATOM 0 HE1 TRP B 621 -1.947 -4.554 12.247 1.00 63.02 H new ATOM 0 HE3 TRP B 621 -5.923 -0.907 12.559 1.00 41.52 H new ATOM 0 HZ2 TRP B 621 -3.156 -4.030 9.733 1.00 31.15 H new ATOM 0 HZ3 TRP B 621 -6.280 -1.129 10.111 1.00 32.13 H new ATOM 0 HH2 TRP B 621 -4.968 -2.625 8.709 1.00 64.22 H new ATOM 2343 N GLU B 622 -1.864 -2.442 16.519 1.00 25.53 N ATOM 2344 CA GLU B 622 -0.582 -3.096 16.715 1.00 41.33 C ATOM 2345 C GLU B 622 0.208 -3.119 15.406 1.00 13.42 C ATOM 2346 O GLU B 622 -0.343 -2.850 14.339 1.00 1.24 O ATOM 2347 CB GLU B 622 -0.769 -4.511 17.267 1.00 62.13 C ATOM 2348 CG GLU B 622 0.559 -5.086 17.763 1.00 34.31 C ATOM 2349 CD GLU B 622 1.311 -4.066 18.622 1.00 41.32 C ATOM 2350 OE1 GLU B 622 2.466 -3.732 18.319 1.00 64.15 O ATOM 2351 OE2 GLU B 622 0.653 -3.616 19.636 1.00 44.04 O ATOM 0 H GLU B 622 -2.653 -2.907 16.968 1.00 25.53 H new ATOM 0 HA GLU B 622 -0.013 -2.526 17.449 1.00 41.33 H new ATOM 0 HB2 GLU B 622 -1.490 -4.494 18.084 1.00 62.13 H new ATOM 0 HB3 GLU B 622 -1.182 -5.156 16.491 1.00 62.13 H new ATOM 0 HG2 GLU B 622 0.374 -5.990 18.344 1.00 34.31 H new ATOM 0 HG3 GLU B 622 1.175 -5.375 16.912 1.00 34.31 H new ATOM 2359 N ASP B 623 1.488 -3.442 15.529 1.00 21.43 N ATOM 2360 CA ASP B 623 2.359 -3.503 14.368 1.00 72.32 C ATOM 2361 C ASP B 623 2.138 -2.262 13.503 1.00 14.13 C ATOM 2362 O ASP B 623 1.385 -2.304 12.531 1.00 14.44 O ATOM 2363 CB ASP B 623 2.052 -4.735 13.514 1.00 24.22 C ATOM 2364 CG ASP B 623 1.622 -5.976 14.299 1.00 54.21 C ATOM 2365 OD1 ASP B 623 2.265 -6.361 15.287 1.00 4.31 O ATOM 2366 OD2 ASP B 623 0.564 -6.563 13.852 1.00 14.51 O ATOM 0 H ASP B 623 1.942 -3.664 16.415 1.00 21.43 H new ATOM 0 HA ASP B 623 3.389 -3.556 14.722 1.00 72.32 H new ATOM 0 HB2 ASP B 623 1.263 -4.480 12.806 1.00 24.22 H new ATOM 0 HB3 ASP B 623 2.938 -4.983 12.929 1.00 24.22 H new ATOM 2372 N ASP B 624 2.805 -1.185 13.889 1.00 63.21 N ATOM 2373 CA ASP B 624 2.691 0.069 13.160 1.00 2.44 C ATOM 2374 C ASP B 624 3.509 -0.020 11.871 1.00 5.53 C ATOM 2375 O ASP B 624 2.950 -0.057 10.776 1.00 43.52 O ATOM 2376 CB ASP B 624 3.231 1.237 13.986 1.00 43.24 C ATOM 2377 CG ASP B 624 3.676 2.453 13.170 1.00 11.11 C ATOM 2378 OD1 ASP B 624 2.967 2.904 12.258 1.00 61.32 O ATOM 2379 OD2 ASP B 624 4.817 2.950 13.511 1.00 24.20 O ATOM 0 H ASP B 624 3.427 -1.153 14.697 1.00 63.21 H new ATOM 0 HA ASP B 624 1.636 0.239 12.944 1.00 2.44 H new ATOM 0 HB2 ASP B 624 2.460 1.552 14.689 1.00 43.24 H new ATOM 0 HB3 ASP B 624 4.077 0.885 14.576 1.00 43.24 H new ATOM 2385 N GLU B 625 4.823 -0.050 12.044 1.00 20.02 N ATOM 2386 CA GLU B 625 5.725 -0.132 10.907 1.00 44.10 C ATOM 2387 C GLU B 625 6.559 -1.412 10.983 1.00 71.11 C ATOM 2388 O GLU B 625 7.275 -1.748 10.042 1.00 31.20 O ATOM 2389 CB GLU B 625 6.624 1.104 10.829 1.00 13.31 C ATOM 2390 CG GLU B 625 7.274 1.395 12.184 1.00 75.10 C ATOM 2391 CD GLU B 625 8.246 0.281 12.577 1.00 32.24 C ATOM 2392 OE1 GLU B 625 8.874 -0.331 11.700 1.00 75.01 O ATOM 2393 OE2 GLU B 625 8.339 0.059 13.844 1.00 11.44 O ATOM 0 H GLU B 625 5.284 -0.019 12.953 1.00 20.02 H new ATOM 0 HA GLU B 625 5.127 -0.164 9.996 1.00 44.10 H new ATOM 0 HB2 GLU B 625 7.397 0.949 10.076 1.00 13.31 H new ATOM 0 HB3 GLU B 625 6.037 1.966 10.510 1.00 13.31 H new ATOM 0 HG2 GLU B 625 7.804 2.346 12.140 1.00 75.10 H new ATOM 0 HG3 GLU B 625 6.502 1.495 12.947 1.00 75.10 H new ATOM 2401 N SER B 626 6.438 -2.093 12.114 1.00 3.43 N ATOM 2402 CA SER B 626 7.172 -3.328 12.326 1.00 72.44 C ATOM 2403 C SER B 626 7.288 -4.100 11.009 1.00 60.04 C ATOM 2404 O SER B 626 6.355 -4.110 10.207 1.00 70.54 O ATOM 2405 CB SER B 626 6.497 -4.195 13.391 1.00 35.15 C ATOM 2406 OG SER B 626 5.319 -4.828 12.896 1.00 4.03 O ATOM 0 H SER B 626 5.842 -1.812 12.893 1.00 3.43 H new ATOM 0 HA SER B 626 8.171 -3.075 12.682 1.00 72.44 H new ATOM 0 HB2 SER B 626 7.198 -4.954 13.738 1.00 35.15 H new ATOM 0 HB3 SER B 626 6.242 -3.578 14.253 1.00 35.15 H new ATOM 0 HG SER B 626 4.858 -4.223 12.278 1.00 4.03 H new ATOM 2412 N ASP B 627 8.441 -4.727 10.828 1.00 24.54 N ATOM 2413 CA ASP B 627 8.691 -5.500 9.624 1.00 32.12 C ATOM 2414 C ASP B 627 8.069 -6.890 9.776 1.00 14.14 C ATOM 2415 O ASP B 627 8.250 -7.752 8.917 1.00 24.25 O ATOM 2416 CB ASP B 627 10.191 -5.677 9.384 1.00 1.41 C ATOM 2417 CG ASP B 627 10.873 -4.512 8.666 1.00 61.45 C ATOM 2418 OD1 ASP B 627 11.102 -3.445 9.253 1.00 61.00 O ATOM 2419 OD2 ASP B 627 11.178 -4.735 7.432 1.00 21.33 O ATOM 0 H ASP B 627 9.212 -4.715 11.495 1.00 24.54 H new ATOM 0 HA ASP B 627 8.252 -4.964 8.783 1.00 32.12 H new ATOM 0 HB2 ASP B 627 10.682 -5.829 10.345 1.00 1.41 H new ATOM 0 HB3 ASP B 627 10.346 -6.584 8.800 1.00 1.41 H new ATOM 2425 N GLU B 628 7.349 -7.064 10.873 1.00 14.44 N ATOM 2426 CA GLU B 628 6.699 -8.335 11.149 1.00 65.14 C ATOM 2427 C GLU B 628 5.736 -8.695 10.017 1.00 32.14 C ATOM 2428 O GLU B 628 5.444 -9.870 9.795 1.00 70.04 O ATOM 2429 CB GLU B 628 5.974 -8.299 12.495 1.00 14.41 C ATOM 2430 CG GLU B 628 4.564 -7.725 12.343 1.00 3.20 C ATOM 2431 CD GLU B 628 3.825 -7.723 13.684 1.00 42.30 C ATOM 2432 OE1 GLU B 628 2.719 -8.273 13.781 1.00 1.42 O ATOM 2433 OE2 GLU B 628 4.441 -7.123 14.644 1.00 3.33 O ATOM 0 H GLU B 628 7.201 -6.346 11.582 1.00 14.44 H new ATOM 0 HA GLU B 628 7.465 -9.108 11.207 1.00 65.14 H new ATOM 0 HB2 GLU B 628 5.918 -9.306 12.909 1.00 14.41 H new ATOM 0 HB3 GLU B 628 6.542 -7.695 13.202 1.00 14.41 H new ATOM 0 HG2 GLU B 628 4.621 -6.708 11.954 1.00 3.20 H new ATOM 0 HG3 GLU B 628 4.004 -8.314 11.616 1.00 3.20 H new ATOM 2441 N ILE B 629 5.270 -7.664 9.330 1.00 24.41 N ATOM 2442 CA ILE B 629 4.344 -7.858 8.225 1.00 43.42 C ATOM 2443 C ILE B 629 5.138 -8.054 6.931 1.00 31.11 C ATOM 2444 O ILE B 629 4.581 -7.962 5.838 1.00 23.45 O ATOM 2445 CB ILE B 629 3.339 -6.707 8.160 1.00 50.14 C ATOM 2446 CG1 ILE B 629 4.045 -5.354 8.285 1.00 52.51 C ATOM 2447 CG2 ILE B 629 2.241 -6.878 9.211 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.290 -5.301 7.398 1.00 61.41 C ATOM 0 H ILE B 629 5.515 -6.691 9.516 1.00 24.41 H new ATOM 0 HA ILE B 629 3.751 -8.760 8.378 1.00 43.42 H new ATOM 0 HB ILE B 629 2.857 -6.730 7.183 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.359 -4.555 8.004 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.327 -5.181 9.324 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.540 -6.046 9.143 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.712 -7.814 9.035 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.688 -6.895 10.205 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.772 -4.330 7.506 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.984 -6.086 7.698 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.002 -5.450 6.357 1.00 61.41 H new ATOM 2460 N ALA B 630 6.424 -8.323 7.098 1.00 41.41 N ATOM 2461 CA ALA B 630 7.299 -8.535 5.956 1.00 34.31 C ATOM 2462 C ALA B 630 8.210 -9.732 6.233 1.00 73.25 C ATOM 2463 O ALA B 630 9.009 -9.706 7.167 1.00 11.20 O ATOM 2464 CB ALA B 630 8.086 -7.255 5.673 1.00 15.34 C ATOM 0 H ALA B 630 6.882 -8.399 8.006 1.00 41.41 H new ATOM 0 HA ALA B 630 6.718 -8.764 5.063 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.742 -7.413 4.817 1.00 15.34 H new ATOM 0 HB2 ALA B 630 7.393 -6.443 5.454 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.685 -6.995 6.546 1.00 15.34 H new TER 2470 ALA B 630