USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 753 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 38 SER OG : rot -169:sc= 1.12 USER MOD Set 1.2: A 85 GLN : amide:sc= 0.256 K(o=1.6,f=-1!) USER MOD Set 1.3: A 88 SER OG : rot -57:sc= 0.199 USER MOD Set 2.1: A 1 GLY N :NH3+ -172:sc= 1.14 (180deg=0) USER MOD Set 2.2: A 2 HIS : no HD1:sc= 0.351 K(o=1.5,f=-2.3) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.293 USER MOD Single : A 10 TYR OH : rot 152:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 38:sc= 0.124 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -61:sc= 0.793 USER MOD Single : A 20 HIS : no HE2:sc= -0.725 X(o=-0.72,f=-0.83) USER MOD Single : A 21 THR OG1 : rot -3:sc= 0.697 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 33:sc= 1.21 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 25:sc= 0.0688 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.288 K(o=-0.29,f=-0.97) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 52 ASN : amide:sc= 0.0189 K(o=0.019,f=-0.75) USER MOD Single : A 54 SER OG : rot 180:sc= -0.198 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc=-0.00601 X(o=-0.006,f=-0.006) USER MOD Single : A 62 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.155 USER MOD Single : A 68 TYR OH : rot -89:sc= 0.174 USER MOD Single : A 71 ASN : amide:sc= -2.21! C(o=-2.2!,f=-6.6!) USER MOD Single : A 74 LYS NZ :NH3+ -164:sc= -0.0261 (180deg=-0.217) USER MOD Single : A 78 THR OG1 : rot -65:sc= 1.91 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.14) USER MOD Single : A 101 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.641) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.463 -2.264 -13.036 1.00 0.00 N ATOM 2 CA GLY A 1 -39.049 -2.114 -13.426 1.00 0.00 C ATOM 3 C GLY A 1 -38.277 -1.673 -12.201 1.00 0.00 C ATOM 4 O GLY A 1 -38.768 -0.798 -11.495 1.00 0.00 O ATOM 0 H1 GLY A 1 -40.995 -2.695 -13.819 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.529 -2.873 -12.196 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.864 -1.329 -12.818 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.656 -3.056 -13.807 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.949 -1.380 -14.226 1.00 0.00 H new ATOM 8 N HIS A 2 -37.146 -2.315 -11.900 1.00 0.00 N ATOM 9 CA HIS A 2 -36.514 -2.253 -10.587 1.00 0.00 C ATOM 10 C HIS A 2 -35.017 -2.167 -10.843 1.00 0.00 C ATOM 11 O HIS A 2 -34.394 -3.164 -11.192 1.00 0.00 O ATOM 12 CB HIS A 2 -36.933 -3.478 -9.745 1.00 0.00 C ATOM 13 CG HIS A 2 -38.434 -3.663 -9.750 1.00 0.00 C ATOM 14 ND1 HIS A 2 -39.348 -2.891 -9.065 1.00 0.00 N ATOM 15 CD2 HIS A 2 -39.126 -4.411 -10.664 1.00 0.00 C ATOM 16 CE1 HIS A 2 -40.564 -3.155 -9.572 1.00 0.00 C ATOM 17 NE2 HIS A 2 -40.470 -4.027 -10.594 1.00 0.00 N ATOM 0 H HIS A 2 -36.641 -2.897 -12.569 1.00 0.00 H new ATOM 0 HA HIS A 2 -36.825 -1.386 -10.005 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -36.453 -4.374 -10.139 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -36.583 -3.354 -8.720 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -38.710 -5.161 -11.320 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -41.488 -2.728 -9.210 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -41.228 -4.345 -11.198 1.00 0.00 H new ATOM 25 N MET A 3 -34.487 -0.949 -10.810 1.00 0.00 N ATOM 26 CA MET A 3 -33.107 -0.592 -11.105 1.00 0.00 C ATOM 27 C MET A 3 -32.885 0.811 -10.532 1.00 0.00 C ATOM 28 O MET A 3 -33.815 1.396 -9.974 1.00 0.00 O ATOM 29 CB MET A 3 -32.859 -0.639 -12.627 1.00 0.00 C ATOM 30 CG MET A 3 -33.644 0.419 -13.415 1.00 0.00 C ATOM 31 SD MET A 3 -33.574 0.188 -15.210 1.00 0.00 S ATOM 32 CE MET A 3 -34.270 1.772 -15.750 1.00 0.00 C ATOM 0 H MET A 3 -35.047 -0.134 -10.560 1.00 0.00 H new ATOM 0 HA MET A 3 -32.403 -1.293 -10.656 1.00 0.00 H new ATOM 0 HB2 MET A 3 -31.794 -0.504 -12.817 1.00 0.00 H new ATOM 0 HB3 MET A 3 -33.126 -1.628 -12.999 1.00 0.00 H new ATOM 0 HG2 MET A 3 -34.686 0.399 -13.095 1.00 0.00 H new ATOM 0 HG3 MET A 3 -33.254 1.407 -13.169 1.00 0.00 H new ATOM 0 HE1 MET A 3 -34.302 1.803 -16.839 1.00 0.00 H new ATOM 0 HE2 MET A 3 -35.280 1.879 -15.354 1.00 0.00 H new ATOM 0 HE3 MET A 3 -33.647 2.587 -15.382 1.00 0.00 H new ATOM 42 N GLY A 4 -31.689 1.369 -10.705 1.00 0.00 N ATOM 43 CA GLY A 4 -31.428 2.772 -10.434 1.00 0.00 C ATOM 44 C GLY A 4 -30.328 3.230 -11.372 1.00 0.00 C ATOM 45 O GLY A 4 -30.597 3.577 -12.518 1.00 0.00 O ATOM 0 H GLY A 4 -30.874 0.855 -11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.330 3.364 -10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.127 2.911 -9.396 1.00 0.00 H new ATOM 49 N SER A 5 -29.085 3.162 -10.910 1.00 0.00 N ATOM 50 CA SER A 5 -27.910 3.598 -11.649 1.00 0.00 C ATOM 51 C SER A 5 -26.700 2.787 -11.175 1.00 0.00 C ATOM 52 O SER A 5 -26.771 2.194 -10.089 1.00 0.00 O ATOM 53 CB SER A 5 -27.723 5.095 -11.383 1.00 0.00 C ATOM 54 OG SER A 5 -27.766 5.387 -9.996 1.00 0.00 O ATOM 0 H SER A 5 -28.862 2.792 -9.986 1.00 0.00 H new ATOM 0 HA SER A 5 -28.023 3.438 -12.721 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.768 5.422 -11.795 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.502 5.657 -11.898 1.00 0.00 H new ATOM 0 HG SER A 5 -27.642 6.350 -9.860 1.00 0.00 H new ATOM 60 N PRO A 6 -25.586 2.762 -11.923 1.00 0.00 N ATOM 61 CA PRO A 6 -24.405 2.033 -11.493 1.00 0.00 C ATOM 62 C PRO A 6 -23.739 2.687 -10.275 1.00 0.00 C ATOM 63 O PRO A 6 -24.028 3.824 -9.882 1.00 0.00 O ATOM 64 CB PRO A 6 -23.487 1.999 -12.716 1.00 0.00 C ATOM 65 CG PRO A 6 -23.867 3.260 -13.489 1.00 0.00 C ATOM 66 CD PRO A 6 -25.370 3.366 -13.232 1.00 0.00 C ATOM 0 HA PRO A 6 -24.651 1.026 -11.157 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -22.436 2.007 -12.428 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.647 1.100 -13.312 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -23.330 4.136 -13.125 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -23.643 3.168 -14.552 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -25.697 4.406 -13.243 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -25.937 2.845 -14.003 1.00 0.00 H new ATOM 74 N VAL A 7 -22.822 1.950 -9.661 1.00 0.00 N ATOM 75 CA VAL A 7 -22.028 2.413 -8.537 1.00 0.00 C ATOM 76 C VAL A 7 -20.908 3.340 -9.021 1.00 0.00 C ATOM 77 O VAL A 7 -20.250 3.044 -10.020 1.00 0.00 O ATOM 78 CB VAL A 7 -21.549 1.179 -7.753 1.00 0.00 C ATOM 79 CG1 VAL A 7 -20.608 0.252 -8.535 1.00 0.00 C ATOM 80 CG2 VAL A 7 -20.866 1.576 -6.449 1.00 0.00 C ATOM 0 H VAL A 7 -22.607 0.993 -9.939 1.00 0.00 H new ATOM 0 HA VAL A 7 -22.614 3.024 -7.850 1.00 0.00 H new ATOM 0 HB VAL A 7 -22.463 0.620 -7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.321 -0.590 -7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -21.118 -0.117 -9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -19.716 0.804 -8.831 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -20.540 0.680 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -20.001 2.203 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -21.567 2.130 -5.825 1.00 0.00 H new ATOM 90 N SER A 8 -20.662 4.442 -8.308 1.00 0.00 N ATOM 91 CA SER A 8 -19.458 5.245 -8.480 1.00 0.00 C ATOM 92 C SER A 8 -18.395 4.690 -7.536 1.00 0.00 C ATOM 93 O SER A 8 -18.665 4.532 -6.345 1.00 0.00 O ATOM 94 CB SER A 8 -19.730 6.731 -8.188 1.00 0.00 C ATOM 95 OG SER A 8 -20.277 7.392 -9.320 1.00 0.00 O ATOM 0 H SER A 8 -21.297 4.800 -7.594 1.00 0.00 H new ATOM 0 HA SER A 8 -19.116 5.188 -9.513 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.418 6.818 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.802 7.221 -7.893 1.00 0.00 H new ATOM 0 HG SER A 8 -20.440 8.333 -9.102 1.00 0.00 H new ATOM 101 N TYR A 9 -17.219 4.347 -8.057 1.00 0.00 N ATOM 102 CA TYR A 9 -16.042 3.968 -7.284 1.00 0.00 C ATOM 103 C TYR A 9 -15.058 5.142 -7.235 1.00 0.00 C ATOM 104 O TYR A 9 -15.003 5.982 -8.141 1.00 0.00 O ATOM 105 CB TYR A 9 -15.395 2.704 -7.882 1.00 0.00 C ATOM 106 CG TYR A 9 -15.840 1.403 -7.229 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.204 1.100 -7.080 1.00 0.00 C ATOM 108 CD2 TYR A 9 -14.881 0.509 -6.719 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.604 -0.081 -6.426 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.270 -0.614 -5.968 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.639 -0.929 -5.838 1.00 0.00 C ATOM 112 OH TYR A 9 -17.022 -2.025 -5.129 1.00 0.00 O ATOM 0 H TYR A 9 -17.055 4.325 -9.064 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.336 3.731 -6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.627 2.660 -8.946 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.312 2.789 -7.795 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -17.950 1.777 -7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.833 0.688 -6.907 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.651 -0.339 -6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.524 -1.233 -5.492 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.228 -2.494 -4.797 1.00 0.00 H new ATOM 122 N TYR A 10 -14.263 5.171 -6.171 1.00 0.00 N ATOM 123 CA TYR A 10 -13.292 6.192 -5.827 1.00 0.00 C ATOM 124 C TYR A 10 -12.003 5.463 -5.470 1.00 0.00 C ATOM 125 O TYR A 10 -11.955 4.723 -4.484 1.00 0.00 O ATOM 126 CB TYR A 10 -13.819 7.037 -4.661 1.00 0.00 C ATOM 127 CG TYR A 10 -15.096 7.786 -4.984 1.00 0.00 C ATOM 128 CD1 TYR A 10 -15.012 9.057 -5.583 1.00 0.00 C ATOM 129 CD2 TYR A 10 -16.360 7.210 -4.736 1.00 0.00 C ATOM 130 CE1 TYR A 10 -16.180 9.778 -5.881 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.525 7.912 -5.074 1.00 0.00 C ATOM 132 CZ TYR A 10 -17.447 9.216 -5.602 1.00 0.00 C ATOM 133 OH TYR A 10 -18.591 9.925 -5.798 1.00 0.00 O ATOM 0 H TYR A 10 -14.286 4.423 -5.477 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.110 6.880 -6.653 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.995 6.388 -3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.052 7.753 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.045 9.480 -5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.430 6.230 -4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.110 10.761 -6.323 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.490 7.450 -4.929 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.328 9.309 -5.995 1.00 0.00 H new ATOM 143 N PHE A 11 -11.000 5.610 -6.330 1.00 0.00 N ATOM 144 CA PHE A 11 -9.708 4.944 -6.252 1.00 0.00 C ATOM 145 C PHE A 11 -8.620 5.941 -6.668 1.00 0.00 C ATOM 146 O PHE A 11 -7.775 5.660 -7.518 1.00 0.00 O ATOM 147 CB PHE A 11 -9.737 3.643 -7.077 1.00 0.00 C ATOM 148 CG PHE A 11 -10.523 3.631 -8.385 1.00 0.00 C ATOM 149 CD1 PHE A 11 -10.192 4.493 -9.449 1.00 0.00 C ATOM 150 CD2 PHE A 11 -11.579 2.712 -8.554 1.00 0.00 C ATOM 151 CE1 PHE A 11 -10.903 4.431 -10.662 1.00 0.00 C ATOM 152 CE2 PHE A 11 -12.279 2.641 -9.772 1.00 0.00 C ATOM 153 CZ PHE A 11 -11.943 3.501 -10.829 1.00 0.00 C ATOM 0 H PHE A 11 -11.072 6.227 -7.139 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.475 4.632 -5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.706 3.372 -7.306 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.139 2.855 -6.440 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.388 5.205 -9.333 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.853 2.056 -7.741 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.648 5.102 -11.469 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.077 1.923 -9.894 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.480 3.448 -11.764 1.00 0.00 H new ATOM 163 N SER A 12 -8.705 7.145 -6.113 1.00 0.00 N ATOM 164 CA SER A 12 -7.931 8.312 -6.489 1.00 0.00 C ATOM 165 C SER A 12 -7.978 9.297 -5.317 1.00 0.00 C ATOM 166 O SER A 12 -8.879 9.198 -4.485 1.00 0.00 O ATOM 167 CB SER A 12 -8.516 8.895 -7.786 1.00 0.00 C ATOM 168 OG SER A 12 -9.938 8.809 -7.861 1.00 0.00 O ATOM 0 H SER A 12 -9.352 7.338 -5.348 1.00 0.00 H new ATOM 0 HA SER A 12 -6.887 8.072 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.219 9.940 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.083 8.370 -8.638 1.00 0.00 H new ATOM 0 HG SER A 12 -10.245 9.198 -8.707 1.00 0.00 H new ATOM 174 N TYR A 13 -7.004 10.202 -5.227 1.00 0.00 N ATOM 175 CA TYR A 13 -6.893 11.181 -4.154 1.00 0.00 C ATOM 176 C TYR A 13 -7.951 12.267 -4.343 1.00 0.00 C ATOM 177 O TYR A 13 -8.581 12.366 -5.401 1.00 0.00 O ATOM 178 CB TYR A 13 -5.488 11.806 -4.155 1.00 0.00 C ATOM 179 CG TYR A 13 -4.356 10.876 -3.756 1.00 0.00 C ATOM 180 CD1 TYR A 13 -3.763 10.039 -4.718 1.00 0.00 C ATOM 181 CD2 TYR A 13 -3.859 10.885 -2.438 1.00 0.00 C ATOM 182 CE1 TYR A 13 -2.672 9.227 -4.368 1.00 0.00 C ATOM 183 CE2 TYR A 13 -2.748 10.090 -2.092 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.145 9.258 -3.062 1.00 0.00 C ATOM 185 OH TYR A 13 -1.046 8.502 -2.792 1.00 0.00 O ATOM 0 H TYR A 13 -6.255 10.274 -5.915 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.054 10.686 -3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.282 12.192 -5.153 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.489 12.660 -3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.147 10.021 -5.727 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.331 11.504 -1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.233 8.573 -5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.357 10.117 -1.085 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.436 8.525 -3.559 1.00 0.00 H new ATOM 195 N ALA A 14 -8.097 13.127 -3.340 1.00 0.00 N ATOM 196 CA ALA A 14 -8.987 14.273 -3.396 1.00 0.00 C ATOM 197 C ALA A 14 -8.401 15.432 -4.191 1.00 0.00 C ATOM 198 O ALA A 14 -9.144 16.160 -4.852 1.00 0.00 O ATOM 199 CB ALA A 14 -9.288 14.743 -1.975 1.00 0.00 C ATOM 0 H ALA A 14 -7.593 13.044 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.897 13.955 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.956 15.604 -2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.765 13.936 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.359 15.025 -1.481 1.00 0.00 H new ATOM 205 N ASP A 15 -7.091 15.634 -4.090 1.00 0.00 N ATOM 206 CA ASP A 15 -6.408 16.788 -4.664 1.00 0.00 C ATOM 207 C ASP A 15 -5.060 16.306 -5.191 1.00 0.00 C ATOM 208 O ASP A 15 -4.001 16.822 -4.827 1.00 0.00 O ATOM 209 CB ASP A 15 -6.319 17.908 -3.611 1.00 0.00 C ATOM 210 CG ASP A 15 -6.364 19.287 -4.259 1.00 0.00 C ATOM 211 OD1 ASP A 15 -7.463 19.644 -4.735 1.00 0.00 O ATOM 212 OD2 ASP A 15 -5.352 20.029 -4.209 1.00 0.00 O ATOM 0 H ASP A 15 -6.466 14.993 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.951 17.223 -5.503 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.142 17.810 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.395 17.802 -3.042 1.00 0.00 H new ATOM 217 N GLY A 16 -5.086 15.192 -5.929 1.00 0.00 N ATOM 218 CA GLY A 16 -3.862 14.524 -6.358 1.00 0.00 C ATOM 219 C GLY A 16 -4.007 13.501 -7.480 1.00 0.00 C ATOM 220 O GLY A 16 -2.995 12.940 -7.906 1.00 0.00 O ATOM 0 H GLY A 16 -5.944 14.737 -6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.151 15.286 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.424 14.024 -5.494 1.00 0.00 H new ATOM 224 N GLY A 17 -5.204 13.220 -8.002 1.00 0.00 N ATOM 225 CA GLY A 17 -5.336 12.253 -9.087 1.00 0.00 C ATOM 226 C GLY A 17 -5.046 10.859 -8.550 1.00 0.00 C ATOM 227 O GLY A 17 -5.794 10.352 -7.722 1.00 0.00 O ATOM 0 H GLY A 17 -6.080 13.642 -7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.342 12.293 -9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.645 12.496 -9.894 1.00 0.00 H new ATOM 231 N THR A 18 -3.954 10.235 -8.977 1.00 0.00 N ATOM 232 CA THR A 18 -3.598 8.873 -8.573 1.00 0.00 C ATOM 233 C THR A 18 -2.248 8.806 -7.859 1.00 0.00 C ATOM 234 O THR A 18 -1.784 7.709 -7.552 1.00 0.00 O ATOM 235 CB THR A 18 -3.678 7.933 -9.783 1.00 0.00 C ATOM 236 OG1 THR A 18 -2.957 8.480 -10.870 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.133 7.696 -10.203 1.00 0.00 C ATOM 0 H THR A 18 -3.284 10.660 -9.618 1.00 0.00 H new ATOM 0 HA THR A 18 -4.325 8.535 -7.834 1.00 0.00 H new ATOM 0 HB THR A 18 -3.240 6.977 -9.496 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.012 7.873 -11.637 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.159 7.026 -11.063 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.682 7.246 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.594 8.647 -10.470 1.00 0.00 H new ATOM 245 N SER A 19 -1.616 9.938 -7.543 1.00 0.00 N ATOM 246 CA SER A 19 -0.357 9.940 -6.823 1.00 0.00 C ATOM 247 C SER A 19 -0.399 11.047 -5.773 1.00 0.00 C ATOM 248 O SER A 19 -1.088 12.050 -5.961 1.00 0.00 O ATOM 249 CB SER A 19 0.780 10.177 -7.833 1.00 0.00 C ATOM 250 OG SER A 19 2.084 9.909 -7.332 1.00 0.00 O ATOM 0 H SER A 19 -1.965 10.867 -7.780 1.00 0.00 H new ATOM 0 HA SER A 19 -0.187 8.988 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.606 9.552 -8.709 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.740 11.213 -8.168 1.00 0.00 H new ATOM 0 HG SER A 19 2.272 10.502 -6.574 1.00 0.00 H new ATOM 256 N HIS A 20 0.436 10.931 -4.744 1.00 0.00 N ATOM 257 CA HIS A 20 0.999 12.097 -4.081 1.00 0.00 C ATOM 258 C HIS A 20 2.441 12.278 -4.543 1.00 0.00 C ATOM 259 O HIS A 20 3.043 11.352 -5.107 1.00 0.00 O ATOM 260 CB HIS A 20 0.919 11.948 -2.557 1.00 0.00 C ATOM 261 CG HIS A 20 0.439 13.231 -1.944 1.00 0.00 C ATOM 262 ND1 HIS A 20 1.199 14.320 -1.568 1.00 0.00 N ATOM 263 CD2 HIS A 20 -0.877 13.584 -1.850 1.00 0.00 C ATOM 264 CE1 HIS A 20 0.345 15.302 -1.230 1.00 0.00 C ATOM 265 NE2 HIS A 20 -0.931 14.897 -1.375 1.00 0.00 N ATOM 0 H HIS A 20 0.736 10.038 -4.353 1.00 0.00 H new ATOM 0 HA HIS A 20 0.424 12.983 -4.348 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.241 11.135 -2.297 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.899 11.687 -2.156 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.218 14.370 -1.550 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.723 12.961 -2.098 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.642 16.283 -0.889 1.00 0.00 H new ATOM 273 N THR A 21 3.033 13.440 -4.291 1.00 0.00 N ATOM 274 CA THR A 21 4.475 13.579 -4.155 1.00 0.00 C ATOM 275 C THR A 21 4.741 14.578 -3.024 1.00 0.00 C ATOM 276 O THR A 21 3.845 15.324 -2.630 1.00 0.00 O ATOM 277 CB THR A 21 5.097 13.977 -5.510 1.00 0.00 C ATOM 278 OG1 THR A 21 4.750 13.002 -6.479 1.00 0.00 O ATOM 279 CG2 THR A 21 6.629 14.051 -5.517 1.00 0.00 C ATOM 0 H THR A 21 2.522 14.315 -4.175 1.00 0.00 H new ATOM 0 HA THR A 21 4.954 12.638 -3.885 1.00 0.00 H new ATOM 0 HB THR A 21 4.707 14.973 -5.721 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.238 12.284 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.975 14.338 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.961 14.792 -4.789 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.042 13.076 -5.256 1.00 0.00 H new ATOM 287 N GLU A 22 5.963 14.605 -2.495 1.00 0.00 N ATOM 288 CA GLU A 22 6.434 15.670 -1.627 1.00 0.00 C ATOM 289 C GLU A 22 7.920 15.910 -1.899 1.00 0.00 C ATOM 290 O GLU A 22 8.657 14.991 -2.286 1.00 0.00 O ATOM 291 CB GLU A 22 6.129 15.305 -0.167 1.00 0.00 C ATOM 292 CG GLU A 22 6.465 16.431 0.835 1.00 0.00 C ATOM 293 CD GLU A 22 5.319 16.767 1.792 1.00 0.00 C ATOM 294 OE1 GLU A 22 4.550 15.857 2.177 1.00 0.00 O ATOM 295 OE2 GLU A 22 5.177 17.962 2.149 1.00 0.00 O ATOM 0 H GLU A 22 6.658 13.877 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 22 5.917 16.608 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.072 15.054 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.693 14.412 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.338 16.138 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.738 17.329 0.280 1.00 0.00 H new ATOM 302 N TYR A 23 8.341 17.156 -1.686 1.00 0.00 N ATOM 303 CA TYR A 23 9.700 17.653 -1.816 1.00 0.00 C ATOM 304 C TYR A 23 9.993 18.456 -0.543 1.00 0.00 C ATOM 305 O TYR A 23 9.875 19.685 -0.563 1.00 0.00 O ATOM 306 CB TYR A 23 9.834 18.522 -3.079 1.00 0.00 C ATOM 307 CG TYR A 23 9.468 17.843 -4.381 1.00 0.00 C ATOM 308 CD1 TYR A 23 8.127 17.813 -4.807 1.00 0.00 C ATOM 309 CD2 TYR A 23 10.469 17.271 -5.184 1.00 0.00 C ATOM 310 CE1 TYR A 23 7.785 17.206 -6.024 1.00 0.00 C ATOM 311 CE2 TYR A 23 10.140 16.673 -6.413 1.00 0.00 C ATOM 312 CZ TYR A 23 8.791 16.639 -6.836 1.00 0.00 C ATOM 313 OH TYR A 23 8.456 16.061 -8.022 1.00 0.00 O ATOM 0 H TYR A 23 7.694 17.890 -1.399 1.00 0.00 H new ATOM 0 HA TYR A 23 10.417 16.839 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.204 19.404 -2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.864 18.873 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.358 18.259 -4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.498 17.291 -4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.753 17.172 -6.340 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.914 16.242 -7.031 1.00 0.00 H new ATOM 0 HH TYR A 23 9.264 15.720 -8.459 1.00 0.00 H new ATOM 323 N PRO A 24 10.276 17.798 0.591 1.00 0.00 N ATOM 324 CA PRO A 24 10.642 18.497 1.813 1.00 0.00 C ATOM 325 C PRO A 24 12.055 19.065 1.680 1.00 0.00 C ATOM 326 O PRO A 24 12.754 18.830 0.686 1.00 0.00 O ATOM 327 CB PRO A 24 10.552 17.440 2.915 1.00 0.00 C ATOM 328 CG PRO A 24 10.976 16.176 2.182 1.00 0.00 C ATOM 329 CD PRO A 24 10.391 16.359 0.781 1.00 0.00 C ATOM 0 HA PRO A 24 9.992 19.344 2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.213 17.667 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.543 17.358 3.319 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.061 16.074 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.585 15.281 2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.038 15.914 0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.419 15.873 0.695 1.00 0.00 H new ATOM 337 N ASP A 25 12.501 19.784 2.701 1.00 0.00 N ATOM 338 CA ASP A 25 13.863 20.264 2.816 1.00 0.00 C ATOM 339 C ASP A 25 14.212 20.404 4.287 1.00 0.00 C ATOM 340 O ASP A 25 13.328 20.425 5.148 1.00 0.00 O ATOM 341 CB ASP A 25 14.072 21.562 2.030 1.00 0.00 C ATOM 342 CG ASP A 25 13.569 22.847 2.681 1.00 0.00 C ATOM 343 OD1 ASP A 25 12.386 22.939 3.073 1.00 0.00 O ATOM 344 OD2 ASP A 25 14.314 23.846 2.568 1.00 0.00 O ATOM 0 H ASP A 25 11.910 20.053 3.487 1.00 0.00 H new ATOM 0 HA ASP A 25 14.545 19.541 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.139 21.674 1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.581 21.456 1.062 1.00 0.00 H new ATOM 349 N ASP A 26 15.511 20.454 4.568 1.00 0.00 N ATOM 350 CA ASP A 26 16.159 20.327 5.857 1.00 0.00 C ATOM 351 C ASP A 26 15.735 19.030 6.543 1.00 0.00 C ATOM 352 O ASP A 26 16.396 18.007 6.359 1.00 0.00 O ATOM 353 CB ASP A 26 15.973 21.578 6.708 1.00 0.00 C ATOM 354 CG ASP A 26 16.433 22.888 6.075 1.00 0.00 C ATOM 355 OD1 ASP A 26 17.357 22.892 5.226 1.00 0.00 O ATOM 356 OD2 ASP A 26 15.880 23.941 6.465 1.00 0.00 O ATOM 0 H ASP A 26 16.195 20.598 3.825 1.00 0.00 H new ATOM 0 HA ASP A 26 17.236 20.252 5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.916 21.669 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 26 16.513 21.440 7.645 1.00 0.00 H new ATOM 361 N SER A 27 14.608 19.032 7.258 1.00 0.00 N ATOM 362 CA SER A 27 13.941 17.827 7.701 1.00 0.00 C ATOM 363 C SER A 27 12.441 18.104 7.797 1.00 0.00 C ATOM 364 O SER A 27 11.997 18.797 8.723 1.00 0.00 O ATOM 365 CB SER A 27 14.557 17.312 9.010 1.00 0.00 C ATOM 366 OG SER A 27 14.229 15.952 9.212 1.00 0.00 O ATOM 0 H SER A 27 14.134 19.888 7.545 1.00 0.00 H new ATOM 0 HA SER A 27 14.082 17.023 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.640 17.430 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.195 17.908 9.848 1.00 0.00 H new ATOM 0 HG SER A 27 14.175 15.496 8.346 1.00 0.00 H new ATOM 372 N SER A 28 11.672 17.572 6.841 1.00 0.00 N ATOM 373 CA SER A 28 10.248 17.298 7.003 1.00 0.00 C ATOM 374 C SER A 28 9.980 15.854 6.597 1.00 0.00 C ATOM 375 O SER A 28 9.699 15.534 5.441 1.00 0.00 O ATOM 376 CB SER A 28 9.356 18.297 6.261 1.00 0.00 C ATOM 377 OG SER A 28 9.103 19.414 7.086 1.00 0.00 O ATOM 0 H SER A 28 12.031 17.317 5.921 1.00 0.00 H new ATOM 0 HA SER A 28 9.983 17.429 8.052 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.841 18.617 5.339 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.417 17.821 5.979 1.00 0.00 H new ATOM 0 HG SER A 28 8.533 20.052 6.607 1.00 0.00 H new ATOM 383 N ALA A 29 10.084 14.983 7.593 1.00 0.00 N ATOM 384 CA ALA A 29 9.606 13.618 7.607 1.00 0.00 C ATOM 385 C ALA A 29 8.898 13.410 8.947 1.00 0.00 C ATOM 386 O ALA A 29 9.308 13.996 9.957 1.00 0.00 O ATOM 387 CB ALA A 29 10.794 12.663 7.445 1.00 0.00 C ATOM 0 H ALA A 29 10.537 15.236 8.471 1.00 0.00 H new ATOM 0 HA ALA A 29 8.914 13.419 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.437 11.633 7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.296 12.864 6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.495 12.812 8.266 1.00 0.00 H new ATOM 393 N GLY A 30 7.878 12.551 8.990 1.00 0.00 N ATOM 394 CA GLY A 30 7.209 12.200 10.225 1.00 0.00 C ATOM 395 C GLY A 30 5.996 11.344 9.912 1.00 0.00 C ATOM 396 O GLY A 30 6.067 10.444 9.073 1.00 0.00 O ATOM 0 H GLY A 30 7.499 12.084 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.891 11.659 10.880 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.905 13.102 10.756 1.00 0.00 H new ATOM 400 N SER A 31 4.898 11.604 10.615 1.00 0.00 N ATOM 401 CA SER A 31 3.674 10.813 10.607 1.00 0.00 C ATOM 402 C SER A 31 2.456 11.718 10.376 1.00 0.00 C ATOM 403 O SER A 31 2.186 12.613 11.185 1.00 0.00 O ATOM 404 CB SER A 31 3.612 10.004 11.914 1.00 0.00 C ATOM 405 OG SER A 31 3.703 10.813 13.077 1.00 0.00 O ATOM 0 H SER A 31 4.836 12.411 11.235 1.00 0.00 H new ATOM 0 HA SER A 31 3.667 10.102 9.781 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.678 9.442 11.942 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.423 9.275 11.922 1.00 0.00 H new ATOM 0 HG SER A 31 3.394 11.720 12.870 1.00 0.00 H new ATOM 411 N PHE A 32 1.750 11.530 9.260 1.00 0.00 N ATOM 412 CA PHE A 32 0.585 12.330 8.861 1.00 0.00 C ATOM 413 C PHE A 32 -0.456 11.488 8.102 1.00 0.00 C ATOM 414 O PHE A 32 -0.365 10.263 8.056 1.00 0.00 O ATOM 415 CB PHE A 32 1.059 13.545 8.047 1.00 0.00 C ATOM 416 CG PHE A 32 1.781 13.196 6.761 1.00 0.00 C ATOM 417 CD1 PHE A 32 3.131 12.797 6.810 1.00 0.00 C ATOM 418 CD2 PHE A 32 1.136 13.311 5.513 1.00 0.00 C ATOM 419 CE1 PHE A 32 3.821 12.482 5.631 1.00 0.00 C ATOM 420 CE2 PHE A 32 1.847 13.036 4.335 1.00 0.00 C ATOM 421 CZ PHE A 32 3.182 12.610 4.389 1.00 0.00 C ATOM 0 H PHE A 32 1.977 10.797 8.588 1.00 0.00 H new ATOM 0 HA PHE A 32 0.078 12.690 9.756 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.195 14.165 7.807 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.721 14.147 8.669 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.638 12.733 7.762 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.099 13.609 5.464 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.845 12.141 5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.361 13.154 3.377 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.716 12.382 3.478 1.00 0.00 H new ATOM 431 N ILE A 33 -1.481 12.132 7.539 1.00 0.00 N ATOM 432 CA ILE A 33 -2.623 11.516 6.867 1.00 0.00 C ATOM 433 C ILE A 33 -2.830 12.263 5.544 1.00 0.00 C ATOM 434 O ILE A 33 -2.864 13.494 5.539 1.00 0.00 O ATOM 435 CB ILE A 33 -3.862 11.597 7.796 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.564 10.902 9.147 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.110 10.995 7.125 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.723 10.883 10.142 1.00 0.00 C ATOM 0 H ILE A 33 -1.538 13.150 7.541 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.456 10.461 6.652 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.075 12.649 7.987 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.260 9.874 8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.715 11.401 9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.959 11.068 7.804 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.330 11.542 6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.925 9.947 6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.411 10.374 11.054 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.016 11.906 10.379 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.570 10.355 9.704 1.00 0.00 H new ATOM 450 N LEU A 34 -2.950 11.531 4.434 1.00 0.00 N ATOM 451 CA LEU A 34 -3.274 12.052 3.103 1.00 0.00 C ATOM 452 C LEU A 34 -4.789 12.014 2.897 1.00 0.00 C ATOM 453 O LEU A 34 -5.478 11.234 3.563 1.00 0.00 O ATOM 454 CB LEU A 34 -2.595 11.175 2.031 1.00 0.00 C ATOM 455 CG LEU A 34 -1.057 11.230 2.087 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.409 10.121 1.248 1.00 0.00 C ATOM 457 CD2 LEU A 34 -0.558 12.588 1.607 1.00 0.00 C ATOM 0 H LEU A 34 -2.819 10.519 4.437 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.918 13.079 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.920 10.142 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.928 11.496 1.044 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.769 11.077 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.676 10.199 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.727 9.148 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.714 10.227 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.531 12.612 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.882 12.752 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.965 13.372 2.246 1.00 0.00 H new ATOM 469 N ASP A 35 -5.310 12.772 1.931 1.00 0.00 N ATOM 470 CA ASP A 35 -6.722 12.733 1.539 1.00 0.00 C ATOM 471 C ASP A 35 -6.854 11.760 0.367 1.00 0.00 C ATOM 472 O ASP A 35 -6.897 12.141 -0.806 1.00 0.00 O ATOM 473 CB ASP A 35 -7.287 14.134 1.250 1.00 0.00 C ATOM 474 CG ASP A 35 -7.781 14.814 2.527 1.00 0.00 C ATOM 475 OD1 ASP A 35 -8.792 14.361 3.110 1.00 0.00 O ATOM 476 OD2 ASP A 35 -7.149 15.789 3.004 1.00 0.00 O ATOM 0 H ASP A 35 -4.758 13.439 1.392 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.334 12.371 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.517 14.749 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.108 14.056 0.537 1.00 0.00 H new ATOM 481 N ILE A 36 -6.858 10.473 0.714 1.00 0.00 N ATOM 482 CA ILE A 36 -7.057 9.328 -0.170 1.00 0.00 C ATOM 483 C ILE A 36 -8.547 9.034 -0.204 1.00 0.00 C ATOM 484 O ILE A 36 -9.186 8.987 0.852 1.00 0.00 O ATOM 485 CB ILE A 36 -6.214 8.145 0.368 1.00 0.00 C ATOM 486 CG1 ILE A 36 -4.759 8.473 -0.017 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.642 6.740 -0.099 1.00 0.00 C ATOM 488 CD1 ILE A 36 -3.709 7.558 0.591 1.00 0.00 C ATOM 0 H ILE A 36 -6.713 10.186 1.682 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.727 9.518 -1.191 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.361 8.067 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.669 8.433 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.543 9.498 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.981 5.993 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.667 6.548 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.581 6.684 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.719 7.871 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.763 7.614 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.891 6.532 0.271 1.00 0.00 H new ATOM 500 N THR A 37 -9.120 8.834 -1.385 1.00 0.00 N ATOM 501 CA THR A 37 -10.552 8.604 -1.540 1.00 0.00 C ATOM 502 C THR A 37 -10.725 7.147 -1.961 1.00 0.00 C ATOM 503 O THR A 37 -10.336 6.757 -3.064 1.00 0.00 O ATOM 504 CB THR A 37 -11.177 9.630 -2.502 1.00 0.00 C ATOM 505 OG1 THR A 37 -10.631 10.929 -2.326 1.00 0.00 O ATOM 506 CG2 THR A 37 -12.683 9.742 -2.283 1.00 0.00 C ATOM 0 H THR A 37 -8.604 8.827 -2.265 1.00 0.00 H new ATOM 0 HA THR A 37 -11.095 8.757 -0.607 1.00 0.00 H new ATOM 0 HB THR A 37 -10.956 9.268 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.053 11.549 -2.956 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.098 10.474 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.149 8.772 -2.457 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.879 10.060 -1.259 1.00 0.00 H new ATOM 514 N SER A 38 -11.227 6.315 -1.045 1.00 0.00 N ATOM 515 CA SER A 38 -11.140 4.858 -1.128 1.00 0.00 C ATOM 516 C SER A 38 -12.497 4.264 -0.766 1.00 0.00 C ATOM 517 O SER A 38 -12.655 3.638 0.283 1.00 0.00 O ATOM 518 CB SER A 38 -10.003 4.390 -0.203 1.00 0.00 C ATOM 519 OG SER A 38 -9.770 2.994 -0.292 1.00 0.00 O ATOM 0 H SER A 38 -11.714 6.643 -0.211 1.00 0.00 H new ATOM 0 HA SER A 38 -10.903 4.517 -2.136 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.088 4.925 -0.458 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.247 4.649 0.827 1.00 0.00 H new ATOM 0 HG SER A 38 -9.171 2.715 0.432 1.00 0.00 H new ATOM 525 N TYR A 39 -13.513 4.477 -1.605 1.00 0.00 N ATOM 526 CA TYR A 39 -14.861 4.004 -1.301 1.00 0.00 C ATOM 527 C TYR A 39 -15.683 3.781 -2.568 1.00 0.00 C ATOM 528 O TYR A 39 -15.218 4.046 -3.678 1.00 0.00 O ATOM 529 CB TYR A 39 -15.552 4.969 -0.305 1.00 0.00 C ATOM 530 CG TYR A 39 -15.904 6.363 -0.790 1.00 0.00 C ATOM 531 CD1 TYR A 39 -17.145 6.598 -1.407 1.00 0.00 C ATOM 532 CD2 TYR A 39 -15.056 7.452 -0.519 1.00 0.00 C ATOM 533 CE1 TYR A 39 -17.522 7.897 -1.782 1.00 0.00 C ATOM 534 CE2 TYR A 39 -15.454 8.761 -0.838 1.00 0.00 C ATOM 535 CZ TYR A 39 -16.688 8.993 -1.483 1.00 0.00 C ATOM 536 OH TYR A 39 -17.118 10.252 -1.781 1.00 0.00 O ATOM 0 H TYR A 39 -13.427 4.971 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 39 -14.786 3.029 -0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.471 4.493 0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -14.903 5.072 0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -17.815 5.771 -1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.092 7.281 -0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.455 8.057 -2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.813 9.594 -0.589 1.00 0.00 H new ATOM 0 HH TYR A 39 -16.435 10.902 -1.515 1.00 0.00 H new ATOM 546 N LYS A 40 -16.906 3.275 -2.418 1.00 0.00 N ATOM 547 CA LYS A 40 -17.922 3.167 -3.460 1.00 0.00 C ATOM 548 C LYS A 40 -19.195 3.858 -2.985 1.00 0.00 C ATOM 549 O LYS A 40 -19.394 3.978 -1.776 1.00 0.00 O ATOM 550 CB LYS A 40 -18.173 1.694 -3.809 1.00 0.00 C ATOM 551 CG LYS A 40 -18.720 0.849 -2.638 1.00 0.00 C ATOM 552 CD LYS A 40 -20.027 0.088 -2.936 1.00 0.00 C ATOM 553 CE LYS A 40 -19.751 -1.391 -3.209 1.00 0.00 C ATOM 554 NZ LYS A 40 -20.971 -2.186 -3.449 1.00 0.00 N ATOM 0 H LYS A 40 -17.230 2.912 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.577 3.660 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.878 1.644 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.240 1.251 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.957 0.128 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.886 1.505 -1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.709 0.184 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.523 0.534 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.096 -1.476 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.213 -1.814 -2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.710 -3.177 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.589 -2.135 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.475 -1.807 -4.276 1.00 0.00 H new ATOM 568 N LYS A 41 -20.035 4.328 -3.906 1.00 0.00 N ATOM 569 CA LYS A 41 -21.204 5.160 -3.626 1.00 0.00 C ATOM 570 C LYS A 41 -22.357 4.758 -4.535 1.00 0.00 C ATOM 571 O LYS A 41 -22.193 4.702 -5.762 1.00 0.00 O ATOM 572 CB LYS A 41 -20.794 6.610 -3.871 1.00 0.00 C ATOM 573 CG LYS A 41 -21.788 7.673 -3.404 1.00 0.00 C ATOM 574 CD LYS A 41 -21.310 9.033 -3.928 1.00 0.00 C ATOM 575 CE LYS A 41 -22.240 10.130 -3.426 1.00 0.00 C ATOM 576 NZ LYS A 41 -21.823 11.463 -3.912 1.00 0.00 N ATOM 0 H LYS A 41 -19.917 4.134 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.541 5.034 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.841 6.787 -3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.624 6.744 -4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -22.787 7.451 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -21.850 7.685 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.291 9.225 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.292 9.028 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -23.258 9.924 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.252 10.127 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.479 12.185 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.861 11.670 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.836 11.473 -4.952 1.00 0.00 H new ATOM 590 N THR A 42 -23.514 4.469 -3.945 1.00 0.00 N ATOM 591 CA THR A 42 -24.712 3.988 -4.632 1.00 0.00 C ATOM 592 C THR A 42 -25.842 3.832 -3.610 1.00 0.00 C ATOM 593 O THR A 42 -25.592 3.696 -2.406 1.00 0.00 O ATOM 594 CB THR A 42 -24.413 2.675 -5.395 1.00 0.00 C ATOM 595 OG1 THR A 42 -25.536 2.173 -6.084 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.845 1.559 -4.511 1.00 0.00 C ATOM 0 H THR A 42 -23.649 4.567 -2.939 1.00 0.00 H new ATOM 0 HA THR A 42 -25.032 4.711 -5.382 1.00 0.00 H new ATOM 0 HB THR A 42 -23.647 2.967 -6.114 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.292 1.346 -6.549 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.662 0.672 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.909 1.891 -4.062 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.560 1.319 -3.724 1.00 0.00 H new ATOM 604 N GLY A 43 -27.085 3.805 -4.098 1.00 0.00 N ATOM 605 CA GLY A 43 -28.290 3.795 -3.291 1.00 0.00 C ATOM 606 C GLY A 43 -28.280 5.020 -2.393 1.00 0.00 C ATOM 607 O GLY A 43 -28.494 6.138 -2.873 1.00 0.00 O ATOM 0 H GLY A 43 -27.278 3.789 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.173 3.801 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.336 2.886 -2.691 1.00 0.00 H new ATOM 611 N ASN A 44 -27.968 4.816 -1.114 1.00 0.00 N ATOM 612 CA ASN A 44 -27.864 5.872 -0.121 1.00 0.00 C ATOM 613 C ASN A 44 -26.774 5.574 0.919 1.00 0.00 C ATOM 614 O ASN A 44 -26.926 5.923 2.090 1.00 0.00 O ATOM 615 CB ASN A 44 -29.232 6.065 0.548 1.00 0.00 C ATOM 616 CG ASN A 44 -29.297 7.362 1.284 1.00 0.00 C ATOM 617 OD1 ASN A 44 -28.864 8.406 0.801 1.00 0.00 O ATOM 618 ND2 ASN A 44 -29.965 7.352 2.408 1.00 0.00 N ATOM 0 H ASN A 44 -27.777 3.888 -0.736 1.00 0.00 H new ATOM 0 HA ASN A 44 -27.570 6.795 -0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.017 6.034 -0.208 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.421 5.243 1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -30.138 8.225 2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -30.313 6.471 2.787 1.00 0.00 H new ATOM 625 N SER A 45 -25.721 4.843 0.546 1.00 0.00 N ATOM 626 CA SER A 45 -24.635 4.518 1.462 1.00 0.00 C ATOM 627 C SER A 45 -23.316 4.446 0.704 1.00 0.00 C ATOM 628 O SER A 45 -23.273 4.392 -0.532 1.00 0.00 O ATOM 629 CB SER A 45 -24.963 3.210 2.190 1.00 0.00 C ATOM 630 OG SER A 45 -24.132 2.961 3.314 1.00 0.00 O ATOM 0 H SER A 45 -25.601 4.464 -0.393 1.00 0.00 H new ATOM 0 HA SER A 45 -24.528 5.300 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 45 -26.003 3.236 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 45 -24.870 2.381 1.489 1.00 0.00 H new ATOM 0 HG SER A 45 -24.394 2.115 3.733 1.00 0.00 H new ATOM 636 N THR A 46 -22.232 4.376 1.467 1.00 0.00 N ATOM 637 CA THR A 46 -20.865 4.458 0.996 1.00 0.00 C ATOM 638 C THR A 46 -20.031 3.390 1.698 1.00 0.00 C ATOM 639 O THR A 46 -19.845 3.435 2.917 1.00 0.00 O ATOM 640 CB THR A 46 -20.300 5.878 1.190 1.00 0.00 C ATOM 641 OG1 THR A 46 -20.812 6.517 2.352 1.00 0.00 O ATOM 642 CG2 THR A 46 -20.643 6.773 0.000 1.00 0.00 C ATOM 0 H THR A 46 -22.291 4.255 2.478 1.00 0.00 H new ATOM 0 HA THR A 46 -20.829 4.264 -0.076 1.00 0.00 H new ATOM 0 HB THR A 46 -19.222 5.749 1.289 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.422 7.413 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.232 7.769 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.216 6.349 -0.909 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.726 6.840 -0.105 1.00 0.00 H new ATOM 650 N LYS A 47 -19.556 2.403 0.940 1.00 0.00 N ATOM 651 CA LYS A 47 -18.660 1.354 1.432 1.00 0.00 C ATOM 652 C LYS A 47 -17.218 1.838 1.247 1.00 0.00 C ATOM 653 O LYS A 47 -16.783 1.952 0.100 1.00 0.00 O ATOM 654 CB LYS A 47 -18.912 0.033 0.670 1.00 0.00 C ATOM 655 CG LYS A 47 -19.296 -1.169 1.555 1.00 0.00 C ATOM 656 CD LYS A 47 -18.763 -2.511 1.026 1.00 0.00 C ATOM 657 CE LYS A 47 -17.233 -2.531 0.897 1.00 0.00 C ATOM 658 NZ LYS A 47 -16.708 -3.859 0.523 1.00 0.00 N ATOM 0 H LYS A 47 -19.786 2.307 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.845 1.157 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.707 0.197 -0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.013 -0.222 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.913 -1.006 2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.382 -1.222 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.078 -3.312 1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.208 -2.716 0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.926 -1.800 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.789 -2.223 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.672 -3.815 0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.975 -4.555 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.108 -4.145 -0.394 1.00 0.00 H new ATOM 672 N ALA A 48 -16.495 2.173 2.318 1.00 0.00 N ATOM 673 CA ALA A 48 -15.057 2.431 2.287 1.00 0.00 C ATOM 674 C ALA A 48 -14.317 1.123 2.006 1.00 0.00 C ATOM 675 O ALA A 48 -14.294 0.233 2.860 1.00 0.00 O ATOM 676 CB ALA A 48 -14.584 3.055 3.605 1.00 0.00 C ATOM 0 H ALA A 48 -16.902 2.274 3.248 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.839 3.144 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.510 3.237 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.105 3.998 3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.800 2.374 4.428 1.00 0.00 H new ATOM 682 N LEU A 49 -13.728 0.993 0.816 1.00 0.00 N ATOM 683 CA LEU A 49 -12.901 -0.157 0.486 1.00 0.00 C ATOM 684 C LEU A 49 -11.655 -0.106 1.361 1.00 0.00 C ATOM 685 O LEU A 49 -11.017 0.946 1.489 1.00 0.00 O ATOM 686 CB LEU A 49 -12.459 -0.174 -0.989 1.00 0.00 C ATOM 687 CG LEU A 49 -13.486 -0.549 -2.071 1.00 0.00 C ATOM 688 CD1 LEU A 49 -14.334 -1.769 -1.712 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.394 0.623 -2.429 1.00 0.00 C ATOM 0 H LEU A 49 -13.812 1.677 0.064 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.494 -1.055 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.075 0.818 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.623 -0.868 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.888 -0.814 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.036 -1.975 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.685 -2.633 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.887 -1.571 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.103 0.313 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.938 0.946 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.791 1.449 -2.805 1.00 0.00 H new ATOM 701 N SER A 50 -11.303 -1.252 1.931 1.00 0.00 N ATOM 702 CA SER A 50 -10.028 -1.516 2.567 1.00 0.00 C ATOM 703 C SER A 50 -8.920 -1.502 1.495 1.00 0.00 C ATOM 704 O SER A 50 -9.194 -1.621 0.293 1.00 0.00 O ATOM 705 CB SER A 50 -10.145 -2.879 3.276 1.00 0.00 C ATOM 706 OG SER A 50 -11.400 -3.016 3.938 1.00 0.00 O ATOM 0 H SER A 50 -11.930 -2.056 1.961 1.00 0.00 H new ATOM 0 HA SER A 50 -9.768 -0.757 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.027 -3.681 2.547 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.337 -2.985 4.000 1.00 0.00 H new ATOM 0 HG SER A 50 -11.445 -3.891 4.377 1.00 0.00 H new ATOM 712 N TRP A 51 -7.660 -1.384 1.908 1.00 0.00 N ATOM 713 CA TRP A 51 -6.498 -1.483 1.021 1.00 0.00 C ATOM 714 C TRP A 51 -5.300 -2.050 1.780 1.00 0.00 C ATOM 715 O TRP A 51 -5.436 -2.479 2.930 1.00 0.00 O ATOM 716 CB TRP A 51 -6.192 -0.119 0.371 1.00 0.00 C ATOM 717 CG TRP A 51 -5.665 0.993 1.230 1.00 0.00 C ATOM 718 CD1 TRP A 51 -4.360 1.293 1.435 1.00 0.00 C ATOM 719 CD2 TRP A 51 -6.417 2.045 1.901 1.00 0.00 C ATOM 720 NE1 TRP A 51 -4.256 2.454 2.176 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.495 2.997 2.425 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.789 2.308 2.088 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.915 4.188 3.026 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -8.222 3.486 2.724 1.00 0.00 C ATOM 725 CH2 TRP A 51 -7.287 4.434 3.171 1.00 0.00 C ATOM 0 H TRP A 51 -7.411 -1.214 2.883 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.724 -2.175 0.210 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.469 -0.289 -0.427 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -7.109 0.235 -0.100 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.525 0.711 1.073 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.375 2.856 2.497 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.520 1.594 1.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.191 4.909 3.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.278 3.662 2.869 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.625 5.353 3.627 1.00 0.00 H new ATOM 736 N ASN A 52 -4.123 -2.068 1.155 1.00 0.00 N ATOM 737 CA ASN A 52 -2.855 -2.033 1.875 1.00 0.00 C ATOM 738 C ASN A 52 -1.778 -1.409 0.985 1.00 0.00 C ATOM 739 O ASN A 52 -2.091 -0.906 -0.098 1.00 0.00 O ATOM 740 CB ASN A 52 -2.456 -3.417 2.417 1.00 0.00 C ATOM 741 CG ASN A 52 -2.113 -3.282 3.893 1.00 0.00 C ATOM 742 OD1 ASN A 52 -0.973 -3.015 4.262 1.00 0.00 O ATOM 743 ND2 ASN A 52 -3.105 -3.382 4.759 1.00 0.00 N ATOM 0 H ASN A 52 -4.024 -2.107 0.141 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.969 -1.404 2.758 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.273 -4.126 2.282 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.601 -3.807 1.865 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.931 -3.237 5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.046 -3.605 4.433 1.00 0.00 H new ATOM 750 N ALA A 53 -0.532 -1.392 1.457 1.00 0.00 N ATOM 751 CA ALA A 53 0.641 -0.900 0.746 1.00 0.00 C ATOM 752 C ALA A 53 1.726 -1.971 0.814 1.00 0.00 C ATOM 753 O ALA A 53 1.628 -2.918 1.599 1.00 0.00 O ATOM 754 CB ALA A 53 1.127 0.392 1.398 1.00 0.00 C ATOM 0 H ALA A 53 -0.305 -1.738 2.389 1.00 0.00 H new ATOM 0 HA ALA A 53 0.397 -0.690 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.004 0.760 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.336 1.141 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.388 0.199 2.439 1.00 0.00 H new ATOM 760 N SER A 54 2.766 -1.836 -0.001 1.00 0.00 N ATOM 761 CA SER A 54 4.049 -2.513 0.167 1.00 0.00 C ATOM 762 C SER A 54 5.078 -1.695 -0.619 1.00 0.00 C ATOM 763 O SER A 54 4.720 -1.087 -1.636 1.00 0.00 O ATOM 764 CB SER A 54 4.004 -3.973 -0.331 1.00 0.00 C ATOM 765 OG SER A 54 2.687 -4.517 -0.336 1.00 0.00 O ATOM 0 H SER A 54 2.740 -1.233 -0.824 1.00 0.00 H new ATOM 0 HA SER A 54 4.311 -2.570 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.415 -4.020 -1.339 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.643 -4.588 0.303 1.00 0.00 H new ATOM 0 HG SER A 54 2.716 -5.441 -0.661 1.00 0.00 H new ATOM 771 N GLY A 55 6.338 -1.680 -0.193 1.00 0.00 N ATOM 772 CA GLY A 55 7.380 -0.898 -0.828 1.00 0.00 C ATOM 773 C GLY A 55 8.575 -0.728 0.095 1.00 0.00 C ATOM 774 O GLY A 55 8.970 -1.664 0.793 1.00 0.00 O ATOM 0 H GLY A 55 6.662 -2.218 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.695 -1.387 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.988 0.081 -1.104 1.00 0.00 H new ATOM 778 N ASP A 56 9.185 0.453 0.040 1.00 0.00 N ATOM 779 CA ASP A 56 10.476 0.716 0.663 1.00 0.00 C ATOM 780 C ASP A 56 10.384 0.605 2.183 1.00 0.00 C ATOM 781 O ASP A 56 9.392 1.018 2.786 1.00 0.00 O ATOM 782 CB ASP A 56 11.009 2.095 0.257 1.00 0.00 C ATOM 783 CG ASP A 56 11.052 2.287 -1.256 1.00 0.00 C ATOM 784 OD1 ASP A 56 12.041 1.836 -1.884 1.00 0.00 O ATOM 785 OD2 ASP A 56 10.083 2.866 -1.796 1.00 0.00 O ATOM 0 H ASP A 56 8.792 1.261 -0.443 1.00 0.00 H new ATOM 0 HA ASP A 56 11.176 -0.040 0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.380 2.868 0.700 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.011 2.227 0.665 1.00 0.00 H new ATOM 790 N SER A 57 11.446 0.079 2.797 1.00 0.00 N ATOM 791 CA SER A 57 11.520 -0.317 4.202 1.00 0.00 C ATOM 792 C SER A 57 11.460 0.842 5.199 1.00 0.00 C ATOM 793 O SER A 57 11.530 0.585 6.404 1.00 0.00 O ATOM 794 CB SER A 57 12.802 -1.137 4.418 1.00 0.00 C ATOM 795 OG SER A 57 12.520 -2.518 4.290 1.00 0.00 O ATOM 0 H SER A 57 12.321 -0.090 2.301 1.00 0.00 H new ATOM 0 HA SER A 57 10.628 -0.910 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.559 -0.843 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.213 -0.931 5.406 1.00 0.00 H new ATOM 0 HG SER A 57 13.342 -3.034 4.427 1.00 0.00 H new ATOM 801 N TRP A 58 11.364 2.085 4.732 1.00 0.00 N ATOM 802 CA TRP A 58 11.286 3.299 5.535 1.00 0.00 C ATOM 803 C TRP A 58 9.974 4.039 5.309 1.00 0.00 C ATOM 804 O TRP A 58 9.855 5.189 5.722 1.00 0.00 O ATOM 805 CB TRP A 58 12.504 4.182 5.239 1.00 0.00 C ATOM 806 CG TRP A 58 12.733 4.456 3.787 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.380 3.635 2.936 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.283 5.588 2.992 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.412 4.200 1.681 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.744 5.406 1.657 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.553 6.762 3.266 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.503 6.348 0.652 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.308 7.721 2.268 1.00 0.00 C ATOM 814 CH2 TRP A 58 11.774 7.514 0.959 1.00 0.00 C ATOM 0 H TRP A 58 11.337 2.280 3.731 1.00 0.00 H new ATOM 0 HA TRP A 58 11.302 3.028 6.591 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.384 5.132 5.760 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.393 3.703 5.650 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.808 2.679 3.199 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.871 3.780 0.873 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.174 6.928 4.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.872 6.183 -0.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 10.760 8.620 2.508 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.574 8.246 0.191 1.00 0.00 H new ATOM 825 N ILE A 59 9.001 3.416 4.640 1.00 0.00 N ATOM 826 CA ILE A 59 7.690 3.994 4.397 1.00 0.00 C ATOM 827 C ILE A 59 6.691 3.035 5.031 1.00 0.00 C ATOM 828 O ILE A 59 6.793 1.816 4.867 1.00 0.00 O ATOM 829 CB ILE A 59 7.471 4.250 2.888 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.583 5.168 2.327 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.082 4.883 2.661 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.588 5.299 0.805 1.00 0.00 C ATOM 0 H ILE A 59 9.110 2.481 4.248 1.00 0.00 H new ATOM 0 HA ILE A 59 7.570 4.980 4.846 1.00 0.00 H new ATOM 0 HB ILE A 59 7.516 3.298 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.472 6.160 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.551 4.784 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.933 5.061 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.310 4.207 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.021 5.829 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.399 5.960 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.732 4.316 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.637 5.714 0.472 1.00 0.00 H new ATOM 844 N HIS A 60 5.752 3.590 5.787 1.00 0.00 N ATOM 845 CA HIS A 60 4.881 2.893 6.710 1.00 0.00 C ATOM 846 C HIS A 60 3.480 3.423 6.479 1.00 0.00 C ATOM 847 O HIS A 60 3.186 4.586 6.758 1.00 0.00 O ATOM 848 CB HIS A 60 5.340 3.154 8.147 1.00 0.00 C ATOM 849 CG HIS A 60 6.767 2.749 8.370 1.00 0.00 C ATOM 850 ND1 HIS A 60 7.195 1.471 8.620 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.865 3.563 8.300 1.00 0.00 C ATOM 852 CE1 HIS A 60 8.533 1.517 8.755 1.00 0.00 C ATOM 853 NE2 HIS A 60 8.986 2.771 8.564 1.00 0.00 N ATOM 0 H HIS A 60 5.572 4.594 5.767 1.00 0.00 H new ATOM 0 HA HIS A 60 4.906 1.815 6.550 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.225 4.213 8.376 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.697 2.607 8.837 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.865 4.621 8.081 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.157 0.666 8.985 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.957 3.082 8.604 1.00 0.00 H new ATOM 861 N VAL A 61 2.612 2.581 5.941 1.00 0.00 N ATOM 862 CA VAL A 61 1.241 2.952 5.620 1.00 0.00 C ATOM 863 C VAL A 61 0.370 2.155 6.571 1.00 0.00 C ATOM 864 O VAL A 61 0.150 0.959 6.366 1.00 0.00 O ATOM 865 CB VAL A 61 0.947 2.710 4.130 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.543 2.914 3.820 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.780 3.656 3.248 1.00 0.00 C ATOM 0 H VAL A 61 2.840 1.613 5.713 1.00 0.00 H new ATOM 0 HA VAL A 61 1.042 4.015 5.757 1.00 0.00 H new ATOM 0 HB VAL A 61 1.218 1.678 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.722 2.736 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.136 2.215 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.830 3.935 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.556 3.467 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.535 4.690 3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.841 3.483 3.429 1.00 0.00 H new ATOM 877 N ASN A 62 -0.061 2.785 7.659 1.00 0.00 N ATOM 878 CA ASN A 62 -0.919 2.164 8.626 1.00 0.00 C ATOM 879 C ASN A 62 -2.347 2.538 8.248 1.00 0.00 C ATOM 880 O ASN A 62 -2.921 3.484 8.789 1.00 0.00 O ATOM 881 CB ASN A 62 -0.481 2.604 10.021 1.00 0.00 C ATOM 882 CG ASN A 62 -1.028 1.597 10.990 1.00 0.00 C ATOM 883 OD1 ASN A 62 -0.313 0.705 11.443 1.00 0.00 O ATOM 884 ND2 ASN A 62 -2.324 1.629 11.200 1.00 0.00 N ATOM 0 H ASN A 62 0.185 3.749 7.884 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.860 1.076 8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.606 2.652 10.087 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.858 3.601 10.247 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.769 0.898 11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.886 2.385 10.808 1.00 0.00 H new ATOM 891 N GLY A 63 -2.878 1.834 7.251 1.00 0.00 N ATOM 892 CA GLY A 63 -4.142 2.103 6.589 1.00 0.00 C ATOM 893 C GLY A 63 -4.232 3.549 6.130 1.00 0.00 C ATOM 894 O GLY A 63 -3.555 3.935 5.175 1.00 0.00 O ATOM 0 H GLY A 63 -2.407 1.015 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.253 1.440 5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.965 1.884 7.270 1.00 0.00 H new ATOM 898 N SER A 64 -5.056 4.342 6.806 1.00 0.00 N ATOM 899 CA SER A 64 -5.342 5.728 6.465 1.00 0.00 C ATOM 900 C SER A 64 -4.181 6.674 6.801 1.00 0.00 C ATOM 901 O SER A 64 -4.108 7.756 6.226 1.00 0.00 O ATOM 902 CB SER A 64 -6.627 6.132 7.196 1.00 0.00 C ATOM 903 OG SER A 64 -7.640 5.180 6.912 1.00 0.00 O ATOM 0 H SER A 64 -5.560 4.025 7.635 1.00 0.00 H new ATOM 0 HA SER A 64 -5.475 5.812 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.449 6.183 8.270 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.944 7.125 6.878 1.00 0.00 H new ATOM 0 HG SER A 64 -8.465 5.431 7.378 1.00 0.00 H new ATOM 909 N SER A 65 -3.249 6.285 7.674 1.00 0.00 N ATOM 910 CA SER A 65 -2.068 7.069 7.998 1.00 0.00 C ATOM 911 C SER A 65 -0.927 6.749 7.035 1.00 0.00 C ATOM 912 O SER A 65 -0.883 5.682 6.414 1.00 0.00 O ATOM 913 CB SER A 65 -1.624 6.726 9.417 1.00 0.00 C ATOM 914 OG SER A 65 -2.435 7.340 10.402 1.00 0.00 O ATOM 0 H SER A 65 -3.300 5.401 8.181 1.00 0.00 H new ATOM 0 HA SER A 65 -2.314 8.128 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.651 5.645 9.551 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.589 7.039 9.556 1.00 0.00 H new ATOM 0 HG SER A 65 -2.113 7.090 11.293 1.00 0.00 H new ATOM 920 N VAL A 66 0.039 7.654 6.950 1.00 0.00 N ATOM 921 CA VAL A 66 1.324 7.459 6.305 1.00 0.00 C ATOM 922 C VAL A 66 2.383 7.960 7.284 1.00 0.00 C ATOM 923 O VAL A 66 2.170 8.891 8.067 1.00 0.00 O ATOM 924 CB VAL A 66 1.346 8.167 4.934 1.00 0.00 C ATOM 925 CG1 VAL A 66 0.957 9.648 5.028 1.00 0.00 C ATOM 926 CG2 VAL A 66 2.704 8.033 4.228 1.00 0.00 C ATOM 0 H VAL A 66 -0.060 8.587 7.349 1.00 0.00 H new ATOM 0 HA VAL A 66 1.526 6.412 6.081 1.00 0.00 H new ATOM 0 HB VAL A 66 0.593 7.655 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.989 10.096 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.051 9.734 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.656 10.167 5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.667 8.548 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.482 8.477 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.927 6.979 4.066 1.00 0.00 H new ATOM 936 N SER A 67 3.539 7.318 7.299 1.00 0.00 N ATOM 937 CA SER A 67 4.686 7.765 8.057 1.00 0.00 C ATOM 938 C SER A 67 5.918 7.287 7.308 1.00 0.00 C ATOM 939 O SER A 67 5.868 6.238 6.661 1.00 0.00 O ATOM 940 CB SER A 67 4.637 7.203 9.487 1.00 0.00 C ATOM 941 OG SER A 67 3.313 7.236 10.012 1.00 0.00 O ATOM 0 H SER A 67 3.705 6.459 6.775 1.00 0.00 H new ATOM 0 HA SER A 67 4.702 8.851 8.153 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.006 6.177 9.490 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.300 7.782 10.130 1.00 0.00 H new ATOM 0 HG SER A 67 3.313 6.871 10.922 1.00 0.00 H new ATOM 947 N TYR A 68 7.011 8.030 7.385 1.00 0.00 N ATOM 948 CA TYR A 68 8.265 7.635 6.769 1.00 0.00 C ATOM 949 C TYR A 68 9.430 8.278 7.515 1.00 0.00 C ATOM 950 O TYR A 68 9.213 9.231 8.268 1.00 0.00 O ATOM 951 CB TYR A 68 8.228 7.950 5.264 1.00 0.00 C ATOM 952 CG TYR A 68 7.523 9.223 4.826 1.00 0.00 C ATOM 953 CD1 TYR A 68 7.926 10.462 5.349 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.527 9.183 3.826 1.00 0.00 C ATOM 955 CE1 TYR A 68 7.447 11.650 4.788 1.00 0.00 C ATOM 956 CE2 TYR A 68 6.053 10.375 3.249 1.00 0.00 C ATOM 957 CZ TYR A 68 6.568 11.613 3.687 1.00 0.00 C ATOM 958 OH TYR A 68 6.248 12.758 3.032 1.00 0.00 O ATOM 0 H TYR A 68 7.052 8.923 7.876 1.00 0.00 H new ATOM 0 HA TYR A 68 8.414 6.558 6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.256 7.996 4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.751 7.111 4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.607 10.498 6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.127 8.233 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.752 12.600 5.200 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.300 10.343 2.476 1.00 0.00 H new ATOM 0 HH TYR A 68 5.462 13.166 3.452 1.00 0.00 H new ATOM 968 N ASP A 69 10.637 7.736 7.358 1.00 0.00 N ATOM 969 CA ASP A 69 11.842 8.186 8.057 1.00 0.00 C ATOM 970 C ASP A 69 12.913 8.500 7.013 1.00 0.00 C ATOM 971 O ASP A 69 12.972 7.874 5.947 1.00 0.00 O ATOM 972 CB ASP A 69 12.408 7.105 8.998 1.00 0.00 C ATOM 973 CG ASP A 69 11.512 6.711 10.170 1.00 0.00 C ATOM 974 OD1 ASP A 69 10.841 7.580 10.779 1.00 0.00 O ATOM 975 OD2 ASP A 69 11.455 5.492 10.456 1.00 0.00 O ATOM 0 H ASP A 69 10.809 6.954 6.727 1.00 0.00 H new ATOM 0 HA ASP A 69 11.576 9.058 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.619 6.212 8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.360 7.457 9.395 1.00 0.00 H new ATOM 980 N GLU A 70 13.778 9.464 7.318 1.00 0.00 N ATOM 981 CA GLU A 70 14.815 9.957 6.425 1.00 0.00 C ATOM 982 C GLU A 70 15.846 8.874 6.064 1.00 0.00 C ATOM 983 O GLU A 70 15.850 7.739 6.559 1.00 0.00 O ATOM 984 CB GLU A 70 15.457 11.238 7.004 1.00 0.00 C ATOM 985 CG GLU A 70 15.083 12.472 6.169 1.00 0.00 C ATOM 986 CD GLU A 70 15.511 13.787 6.832 1.00 0.00 C ATOM 987 OE1 GLU A 70 16.679 13.909 7.273 1.00 0.00 O ATOM 988 OE2 GLU A 70 14.670 14.709 6.908 1.00 0.00 O ATOM 0 H GLU A 70 13.774 9.936 8.222 1.00 0.00 H new ATOM 0 HA GLU A 70 14.347 10.226 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.129 11.379 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.541 11.126 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.550 12.396 5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.005 12.484 6.009 1.00 0.00 H new ATOM 995 N ASN A 71 16.703 9.214 5.106 1.00 0.00 N ATOM 996 CA ASN A 71 17.761 8.343 4.619 1.00 0.00 C ATOM 997 C ASN A 71 18.937 8.339 5.607 1.00 0.00 C ATOM 998 O ASN A 71 19.115 9.279 6.382 1.00 0.00 O ATOM 999 CB ASN A 71 18.201 8.766 3.200 1.00 0.00 C ATOM 1000 CG ASN A 71 18.494 10.256 3.059 1.00 0.00 C ATOM 1001 OD1 ASN A 71 18.727 10.961 4.031 1.00 0.00 O ATOM 1002 ND2 ASN A 71 18.400 10.791 1.858 1.00 0.00 N ATOM 0 H ASN A 71 16.679 10.121 4.639 1.00 0.00 H new ATOM 0 HA ASN A 71 17.382 7.323 4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.093 8.203 2.925 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.419 8.491 2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.522 11.796 1.737 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.206 10.200 1.050 1.00 0.00 H new ATOM 1009 N PRO A 72 19.766 7.284 5.583 1.00 0.00 N ATOM 1010 CA PRO A 72 20.941 7.177 6.440 1.00 0.00 C ATOM 1011 C PRO A 72 22.184 7.830 5.814 1.00 0.00 C ATOM 1012 O PRO A 72 23.243 7.858 6.444 1.00 0.00 O ATOM 1013 CB PRO A 72 21.154 5.664 6.577 1.00 0.00 C ATOM 1014 CG PRO A 72 20.750 5.156 5.191 1.00 0.00 C ATOM 1015 CD PRO A 72 19.556 6.040 4.854 1.00 0.00 C ATOM 0 HA PRO A 72 20.792 7.689 7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 72 22.189 5.418 6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.535 5.235 7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 72 21.556 5.269 4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 72 20.482 4.100 5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.494 6.221 3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.621 5.565 5.152 1.00 0.00 H new ATOM 1023 N ALA A 73 22.098 8.288 4.560 1.00 0.00 N ATOM 1024 CA ALA A 73 23.207 8.831 3.794 1.00 0.00 C ATOM 1025 C ALA A 73 22.805 10.182 3.219 1.00 0.00 C ATOM 1026 O ALA A 73 21.633 10.425 2.928 1.00 0.00 O ATOM 1027 CB ALA A 73 23.583 7.859 2.669 1.00 0.00 C ATOM 0 H ALA A 73 21.221 8.287 4.040 1.00 0.00 H new ATOM 0 HA ALA A 73 24.074 8.964 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.415 8.269 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.876 6.901 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.726 7.715 2.011 1.00 0.00 H new ATOM 1033 N LYS A 74 23.795 11.037 2.957 1.00 0.00 N ATOM 1034 CA LYS A 74 23.611 12.399 2.466 1.00 0.00 C ATOM 1035 C LYS A 74 23.450 12.418 0.947 1.00 0.00 C ATOM 1036 O LYS A 74 24.027 13.248 0.246 1.00 0.00 O ATOM 1037 CB LYS A 74 24.663 13.356 3.048 1.00 0.00 C ATOM 1038 CG LYS A 74 26.123 12.917 2.873 1.00 0.00 C ATOM 1039 CD LYS A 74 26.914 13.778 1.881 1.00 0.00 C ATOM 1040 CE LYS A 74 28.430 13.614 2.053 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.920 14.181 3.330 1.00 0.00 N ATOM 0 H LYS A 74 24.776 10.791 3.085 1.00 0.00 H new ATOM 0 HA LYS A 74 22.668 12.798 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.537 14.333 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.465 13.482 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.620 12.947 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.143 11.880 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 74 26.634 13.507 0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.646 14.826 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.685 12.555 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 74 28.941 14.101 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 29.953 14.294 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.477 15.108 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 28.675 13.540 4.111 1.00 0.00 H new ATOM 1055 N GLU A 75 22.701 11.447 0.442 1.00 0.00 N ATOM 1056 CA GLU A 75 22.328 11.317 -0.950 1.00 0.00 C ATOM 1057 C GLU A 75 20.946 11.916 -1.174 1.00 0.00 C ATOM 1058 O GLU A 75 20.216 12.185 -0.219 1.00 0.00 O ATOM 1059 CB GLU A 75 22.310 9.833 -1.323 1.00 0.00 C ATOM 1060 CG GLU A 75 23.732 9.294 -1.503 1.00 0.00 C ATOM 1061 CD GLU A 75 23.831 8.557 -2.830 1.00 0.00 C ATOM 1062 OE1 GLU A 75 23.420 7.374 -2.889 1.00 0.00 O ATOM 1063 OE2 GLU A 75 24.296 9.177 -3.813 1.00 0.00 O ATOM 0 H GLU A 75 22.323 10.698 1.022 1.00 0.00 H new ATOM 0 HA GLU A 75 23.049 11.847 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.798 9.265 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 75 21.745 9.693 -2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.449 10.114 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 75 23.984 8.623 -0.682 1.00 0.00 H new ATOM 1070 N ARG A 76 20.545 12.052 -2.441 1.00 0.00 N ATOM 1071 CA ARG A 76 19.222 12.533 -2.805 1.00 0.00 C ATOM 1072 C ARG A 76 18.513 11.443 -3.587 1.00 0.00 C ATOM 1073 O ARG A 76 18.982 11.050 -4.654 1.00 0.00 O ATOM 1074 CB ARG A 76 19.344 13.840 -3.606 1.00 0.00 C ATOM 1075 CG ARG A 76 18.531 14.959 -2.947 1.00 0.00 C ATOM 1076 CD ARG A 76 17.743 15.812 -3.934 1.00 0.00 C ATOM 1077 NE ARG A 76 18.626 16.609 -4.786 1.00 0.00 N ATOM 1078 CZ ARG A 76 18.294 17.772 -5.340 1.00 0.00 C ATOM 1079 NH1 ARG A 76 17.034 18.186 -5.276 1.00 0.00 N ATOM 1080 NH2 ARG A 76 19.223 18.500 -5.944 1.00 0.00 N ATOM 0 H ARG A 76 21.136 11.829 -3.242 1.00 0.00 H new ATOM 0 HA ARG A 76 18.632 12.758 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.391 14.135 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 76 18.993 13.681 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.839 14.518 -2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 76 19.207 15.603 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.121 15.168 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.070 16.473 -3.388 1.00 0.00 H new ATOM 0 HE ARG A 76 19.562 16.247 -4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.333 17.614 -4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.768 19.076 -5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.187 18.168 -5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 76 18.974 19.393 -6.371 1.00 0.00 H new ATOM 1094 N ARG A 77 17.452 10.859 -3.037 1.00 0.00 N ATOM 1095 CA ARG A 77 16.800 9.667 -3.577 1.00 0.00 C ATOM 1096 C ARG A 77 15.284 9.859 -3.559 1.00 0.00 C ATOM 1097 O ARG A 77 14.808 10.979 -3.378 1.00 0.00 O ATOM 1098 CB ARG A 77 17.270 8.422 -2.793 1.00 0.00 C ATOM 1099 CG ARG A 77 18.808 8.332 -2.670 1.00 0.00 C ATOM 1100 CD ARG A 77 19.311 6.932 -2.316 1.00 0.00 C ATOM 1101 NE ARG A 77 19.133 6.023 -3.459 1.00 0.00 N ATOM 1102 CZ ARG A 77 20.076 5.586 -4.300 1.00 0.00 C ATOM 1103 NH1 ARG A 77 21.364 5.887 -4.159 1.00 0.00 N ATOM 1104 NH2 ARG A 77 19.696 4.830 -5.321 1.00 0.00 N ATOM 0 H ARG A 77 17.011 11.208 -2.186 1.00 0.00 H new ATOM 0 HA ARG A 77 17.083 9.509 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.832 8.441 -1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.897 7.525 -3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 77 19.259 8.644 -3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 77 19.145 9.034 -1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 77 20.364 6.976 -2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.768 6.551 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 77 18.184 5.689 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 77 21.668 6.475 -3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 77 22.047 5.530 -4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.710 4.599 -5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.389 4.480 -5.982 1.00 0.00 H new ATOM 1118 N THR A 78 14.494 8.827 -3.827 1.00 0.00 N ATOM 1119 CA THR A 78 13.091 8.782 -3.463 1.00 0.00 C ATOM 1120 C THR A 78 12.729 7.335 -3.150 1.00 0.00 C ATOM 1121 O THR A 78 13.352 6.398 -3.663 1.00 0.00 O ATOM 1122 CB THR A 78 12.201 9.414 -4.553 1.00 0.00 C ATOM 1123 OG1 THR A 78 10.830 9.418 -4.199 1.00 0.00 O ATOM 1124 CG2 THR A 78 12.293 8.757 -5.926 1.00 0.00 C ATOM 0 H THR A 78 14.818 7.989 -4.310 1.00 0.00 H new ATOM 0 HA THR A 78 12.910 9.384 -2.573 1.00 0.00 H new ATOM 0 HB THR A 78 12.601 10.426 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.507 8.495 -4.132 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.631 9.273 -6.621 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.319 8.816 -6.290 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.995 7.711 -5.850 1.00 0.00 H new ATOM 1132 N GLY A 79 11.671 7.160 -2.364 1.00 0.00 N ATOM 1133 CA GLY A 79 10.930 5.912 -2.312 1.00 0.00 C ATOM 1134 C GLY A 79 9.908 5.917 -3.441 1.00 0.00 C ATOM 1135 O GLY A 79 9.759 6.929 -4.143 1.00 0.00 O ATOM 0 H GLY A 79 11.305 7.884 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.607 5.064 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.431 5.806 -1.349 1.00 0.00 H new ATOM 1139 N LEU A 80 9.218 4.798 -3.624 1.00 0.00 N ATOM 1140 CA LEU A 80 8.121 4.670 -4.567 1.00 0.00 C ATOM 1141 C LEU A 80 7.309 3.417 -4.196 1.00 0.00 C ATOM 1142 O LEU A 80 7.522 2.342 -4.775 1.00 0.00 O ATOM 1143 CB LEU A 80 8.695 4.515 -5.988 1.00 0.00 C ATOM 1144 CG LEU A 80 7.594 4.544 -7.062 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.144 5.974 -7.359 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.115 3.934 -8.350 1.00 0.00 C ATOM 0 H LEU A 80 9.411 3.939 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 80 7.481 5.552 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.409 5.316 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.244 3.576 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 80 6.747 3.974 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.366 5.959 -8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.752 6.428 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.993 6.555 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.331 3.957 -9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.975 4.504 -8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.414 2.902 -8.169 1.00 0.00 H new ATOM 1158 N VAL A 81 6.424 3.489 -3.200 1.00 0.00 N ATOM 1159 CA VAL A 81 5.699 2.281 -2.786 1.00 0.00 C ATOM 1160 C VAL A 81 4.570 1.978 -3.783 1.00 0.00 C ATOM 1161 O VAL A 81 4.350 2.745 -4.721 1.00 0.00 O ATOM 1162 CB VAL A 81 5.233 2.355 -1.313 1.00 0.00 C ATOM 1163 CG1 VAL A 81 6.343 2.889 -0.403 1.00 0.00 C ATOM 1164 CG2 VAL A 81 3.940 3.134 -1.058 1.00 0.00 C ATOM 0 H VAL A 81 6.196 4.336 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 81 6.383 1.432 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 81 5.001 1.319 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.983 2.929 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.209 2.229 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.628 3.890 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.711 3.119 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.065 4.165 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.122 2.673 -1.612 1.00 0.00 H new ATOM 1174 N THR A 82 3.821 0.891 -3.596 1.00 0.00 N ATOM 1175 CA THR A 82 2.613 0.639 -4.374 1.00 0.00 C ATOM 1176 C THR A 82 1.504 0.198 -3.421 1.00 0.00 C ATOM 1177 O THR A 82 1.759 -0.542 -2.467 1.00 0.00 O ATOM 1178 CB THR A 82 2.902 -0.394 -5.476 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.076 -0.060 -6.202 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.713 -0.490 -6.438 1.00 0.00 C ATOM 0 H THR A 82 4.033 0.169 -2.908 1.00 0.00 H new ATOM 0 HA THR A 82 2.280 1.545 -4.881 1.00 0.00 H new ATOM 0 HB THR A 82 3.059 -1.359 -4.993 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.235 -0.735 -6.894 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.931 -1.225 -7.213 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.823 -0.796 -5.888 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.538 0.482 -6.898 1.00 0.00 H new ATOM 1188 N LEU A 83 0.278 0.655 -3.682 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.916 0.407 -2.881 1.00 0.00 C ATOM 1190 C LEU A 83 -2.000 -0.127 -3.811 1.00 0.00 C ATOM 1191 O LEU A 83 -1.996 0.246 -4.987 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.421 1.709 -2.227 1.00 0.00 C ATOM 1193 CG LEU A 83 -0.396 2.466 -1.356 1.00 0.00 C ATOM 1194 CD1 LEU A 83 0.440 3.497 -2.136 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -1.126 3.221 -0.245 1.00 0.00 C ATOM 0 H LEU A 83 0.084 1.236 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.680 -0.306 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.765 2.379 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.288 1.471 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 83 0.281 1.705 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.137 3.988 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.997 2.992 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.221 4.242 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.401 3.755 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.823 3.934 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.676 2.513 0.375 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.933 -0.944 -3.309 1.00 0.00 N ATOM 1208 CA LYS A 84 -4.061 -1.458 -4.092 1.00 0.00 C ATOM 1209 C LYS A 84 -5.279 -1.629 -3.180 1.00 0.00 C ATOM 1210 O LYS A 84 -5.138 -2.167 -2.075 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.656 -2.788 -4.759 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.720 -3.297 -5.739 1.00 0.00 C ATOM 1213 CD LYS A 84 -4.400 -4.699 -6.270 1.00 0.00 C ATOM 1214 CE LYS A 84 -5.625 -5.229 -7.024 1.00 0.00 C ATOM 1215 NZ LYS A 84 -5.415 -6.586 -7.561 1.00 0.00 N ATOM 0 H LYS A 84 -2.926 -1.269 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.328 -0.753 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.713 -2.654 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.485 -3.540 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.690 -3.312 -5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.801 -2.604 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.535 -4.664 -6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.145 -5.366 -5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.485 -5.236 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.865 -4.551 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.272 -6.898 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.612 -6.577 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.213 -7.241 -6.779 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.455 -1.189 -3.640 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.729 -1.350 -2.940 1.00 0.00 C ATOM 1231 C GLN A 85 -8.250 -2.781 -3.094 1.00 0.00 C ATOM 1232 O GLN A 85 -7.978 -3.432 -4.097 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.754 -0.352 -3.517 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.066 0.816 -2.578 1.00 0.00 C ATOM 1235 CD GLN A 85 -9.571 2.060 -3.317 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -8.908 3.096 -3.333 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.728 1.999 -3.960 1.00 0.00 N ATOM 0 H GLN A 85 -6.547 -0.700 -4.530 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.580 -1.152 -1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.374 0.042 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.679 -0.883 -3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.816 0.501 -1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.168 1.073 -2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.275 1.138 -3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.071 2.813 -4.470 1.00 0.00 H new ATOM 1246 N ASP A 86 -9.067 -3.207 -2.129 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.646 -4.547 -1.991 1.00 0.00 C ATOM 1248 C ASP A 86 -10.383 -5.013 -3.250 1.00 0.00 C ATOM 1249 O ASP A 86 -9.946 -5.932 -3.937 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.592 -4.541 -0.781 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.207 -5.914 -0.519 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -10.464 -6.912 -0.392 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.442 -5.959 -0.338 1.00 0.00 O ATOM 0 H ASP A 86 -9.361 -2.587 -1.375 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.833 -5.257 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.045 -4.216 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.388 -3.815 -0.948 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.524 -4.390 -3.549 1.00 0.00 N ATOM 1259 CA GLU A 87 -12.363 -4.765 -4.686 1.00 0.00 C ATOM 1260 C GLU A 87 -11.888 -4.085 -5.969 1.00 0.00 C ATOM 1261 O GLU A 87 -12.217 -4.531 -7.068 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.805 -4.333 -4.394 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.469 -5.190 -3.307 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.119 -6.467 -3.861 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -14.694 -6.994 -4.916 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.126 -6.932 -3.280 1.00 0.00 O ATOM 0 H GLU A 87 -11.893 -3.609 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.302 -5.844 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.811 -3.288 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.392 -4.396 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.722 -5.463 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.227 -4.596 -2.796 1.00 0.00 H new ATOM 1273 N SER A 88 -11.186 -2.964 -5.834 1.00 0.00 N ATOM 1274 CA SER A 88 -10.701 -2.116 -6.912 1.00 0.00 C ATOM 1275 C SER A 88 -9.341 -2.634 -7.414 1.00 0.00 C ATOM 1276 O SER A 88 -9.093 -3.839 -7.388 1.00 0.00 O ATOM 1277 CB SER A 88 -10.717 -0.654 -6.456 1.00 0.00 C ATOM 1278 OG SER A 88 -11.863 -0.390 -5.658 1.00 0.00 O ATOM 0 H SER A 88 -10.927 -2.605 -4.915 1.00 0.00 H new ATOM 0 HA SER A 88 -11.358 -2.159 -7.780 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.813 -0.435 -5.887 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.714 0.004 -7.325 1.00 0.00 H new ATOM 0 HG SER A 88 -12.672 -0.605 -6.167 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.498 -1.765 -7.979 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.220 -2.219 -8.507 1.00 0.00 C ATOM 1286 C GLY A 89 -6.325 -1.134 -9.090 1.00 0.00 C ATOM 1287 O GLY A 89 -5.142 -1.403 -9.292 1.00 0.00 O ATOM 0 H GLY A 89 -8.676 -0.766 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.676 -2.723 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.411 -2.962 -9.281 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.826 0.086 -9.339 1.00 0.00 N ATOM 1292 CA LYS A 90 -5.981 1.222 -9.678 1.00 0.00 C ATOM 1293 C LYS A 90 -4.998 1.399 -8.534 1.00 0.00 C ATOM 1294 O LYS A 90 -5.427 1.547 -7.385 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.817 2.497 -9.829 1.00 0.00 C ATOM 1296 CG LYS A 90 -7.548 2.627 -11.164 1.00 0.00 C ATOM 1297 CD LYS A 90 -8.743 1.694 -11.399 1.00 0.00 C ATOM 1298 CE LYS A 90 -9.378 2.065 -12.748 1.00 0.00 C ATOM 1299 NZ LYS A 90 -8.748 1.322 -13.856 1.00 0.00 N ATOM 0 H LYS A 90 -7.822 0.303 -9.309 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.471 1.042 -10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.551 2.531 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.164 3.360 -9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.897 3.655 -11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.826 2.460 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.419 0.653 -11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.471 1.797 -10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.446 1.848 -12.722 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.274 3.136 -12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.196 1.592 -14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.734 1.549 -13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.869 0.301 -13.702 1.00 0.00 H new ATOM 1313 N THR A 91 -3.710 1.334 -8.824 1.00 0.00 N ATOM 1314 CA THR A 91 -2.697 1.542 -7.813 1.00 0.00 C ATOM 1315 C THR A 91 -2.505 3.044 -7.616 1.00 0.00 C ATOM 1316 O THR A 91 -2.580 3.803 -8.588 1.00 0.00 O ATOM 1317 CB THR A 91 -1.409 0.832 -8.246 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.081 1.153 -9.588 1.00 0.00 O ATOM 1319 CG2 THR A 91 -1.567 -0.694 -8.194 1.00 0.00 C ATOM 0 H THR A 91 -3.344 1.138 -9.756 1.00 0.00 H new ATOM 0 HA THR A 91 -2.996 1.118 -6.854 1.00 0.00 H new ATOM 0 HB THR A 91 -0.632 1.165 -7.558 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.255 0.691 -9.842 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.636 -1.167 -8.507 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.805 -1.001 -7.176 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.372 -0.999 -8.863 1.00 0.00 H new ATOM 1327 N LEU A 92 -2.230 3.460 -6.381 1.00 0.00 N ATOM 1328 CA LEU A 92 -1.782 4.813 -6.066 1.00 0.00 C ATOM 1329 C LEU A 92 -0.260 4.822 -6.042 1.00 0.00 C ATOM 1330 O LEU A 92 0.367 3.779 -5.811 1.00 0.00 O ATOM 1331 CB LEU A 92 -2.335 5.274 -4.709 1.00 0.00 C ATOM 1332 CG LEU A 92 -3.871 5.303 -4.613 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -4.227 5.768 -3.203 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -4.550 6.213 -5.648 1.00 0.00 C ATOM 0 H LEU A 92 -2.313 2.858 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.152 5.503 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.949 4.614 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.953 6.273 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.240 4.300 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.311 5.802 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.811 5.072 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.814 6.762 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.631 6.176 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.202 7.238 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.299 5.872 -6.652 1.00 0.00 H new ATOM 1346 N SER A 93 0.311 6.010 -6.219 1.00 0.00 N ATOM 1347 CA SER A 93 1.746 6.242 -6.240 1.00 0.00 C ATOM 1348 C SER A 93 2.124 7.312 -5.206 1.00 0.00 C ATOM 1349 O SER A 93 1.307 8.166 -4.862 1.00 0.00 O ATOM 1350 CB SER A 93 2.160 6.635 -7.665 1.00 0.00 C ATOM 1351 OG SER A 93 1.809 5.637 -8.608 1.00 0.00 O ATOM 0 H SER A 93 -0.232 6.862 -6.356 1.00 0.00 H new ATOM 0 HA SER A 93 2.285 5.335 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.682 7.576 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.236 6.804 -7.698 1.00 0.00 H new ATOM 0 HG SER A 93 2.086 5.922 -9.504 1.00 0.00 H new ATOM 1357 N LEU A 94 3.349 7.276 -4.681 1.00 0.00 N ATOM 1358 CA LEU A 94 3.764 8.094 -3.547 1.00 0.00 C ATOM 1359 C LEU A 94 5.272 8.312 -3.663 1.00 0.00 C ATOM 1360 O LEU A 94 6.045 7.365 -3.514 1.00 0.00 O ATOM 1361 CB LEU A 94 3.357 7.375 -2.243 1.00 0.00 C ATOM 1362 CG LEU A 94 3.197 8.304 -1.027 1.00 0.00 C ATOM 1363 CD1 LEU A 94 2.696 7.478 0.163 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.497 9.003 -0.624 1.00 0.00 C ATOM 0 H LEU A 94 4.088 6.670 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 94 3.279 9.070 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.416 6.851 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.107 6.619 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 94 2.487 9.081 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.579 8.126 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.735 7.027 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.417 6.693 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.314 9.643 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.248 8.255 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.857 9.610 -1.455 1.00 0.00 H new ATOM 1376 N LYS A 95 5.698 9.538 -3.983 1.00 0.00 N ATOM 1377 CA LYS A 95 7.100 9.889 -4.220 1.00 0.00 C ATOM 1378 C LYS A 95 7.547 10.903 -3.185 1.00 0.00 C ATOM 1379 O LYS A 95 6.820 11.841 -2.871 1.00 0.00 O ATOM 1380 CB LYS A 95 7.273 10.434 -5.645 1.00 0.00 C ATOM 1381 CG LYS A 95 7.324 9.277 -6.640 1.00 0.00 C ATOM 1382 CD LYS A 95 6.998 9.679 -8.077 1.00 0.00 C ATOM 1383 CE LYS A 95 8.022 10.635 -8.690 1.00 0.00 C ATOM 1384 NZ LYS A 95 7.751 10.837 -10.126 1.00 0.00 N ATOM 0 H LYS A 95 5.064 10.330 -4.086 1.00 0.00 H new ATOM 0 HA LYS A 95 7.723 9.000 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.447 11.101 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.188 11.022 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.319 8.833 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.623 8.506 -6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.937 8.781 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.015 10.149 -8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.990 11.593 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.027 10.234 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.457 11.489 -10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.805 9.924 -10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.800 11.241 -10.246 1.00 0.00 H new ATOM 1398 N ILE A 96 8.747 10.720 -2.653 1.00 0.00 N ATOM 1399 CA ILE A 96 9.246 11.494 -1.518 1.00 0.00 C ATOM 1400 C ILE A 96 10.692 11.890 -1.838 1.00 0.00 C ATOM 1401 O ILE A 96 11.613 11.097 -1.616 1.00 0.00 O ATOM 1402 CB ILE A 96 9.134 10.665 -0.216 1.00 0.00 C ATOM 1403 CG1 ILE A 96 7.787 9.937 0.006 1.00 0.00 C ATOM 1404 CG2 ILE A 96 9.437 11.538 1.012 1.00 0.00 C ATOM 1405 CD1 ILE A 96 7.973 8.769 0.974 1.00 0.00 C ATOM 0 H ILE A 96 9.410 10.025 -2.998 1.00 0.00 H new ATOM 0 HA ILE A 96 8.655 12.395 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 96 9.879 9.880 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.049 10.634 0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.401 9.572 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 96 9.353 10.936 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.449 11.936 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.725 12.362 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.018 8.264 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.695 8.065 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.338 9.144 1.930 1.00 0.00 H new ATOM 1417 N VAL A 97 10.911 13.084 -2.395 1.00 0.00 N ATOM 1418 CA VAL A 97 12.218 13.526 -2.872 1.00 0.00 C ATOM 1419 C VAL A 97 12.850 14.432 -1.802 1.00 0.00 C ATOM 1420 O VAL A 97 12.775 15.659 -1.879 1.00 0.00 O ATOM 1421 CB VAL A 97 12.048 14.200 -4.249 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.405 14.491 -4.892 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.286 13.322 -5.254 1.00 0.00 C ATOM 0 H VAL A 97 10.175 13.777 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 97 12.904 12.692 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 97 11.488 15.113 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.254 14.966 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.978 15.157 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.952 13.558 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.198 13.849 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.828 12.389 -5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.291 13.105 -4.866 1.00 0.00 H new ATOM 1433 N GLN A 98 13.440 13.818 -0.778 1.00 0.00 N ATOM 1434 CA GLN A 98 13.956 14.479 0.421 1.00 0.00 C ATOM 1435 C GLN A 98 15.418 14.883 0.212 1.00 0.00 C ATOM 1436 O GLN A 98 16.034 14.374 -0.730 1.00 0.00 O ATOM 1437 CB GLN A 98 13.835 13.530 1.635 1.00 0.00 C ATOM 1438 CG GLN A 98 12.431 12.922 1.726 1.00 0.00 C ATOM 1439 CD GLN A 98 12.123 12.204 3.030 1.00 0.00 C ATOM 1440 OE1 GLN A 98 11.109 12.480 3.669 1.00 0.00 O ATOM 1441 NE2 GLN A 98 12.920 11.209 3.390 1.00 0.00 N ATOM 0 H GLN A 98 13.577 12.807 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 98 13.369 15.377 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.574 12.733 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.057 14.077 2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.698 13.716 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.302 12.219 0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.755 11.001 2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 98 12.699 10.651 4.215 1.00 0.00 H new ATOM 1450 N PRO A 99 15.990 15.745 1.071 1.00 0.00 N ATOM 1451 CA PRO A 99 17.435 15.887 1.240 1.00 0.00 C ATOM 1452 C PRO A 99 18.090 14.582 1.715 1.00 0.00 C ATOM 1453 O PRO A 99 17.466 13.514 1.747 1.00 0.00 O ATOM 1454 CB PRO A 99 17.604 17.039 2.248 1.00 0.00 C ATOM 1455 CG PRO A 99 16.320 16.995 3.064 1.00 0.00 C ATOM 1456 CD PRO A 99 15.294 16.629 1.999 1.00 0.00 C ATOM 0 HA PRO A 99 17.937 16.108 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.483 16.896 2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.726 17.998 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.366 16.253 3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.099 17.954 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 99 14.431 16.132 2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.923 17.519 1.490 1.00 0.00 H new ATOM 1464 N GLY A 100 19.377 14.667 2.052 1.00 0.00 N ATOM 1465 CA GLY A 100 20.160 13.583 2.594 1.00 0.00 C ATOM 1466 C GLY A 100 20.741 13.923 3.959 1.00 0.00 C ATOM 1467 O GLY A 100 21.261 15.023 4.152 1.00 0.00 O ATOM 0 H GLY A 100 19.912 15.529 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.537 12.693 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.970 13.342 1.906 1.00 0.00 H new ATOM 1471 N LYS A 101 20.718 12.954 4.878 1.00 0.00 N ATOM 1472 CA LYS A 101 21.132 13.101 6.273 1.00 0.00 C ATOM 1473 C LYS A 101 22.371 12.253 6.552 1.00 0.00 C ATOM 1474 O LYS A 101 22.543 11.196 5.952 1.00 0.00 O ATOM 1475 CB LYS A 101 19.958 12.646 7.155 1.00 0.00 C ATOM 1476 CG LYS A 101 20.075 13.067 8.632 1.00 0.00 C ATOM 1477 CD LYS A 101 19.628 11.962 9.602 1.00 0.00 C ATOM 1478 CE LYS A 101 18.164 11.536 9.440 1.00 0.00 C ATOM 1479 NZ LYS A 101 17.226 12.665 9.645 1.00 0.00 N ATOM 0 H LYS A 101 20.398 12.010 4.661 1.00 0.00 H new ATOM 0 HA LYS A 101 21.389 14.138 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 101 19.033 13.052 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 101 19.880 11.560 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 101 21.109 13.337 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 101 19.471 13.958 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 101 20.266 11.090 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 101 19.783 12.307 10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.017 11.120 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.937 10.743 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.291 12.296 9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.585 13.281 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.143 13.211 8.764 1.00 0.00 H new ATOM 1493 N THR A 102 23.193 12.652 7.523 1.00 0.00 N ATOM 1494 CA THR A 102 24.160 11.791 8.180 1.00 0.00 C ATOM 1495 C THR A 102 24.294 12.307 9.613 1.00 0.00 C ATOM 1496 O THR A 102 25.069 13.236 9.850 1.00 0.00 O ATOM 1497 CB THR A 102 25.520 11.782 7.449 1.00 0.00 C ATOM 1498 OG1 THR A 102 25.862 13.018 6.832 1.00 0.00 O ATOM 1499 CG2 THR A 102 25.612 10.696 6.376 1.00 0.00 C ATOM 0 H THR A 102 23.200 13.608 7.879 1.00 0.00 H new ATOM 0 HA THR A 102 23.821 10.755 8.167 1.00 0.00 H new ATOM 0 HB THR A 102 26.227 11.582 8.255 1.00 0.00 H new ATOM 0 HG1 THR A 102 26.734 12.934 6.393 1.00 0.00 H new ATOM 0 HG21 THR A 102 26.590 10.739 5.897 1.00 0.00 H new ATOM 0 HG22 THR A 102 25.476 9.717 6.836 1.00 0.00 H new ATOM 0 HG23 THR A 102 24.835 10.856 5.629 1.00 0.00 H new ATOM 1507 N SER A 103 23.500 11.786 10.551 1.00 0.00 N ATOM 1508 CA SER A 103 23.564 12.195 11.949 1.00 0.00 C ATOM 1509 C SER A 103 23.258 11.018 12.873 1.00 0.00 C ATOM 1510 O SER A 103 22.826 9.954 12.411 1.00 0.00 O ATOM 1511 CB SER A 103 22.592 13.357 12.182 1.00 0.00 C ATOM 1512 OG SER A 103 23.053 14.137 13.261 1.00 0.00 O ATOM 0 H SER A 103 22.798 11.071 10.360 1.00 0.00 H new ATOM 0 HA SER A 103 24.574 12.532 12.181 1.00 0.00 H new ATOM 0 HB2 SER A 103 22.515 13.968 11.283 1.00 0.00 H new ATOM 0 HB3 SER A 103 21.594 12.975 12.394 1.00 0.00 H new ATOM 0 HG SER A 103 22.436 14.883 13.413 1.00 0.00 H new ATOM 1518 N ILE A 104 23.487 11.205 14.174 1.00 0.00 N ATOM 1519 CA ILE A 104 23.157 10.250 15.223 1.00 0.00 C ATOM 1520 C ILE A 104 21.666 10.446 15.520 1.00 0.00 C ATOM 1521 O ILE A 104 21.260 10.991 16.550 1.00 0.00 O ATOM 1522 CB ILE A 104 24.085 10.394 16.459 1.00 0.00 C ATOM 1523 CG1 ILE A 104 25.592 10.439 16.107 1.00 0.00 C ATOM 1524 CG2 ILE A 104 23.845 9.201 17.401 1.00 0.00 C ATOM 1525 CD1 ILE A 104 26.134 11.855 15.865 1.00 0.00 C ATOM 0 H ILE A 104 23.922 12.055 14.534 1.00 0.00 H new ATOM 0 HA ILE A 104 23.331 9.222 14.906 1.00 0.00 H new ATOM 0 HB ILE A 104 23.836 11.347 16.926 1.00 0.00 H new ATOM 0 HG12 ILE A 104 26.158 9.978 16.917 1.00 0.00 H new ATOM 0 HG13 ILE A 104 25.764 9.837 15.215 1.00 0.00 H new ATOM 0 HG21 ILE A 104 24.492 9.291 18.274 1.00 0.00 H new ATOM 0 HG22 ILE A 104 22.803 9.194 17.721 1.00 0.00 H new ATOM 0 HG23 ILE A 104 24.070 8.272 16.877 1.00 0.00 H new ATOM 0 HD11 ILE A 104 27.196 11.802 15.624 1.00 0.00 H new ATOM 0 HD12 ILE A 104 25.596 12.314 15.035 1.00 0.00 H new ATOM 0 HD13 ILE A 104 25.996 12.456 16.764 1.00 0.00 H new ATOM 1537 N ASP A 105 20.845 10.012 14.572 1.00 0.00 N ATOM 1538 CA ASP A 105 19.400 10.177 14.492 1.00 0.00 C ATOM 1539 C ASP A 105 18.799 8.787 14.440 1.00 0.00 C ATOM 1540 O ASP A 105 18.234 8.324 15.457 1.00 0.00 O ATOM 1541 CB ASP A 105 19.081 10.994 13.239 1.00 0.00 C ATOM 1542 CG ASP A 105 17.582 11.199 13.059 1.00 0.00 C ATOM 1543 OD1 ASP A 105 17.083 12.246 13.540 1.00 0.00 O ATOM 1544 OD2 ASP A 105 16.944 10.443 12.297 1.00 0.00 O ATOM 0 H ASP A 105 21.204 9.491 13.772 1.00 0.00 H new ATOM 0 HA ASP A 105 18.985 10.709 15.348 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.575 11.964 13.303 1.00 0.00 H new ATOM 0 HB3 ASP A 105 19.486 10.487 12.363 1.00 0.00 H new TER 1549 ASP A 105