USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 871 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 25 SER OG : rot 41:sc= 0.315 USER MOD Set 1.2: A 94 HIS :FLIP no HE2:sc= -0.575 F(o=-2.4,f=-0.26) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -5.61! C(o=-8.9!,f=-13!) USER MOD Set 2.2: A 49 ASN :FLIP amide:sc= -3.3 F(o=-11!,f=-8.9) USER MOD Set 3.1: A 18 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.2) USER MOD Set 3.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 16 MET CE :methyl 147:sc= -2.58 (180deg=-5!) USER MOD Set 4.2: A 34 SER OG : rot 180:sc= -1.21 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 20:sc= 0.116 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 40:sc= -2.53! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 21:sc= 0.504 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.2) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 63 ASN : amide:sc= -0.0534 X(o=-0.053,f=0) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.2!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc=-0.000503 X(o=-0.0005,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -109:sc= -7.44! (180deg=-14.1!) USER MOD Single : A 100 THR OG1 : rot -67:sc= 1.22 USER MOD Single : A 105 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.58) USER MOD Single : A 106 SER OG : rot 31:sc= 0.242 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc=-0.00994 X(o=-0.0099,f=-0.0023) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.950 -31.077 -7.647 1.00 0.00 N ATOM 2 CA GLY A 1 -36.584 -30.995 -7.160 1.00 0.00 C ATOM 3 C GLY A 1 -35.730 -30.109 -8.070 1.00 0.00 C ATOM 4 O GLY A 1 -35.010 -30.610 -8.932 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.509 -31.683 -7.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 -38.367 -30.125 -7.672 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.953 -31.482 -8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.579 -30.594 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.152 -31.994 -7.109 1.00 0.00 H new ATOM 8 N SER A 2 -35.840 -28.808 -7.847 1.00 0.00 N ATOM 9 CA SER A 2 -35.087 -27.847 -8.636 1.00 0.00 C ATOM 10 C SER A 2 -35.383 -26.426 -8.153 1.00 0.00 C ATOM 11 O SER A 2 -36.319 -25.787 -8.630 1.00 0.00 O ATOM 12 CB SER A 2 -35.414 -27.980 -10.125 1.00 0.00 C ATOM 13 OG SER A 2 -34.244 -28.180 -10.913 1.00 0.00 O ATOM 0 H SER A 2 -36.439 -28.396 -7.131 1.00 0.00 H new ATOM 0 HA SER A 2 -34.025 -28.055 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.098 -28.816 -10.273 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.930 -27.082 -10.464 1.00 0.00 H new ATOM 0 HG SER A 2 -34.495 -28.262 -11.857 1.00 0.00 H new ATOM 19 N SER A 3 -34.568 -25.974 -7.211 1.00 0.00 N ATOM 20 CA SER A 3 -34.731 -24.640 -6.658 1.00 0.00 C ATOM 21 C SER A 3 -33.619 -24.353 -5.647 1.00 0.00 C ATOM 22 O SER A 3 -32.870 -25.254 -5.271 1.00 0.00 O ATOM 23 CB SER A 3 -36.102 -24.482 -5.997 1.00 0.00 C ATOM 24 OG SER A 3 -36.848 -23.409 -6.567 1.00 0.00 O ATOM 0 H SER A 3 -33.793 -26.508 -6.817 1.00 0.00 H new ATOM 0 HA SER A 3 -34.666 -23.921 -7.475 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.664 -25.410 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.972 -24.306 -4.929 1.00 0.00 H new ATOM 0 HG SER A 3 -37.717 -23.341 -6.120 1.00 0.00 H new ATOM 30 N GLY A 4 -33.546 -23.096 -5.236 1.00 0.00 N ATOM 31 CA GLY A 4 -32.538 -22.679 -4.276 1.00 0.00 C ATOM 32 C GLY A 4 -31.436 -21.865 -4.957 1.00 0.00 C ATOM 33 O GLY A 4 -30.521 -22.430 -5.555 1.00 0.00 O ATOM 0 H GLY A 4 -34.169 -22.352 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.003 -22.083 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.103 -23.556 -3.796 1.00 0.00 H new ATOM 37 N SER A 5 -31.560 -20.551 -4.845 1.00 0.00 N ATOM 38 CA SER A 5 -30.586 -19.653 -5.442 1.00 0.00 C ATOM 39 C SER A 5 -30.516 -18.351 -4.642 1.00 0.00 C ATOM 40 O SER A 5 -31.531 -17.686 -4.441 1.00 0.00 O ATOM 41 CB SER A 5 -30.931 -19.360 -6.903 1.00 0.00 C ATOM 42 OG SER A 5 -29.791 -18.936 -7.646 1.00 0.00 O ATOM 0 H SER A 5 -32.321 -20.086 -4.349 1.00 0.00 H new ATOM 0 HA SER A 5 -29.611 -20.140 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.351 -20.255 -7.363 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.700 -18.588 -6.946 1.00 0.00 H new ATOM 0 HG SER A 5 -30.052 -18.760 -8.574 1.00 0.00 H new ATOM 48 N SER A 6 -29.307 -18.025 -4.208 1.00 0.00 N ATOM 49 CA SER A 6 -29.090 -16.814 -3.434 1.00 0.00 C ATOM 50 C SER A 6 -27.603 -16.658 -3.113 1.00 0.00 C ATOM 51 O SER A 6 -26.976 -17.581 -2.595 1.00 0.00 O ATOM 52 CB SER A 6 -29.914 -16.830 -2.145 1.00 0.00 C ATOM 53 OG SER A 6 -29.521 -17.886 -1.273 1.00 0.00 O ATOM 0 H SER A 6 -28.467 -18.579 -4.378 1.00 0.00 H new ATOM 0 HA SER A 6 -29.417 -15.963 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.802 -15.875 -1.631 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.970 -16.937 -2.391 1.00 0.00 H new ATOM 0 HG SER A 6 -28.619 -18.187 -1.509 1.00 0.00 H new ATOM 59 N GLY A 7 -27.081 -15.482 -3.432 1.00 0.00 N ATOM 60 CA GLY A 7 -25.679 -15.193 -3.183 1.00 0.00 C ATOM 61 C GLY A 7 -25.250 -13.910 -3.896 1.00 0.00 C ATOM 62 O GLY A 7 -24.640 -13.962 -4.963 1.00 0.00 O ATOM 0 H GLY A 7 -27.604 -14.719 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.509 -15.092 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.066 -16.026 -3.526 1.00 0.00 H new ATOM 66 N MET A 8 -25.584 -12.787 -3.277 1.00 0.00 N ATOM 67 CA MET A 8 -25.240 -11.492 -3.839 1.00 0.00 C ATOM 68 C MET A 8 -24.525 -10.618 -2.806 1.00 0.00 C ATOM 69 O MET A 8 -25.170 -9.905 -2.038 1.00 0.00 O ATOM 70 CB MET A 8 -26.512 -10.786 -4.312 1.00 0.00 C ATOM 71 CG MET A 8 -26.217 -9.850 -5.486 1.00 0.00 C ATOM 72 SD MET A 8 -27.185 -8.358 -5.336 1.00 0.00 S ATOM 73 CE MET A 8 -26.700 -7.522 -6.837 1.00 0.00 C ATOM 0 H MET A 8 -26.089 -12.747 -2.392 1.00 0.00 H new ATOM 0 HA MET A 8 -24.567 -11.650 -4.682 1.00 0.00 H new ATOM 0 HB2 MET A 8 -27.253 -11.527 -4.611 1.00 0.00 H new ATOM 0 HB3 MET A 8 -26.944 -10.217 -3.489 1.00 0.00 H new ATOM 0 HG2 MET A 8 -25.155 -9.604 -5.508 1.00 0.00 H new ATOM 0 HG3 MET A 8 -26.447 -10.350 -6.427 1.00 0.00 H new ATOM 0 HE1 MET A 8 -27.216 -6.564 -6.903 1.00 0.00 H new ATOM 0 HE2 MET A 8 -25.623 -7.354 -6.828 1.00 0.00 H new ATOM 0 HE3 MET A 8 -26.964 -8.137 -7.697 1.00 0.00 H new ATOM 83 N SER A 9 -23.203 -10.702 -2.821 1.00 0.00 N ATOM 84 CA SER A 9 -22.394 -9.928 -1.895 1.00 0.00 C ATOM 85 C SER A 9 -20.909 -10.192 -2.151 1.00 0.00 C ATOM 86 O SER A 9 -20.378 -11.223 -1.741 1.00 0.00 O ATOM 87 CB SER A 9 -22.749 -10.259 -0.444 1.00 0.00 C ATOM 88 OG SER A 9 -23.202 -9.111 0.270 1.00 0.00 O ATOM 0 H SER A 9 -22.672 -11.294 -3.460 1.00 0.00 H new ATOM 0 HA SER A 9 -22.603 -8.871 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 9 -23.523 -11.026 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 9 -21.875 -10.676 0.057 1.00 0.00 H new ATOM 0 HG SER A 9 -23.420 -9.364 1.191 1.00 0.00 H new ATOM 94 N SER A 10 -20.280 -9.242 -2.828 1.00 0.00 N ATOM 95 CA SER A 10 -18.867 -9.359 -3.144 1.00 0.00 C ATOM 96 C SER A 10 -18.030 -9.183 -1.875 1.00 0.00 C ATOM 97 O SER A 10 -18.304 -8.299 -1.064 1.00 0.00 O ATOM 98 CB SER A 10 -18.451 -8.332 -4.199 1.00 0.00 C ATOM 99 OG SER A 10 -18.143 -7.067 -3.621 1.00 0.00 O ATOM 0 H SER A 10 -20.723 -8.388 -3.166 1.00 0.00 H new ATOM 0 HA SER A 10 -18.690 -10.353 -3.554 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.582 -8.703 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 10 -19.255 -8.213 -4.925 1.00 0.00 H new ATOM 0 HG SER A 10 -17.881 -6.440 -4.327 1.00 0.00 H new ATOM 105 N HIS A 11 -17.028 -10.039 -1.741 1.00 0.00 N ATOM 106 CA HIS A 11 -16.150 -9.990 -0.585 1.00 0.00 C ATOM 107 C HIS A 11 -14.747 -10.448 -0.985 1.00 0.00 C ATOM 108 O HIS A 11 -14.594 -11.424 -1.718 1.00 0.00 O ATOM 109 CB HIS A 11 -16.731 -10.803 0.574 1.00 0.00 C ATOM 110 CG HIS A 11 -16.865 -10.028 1.862 1.00 0.00 C ATOM 111 ND1 HIS A 11 -15.841 -9.255 2.382 1.00 0.00 N ATOM 112 CD2 HIS A 11 -17.912 -9.913 2.729 1.00 0.00 C ATOM 113 CE1 HIS A 11 -16.264 -8.706 3.512 1.00 0.00 C ATOM 114 NE2 HIS A 11 -17.547 -9.115 3.725 1.00 0.00 N ATOM 0 H HIS A 11 -16.805 -10.771 -2.415 1.00 0.00 H new ATOM 0 HA HIS A 11 -16.071 -8.963 -0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.712 -11.179 0.284 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -16.096 -11.672 0.749 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -18.875 -10.390 2.623 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.693 -8.050 4.152 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -18.130 -8.851 4.519 1.00 0.00 H new ATOM 122 N VAL A 12 -13.757 -9.721 -0.487 1.00 0.00 N ATOM 123 CA VAL A 12 -12.371 -10.041 -0.784 1.00 0.00 C ATOM 124 C VAL A 12 -12.104 -11.507 -0.435 1.00 0.00 C ATOM 125 O VAL A 12 -12.540 -11.989 0.609 1.00 0.00 O ATOM 126 CB VAL A 12 -11.442 -9.072 -0.050 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.974 -9.406 -0.325 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.754 -7.622 -0.425 1.00 0.00 C ATOM 0 H VAL A 12 -13.887 -8.912 0.120 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.170 -9.919 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.617 -9.186 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.335 -8.702 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.761 -10.419 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.779 -9.334 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.079 -6.954 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.621 -7.487 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.784 -7.390 -0.155 1.00 0.00 H new ATOM 138 N PRO A 13 -11.369 -12.191 -1.351 1.00 0.00 N ATOM 139 CA PRO A 13 -11.039 -13.592 -1.151 1.00 0.00 C ATOM 140 C PRO A 13 -9.938 -13.750 -0.099 1.00 0.00 C ATOM 141 O PRO A 13 -9.537 -12.777 0.536 1.00 0.00 O ATOM 142 CB PRO A 13 -10.627 -14.100 -2.523 1.00 0.00 C ATOM 143 CG PRO A 13 -10.296 -12.864 -3.343 1.00 0.00 C ATOM 144 CD PRO A 13 -10.836 -11.653 -2.599 1.00 0.00 C ATOM 0 HA PRO A 13 -11.877 -14.171 -0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.765 -14.763 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.432 -14.672 -2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.219 -12.776 -3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.743 -12.933 -4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.050 -10.921 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.611 -11.148 -3.175 1.00 0.00 H new ATOM 152 N ALA A 14 -9.482 -14.985 0.051 1.00 0.00 N ATOM 153 CA ALA A 14 -8.436 -15.284 1.014 1.00 0.00 C ATOM 154 C ALA A 14 -7.137 -15.598 0.269 1.00 0.00 C ATOM 155 O ALA A 14 -6.146 -15.994 0.881 1.00 0.00 O ATOM 156 CB ALA A 14 -8.884 -16.436 1.916 1.00 0.00 C ATOM 0 H ALA A 14 -9.818 -15.790 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.249 -14.423 1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.099 -16.659 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.793 -16.151 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.080 -17.319 1.308 1.00 0.00 H new ATOM 162 N ASP A 15 -7.184 -15.411 -1.042 1.00 0.00 N ATOM 163 CA ASP A 15 -6.023 -15.670 -1.877 1.00 0.00 C ATOM 164 C ASP A 15 -5.442 -14.340 -2.362 1.00 0.00 C ATOM 165 O ASP A 15 -4.270 -14.267 -2.725 1.00 0.00 O ATOM 166 CB ASP A 15 -6.403 -16.496 -3.107 1.00 0.00 C ATOM 167 CG ASP A 15 -5.416 -17.607 -3.470 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.725 -18.078 -2.541 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.374 -17.960 -4.669 1.00 0.00 O ATOM 0 H ASP A 15 -8.008 -15.083 -1.546 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.296 -16.222 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.383 -16.942 -2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.501 -15.825 -3.960 1.00 0.00 H new ATOM 174 N MET A 16 -6.290 -13.322 -2.351 1.00 0.00 N ATOM 175 CA MET A 16 -5.875 -11.999 -2.785 1.00 0.00 C ATOM 176 C MET A 16 -5.817 -11.027 -1.604 1.00 0.00 C ATOM 177 O MET A 16 -6.410 -11.281 -0.557 1.00 0.00 O ATOM 178 CB MET A 16 -6.860 -11.472 -3.831 1.00 0.00 C ATOM 179 CG MET A 16 -6.974 -12.439 -5.012 1.00 0.00 C ATOM 180 SD MET A 16 -6.623 -11.582 -6.538 1.00 0.00 S ATOM 181 CE MET A 16 -5.032 -10.878 -6.139 1.00 0.00 C ATOM 0 H MET A 16 -7.262 -13.387 -2.049 1.00 0.00 H new ATOM 0 HA MET A 16 -4.878 -12.076 -3.218 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.840 -11.332 -3.375 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.531 -10.495 -4.186 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.278 -13.268 -4.882 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.976 -12.866 -5.047 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.418 -10.832 -7.039 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.169 -9.872 -5.741 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.536 -11.499 -5.393 1.00 0.00 H new ATOM 191 N ILE A 17 -5.096 -9.935 -1.813 1.00 0.00 N ATOM 192 CA ILE A 17 -4.952 -8.925 -0.778 1.00 0.00 C ATOM 193 C ILE A 17 -5.582 -7.616 -1.259 1.00 0.00 C ATOM 194 O ILE A 17 -5.260 -7.129 -2.342 1.00 0.00 O ATOM 195 CB ILE A 17 -3.486 -8.786 -0.365 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.895 -10.143 0.024 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.326 -7.752 0.751 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.584 -10.404 -0.721 1.00 0.00 C ATOM 0 H ILE A 17 -4.606 -9.728 -2.683 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.486 -9.225 0.124 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.923 -8.423 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.718 -10.172 1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.610 -10.934 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.274 -7.673 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.684 -6.783 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.906 -8.062 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.185 -11.375 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.769 -10.398 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.863 -9.625 -0.473 1.00 0.00 H new ATOM 210 N ASN A 18 -6.468 -7.083 -0.431 1.00 0.00 N ATOM 211 CA ASN A 18 -7.146 -5.840 -0.758 1.00 0.00 C ATOM 212 C ASN A 18 -6.281 -4.660 -0.311 1.00 0.00 C ATOM 213 O ASN A 18 -5.877 -4.586 0.849 1.00 0.00 O ATOM 214 CB ASN A 18 -8.492 -5.740 -0.038 1.00 0.00 C ATOM 215 CG ASN A 18 -9.558 -5.130 -0.950 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.692 -5.479 -2.111 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.306 -4.201 -0.362 1.00 0.00 N ATOM 0 H ASN A 18 -6.732 -7.489 0.466 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.312 -5.820 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.810 -6.731 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.384 -5.131 0.859 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.045 -3.734 -0.887 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.141 -3.956 0.614 1.00 0.00 H new ATOM 224 N LEU A 19 -6.022 -3.766 -1.254 1.00 0.00 N ATOM 225 CA LEU A 19 -5.213 -2.593 -0.971 1.00 0.00 C ATOM 226 C LEU A 19 -6.047 -1.333 -1.214 1.00 0.00 C ATOM 227 O LEU A 19 -6.786 -1.253 -2.193 1.00 0.00 O ATOM 228 CB LEU A 19 -3.912 -2.633 -1.774 1.00 0.00 C ATOM 229 CG LEU A 19 -2.768 -3.442 -1.159 1.00 0.00 C ATOM 230 CD1 LEU A 19 -1.988 -2.604 -0.145 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.286 -4.745 -0.547 1.00 0.00 C ATOM 0 H LEU A 19 -6.358 -3.831 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.913 -2.581 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.130 -3.042 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.568 -1.609 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.074 -3.713 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.181 -3.202 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.569 -1.729 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.657 -2.283 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.453 -5.301 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.012 -4.517 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.763 -5.346 -1.321 1.00 0.00 H new ATOM 243 N ARG A 20 -5.899 -0.380 -0.305 1.00 0.00 N ATOM 244 CA ARG A 20 -6.629 0.872 -0.408 1.00 0.00 C ATOM 245 C ARG A 20 -5.723 1.970 -0.966 1.00 0.00 C ATOM 246 O ARG A 20 -4.816 2.440 -0.281 1.00 0.00 O ATOM 247 CB ARG A 20 -7.168 1.309 0.956 1.00 0.00 C ATOM 248 CG ARG A 20 -7.560 2.788 0.942 1.00 0.00 C ATOM 249 CD ARG A 20 -8.734 3.053 1.887 1.00 0.00 C ATOM 250 NE ARG A 20 -10.010 2.735 1.209 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.205 2.742 1.816 1.00 0.00 C ATOM 252 NH1 ARG A 20 -11.294 3.050 3.117 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.311 2.440 1.122 1.00 0.00 N ATOM 0 H ARG A 20 -5.284 -0.450 0.506 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.469 0.711 -1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.034 0.702 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.412 1.137 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.706 3.397 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.829 3.087 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.630 2.448 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.730 4.097 2.202 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.978 2.496 0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.452 3.279 3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.203 3.055 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.243 2.205 0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.220 2.445 1.584 1.00 0.00 H new ATOM 267 N LEU A 21 -5.999 2.347 -2.206 1.00 0.00 N ATOM 268 CA LEU A 21 -5.220 3.382 -2.865 1.00 0.00 C ATOM 269 C LEU A 21 -5.887 4.740 -2.638 1.00 0.00 C ATOM 270 O LEU A 21 -6.941 5.020 -3.206 1.00 0.00 O ATOM 271 CB LEU A 21 -5.012 3.038 -4.341 1.00 0.00 C ATOM 272 CG LEU A 21 -4.088 1.853 -4.631 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.628 2.216 -4.351 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.529 0.611 -3.854 1.00 0.00 C ATOM 0 H LEU A 21 -6.751 1.954 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.222 3.441 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.985 2.831 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.611 3.917 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.163 1.612 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.992 1.357 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.333 3.053 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.517 2.497 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.856 -0.216 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.502 0.822 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.544 0.341 -4.145 1.00 0.00 H new ATOM 286 N ILE A 22 -5.246 5.546 -1.805 1.00 0.00 N ATOM 287 CA ILE A 22 -5.764 6.868 -1.496 1.00 0.00 C ATOM 288 C ILE A 22 -4.936 7.922 -2.235 1.00 0.00 C ATOM 289 O ILE A 22 -3.738 7.741 -2.443 1.00 0.00 O ATOM 290 CB ILE A 22 -5.819 7.081 0.018 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.502 5.901 0.713 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.488 8.414 0.361 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.891 5.649 2.093 1.00 0.00 C ATOM 0 H ILE A 22 -4.373 5.309 -1.334 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.791 6.966 -1.847 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.797 7.128 0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.568 6.102 0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.403 5.006 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.514 8.540 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.922 9.231 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.506 8.422 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.394 4.805 2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.830 5.424 1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.013 6.537 2.713 1.00 0.00 H new ATOM 305 N LEU A 23 -5.609 8.999 -2.612 1.00 0.00 N ATOM 306 CA LEU A 23 -4.952 10.081 -3.324 1.00 0.00 C ATOM 307 C LEU A 23 -4.425 11.103 -2.315 1.00 0.00 C ATOM 308 O LEU A 23 -3.224 11.164 -2.057 1.00 0.00 O ATOM 309 CB LEU A 23 -5.890 10.680 -4.374 1.00 0.00 C ATOM 310 CG LEU A 23 -5.364 10.699 -5.811 1.00 0.00 C ATOM 311 CD1 LEU A 23 -4.091 11.542 -5.918 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.156 9.278 -6.337 1.00 0.00 C ATOM 0 H LEU A 23 -6.603 9.145 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.091 9.705 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.825 10.121 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.125 11.703 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.116 11.170 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.738 11.539 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.306 12.566 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.321 11.123 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.782 9.320 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.433 8.759 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.104 8.741 -6.319 1.00 0.00 H new ATOM 324 N VAL A 24 -5.349 11.881 -1.771 1.00 0.00 N ATOM 325 CA VAL A 24 -4.993 12.898 -0.796 1.00 0.00 C ATOM 326 C VAL A 24 -5.791 12.667 0.489 1.00 0.00 C ATOM 327 O VAL A 24 -6.700 13.433 0.805 1.00 0.00 O ATOM 328 CB VAL A 24 -5.207 14.291 -1.391 1.00 0.00 C ATOM 329 CG1 VAL A 24 -4.226 14.555 -2.535 1.00 0.00 C ATOM 330 CG2 VAL A 24 -6.653 14.473 -1.855 1.00 0.00 C ATOM 0 H VAL A 24 -6.344 11.828 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.936 12.828 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.013 15.023 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.399 15.552 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.204 14.488 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.374 13.813 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.778 15.472 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.887 13.729 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.326 14.349 -1.006 1.00 0.00 H new ATOM 340 N SER A 25 -5.421 11.609 1.195 1.00 0.00 N ATOM 341 CA SER A 25 -6.091 11.268 2.439 1.00 0.00 C ATOM 342 C SER A 25 -7.603 11.449 2.286 1.00 0.00 C ATOM 343 O SER A 25 -8.296 11.757 3.254 1.00 0.00 O ATOM 344 CB SER A 25 -5.569 12.121 3.597 1.00 0.00 C ATOM 345 OG SER A 25 -4.888 11.337 4.573 1.00 0.00 O ATOM 0 H SER A 25 -4.666 10.976 0.930 1.00 0.00 H new ATOM 0 HA SER A 25 -5.878 10.224 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.894 12.884 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.403 12.642 4.068 1.00 0.00 H new ATOM 0 HG SER A 25 -4.332 10.666 4.124 1.00 0.00 H new ATOM 351 N GLY A 26 -8.069 11.250 1.062 1.00 0.00 N ATOM 352 CA GLY A 26 -9.486 11.388 0.769 1.00 0.00 C ATOM 353 C GLY A 26 -9.954 10.300 -0.200 1.00 0.00 C ATOM 354 O GLY A 26 -9.779 9.111 0.064 1.00 0.00 O ATOM 0 H GLY A 26 -7.491 10.994 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.060 11.328 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.678 12.371 0.338 1.00 0.00 H new ATOM 358 N LYS A 27 -10.539 10.746 -1.302 1.00 0.00 N ATOM 359 CA LYS A 27 -11.033 9.826 -2.312 1.00 0.00 C ATOM 360 C LYS A 27 -10.043 8.670 -2.471 1.00 0.00 C ATOM 361 O LYS A 27 -8.845 8.893 -2.639 1.00 0.00 O ATOM 362 CB LYS A 27 -11.325 10.569 -3.617 1.00 0.00 C ATOM 363 CG LYS A 27 -12.631 11.359 -3.517 1.00 0.00 C ATOM 364 CD LYS A 27 -12.698 12.446 -4.593 1.00 0.00 C ATOM 365 CE LYS A 27 -13.554 13.626 -4.128 1.00 0.00 C ATOM 366 NZ LYS A 27 -14.430 14.095 -5.224 1.00 0.00 N ATOM 0 H LYS A 27 -10.682 11.733 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.983 9.392 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.502 11.247 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.389 9.856 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.479 10.682 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.710 11.814 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.692 12.793 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.114 12.029 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.160 13.328 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.911 14.440 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.004 14.896 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.846 14.398 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.057 13.321 -5.523 1.00 0.00 H new ATOM 380 N THR A 28 -10.580 7.460 -2.412 1.00 0.00 N ATOM 381 CA THR A 28 -9.759 6.269 -2.547 1.00 0.00 C ATOM 382 C THR A 28 -10.547 5.154 -3.236 1.00 0.00 C ATOM 383 O THR A 28 -11.770 5.227 -3.342 1.00 0.00 O ATOM 384 CB THR A 28 -9.252 5.885 -1.156 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.459 4.723 -1.384 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.374 5.395 -0.238 1.00 0.00 C ATOM 0 H THR A 28 -11.574 7.279 -2.272 1.00 0.00 H new ATOM 0 HA THR A 28 -8.894 6.454 -3.184 1.00 0.00 H new ATOM 0 HB THR A 28 -8.759 6.744 -0.700 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.946 4.834 -2.212 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.960 5.136 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.117 6.184 -0.118 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.846 4.516 -0.677 1.00 0.00 H new ATOM 394 N LYS A 29 -9.813 4.147 -3.687 1.00 0.00 N ATOM 395 CA LYS A 29 -10.428 3.017 -4.364 1.00 0.00 C ATOM 396 C LYS A 29 -9.751 1.724 -3.906 1.00 0.00 C ATOM 397 O LYS A 29 -8.543 1.700 -3.674 1.00 0.00 O ATOM 398 CB LYS A 29 -10.402 3.222 -5.880 1.00 0.00 C ATOM 399 CG LYS A 29 -11.717 2.769 -6.517 1.00 0.00 C ATOM 400 CD LYS A 29 -11.551 1.419 -7.218 1.00 0.00 C ATOM 401 CE LYS A 29 -12.161 1.451 -8.621 1.00 0.00 C ATOM 402 NZ LYS A 29 -13.589 1.066 -8.573 1.00 0.00 N ATOM 0 H LYS A 29 -8.799 4.090 -3.597 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.481 2.938 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.228 4.274 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.573 2.662 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.489 2.692 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.054 3.517 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.493 1.167 -7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.029 0.637 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.062 2.450 -9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.617 0.771 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.988 1.093 -9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.676 0.104 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.107 1.731 -7.964 1.00 0.00 H new ATOM 416 N GLU A 30 -10.559 0.680 -3.788 1.00 0.00 N ATOM 417 CA GLU A 30 -10.053 -0.614 -3.362 1.00 0.00 C ATOM 418 C GLU A 30 -9.534 -1.403 -4.565 1.00 0.00 C ATOM 419 O GLU A 30 -10.140 -1.381 -5.635 1.00 0.00 O ATOM 420 CB GLU A 30 -11.127 -1.402 -2.611 1.00 0.00 C ATOM 421 CG GLU A 30 -11.706 -0.579 -1.458 1.00 0.00 C ATOM 422 CD GLU A 30 -13.071 -1.122 -1.028 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.144 -2.347 -0.788 1.00 0.00 O ATOM 424 OE2 GLU A 30 -14.009 -0.301 -0.949 1.00 0.00 O ATOM 0 H GLU A 30 -11.560 0.704 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.223 -0.450 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.925 -1.683 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.700 -2.327 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.020 -0.599 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.805 0.463 -1.764 1.00 0.00 H new ATOM 431 N PHE A 31 -8.417 -2.082 -4.350 1.00 0.00 N ATOM 432 CA PHE A 31 -7.809 -2.877 -5.404 1.00 0.00 C ATOM 433 C PHE A 31 -7.545 -4.307 -4.928 1.00 0.00 C ATOM 434 O PHE A 31 -7.828 -4.646 -3.780 1.00 0.00 O ATOM 435 CB PHE A 31 -6.475 -2.214 -5.752 1.00 0.00 C ATOM 436 CG PHE A 31 -6.565 -1.197 -6.892 1.00 0.00 C ATOM 437 CD1 PHE A 31 -6.768 -1.622 -8.168 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.442 0.132 -6.629 1.00 0.00 C ATOM 439 CE1 PHE A 31 -6.851 -0.678 -9.226 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.525 1.075 -7.687 1.00 0.00 C ATOM 441 CZ PHE A 31 -6.728 0.651 -8.963 1.00 0.00 C ATOM 0 H PHE A 31 -7.917 -2.098 -3.461 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.476 -2.926 -6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.086 -1.716 -4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.757 -2.987 -6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.866 -2.677 -8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.281 0.470 -5.616 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.012 -1.015 -10.239 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.427 2.130 -7.478 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.792 1.369 -9.767 1.00 0.00 H new ATOM 451 N LEU A 32 -7.005 -5.108 -5.835 1.00 0.00 N ATOM 452 CA LEU A 32 -6.699 -6.494 -5.523 1.00 0.00 C ATOM 453 C LEU A 32 -5.289 -6.824 -6.016 1.00 0.00 C ATOM 454 O LEU A 32 -4.933 -6.507 -7.150 1.00 0.00 O ATOM 455 CB LEU A 32 -7.780 -7.420 -6.085 1.00 0.00 C ATOM 456 CG LEU A 32 -9.049 -7.559 -5.243 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.298 -7.553 -6.127 1.00 0.00 C ATOM 458 CD2 LEU A 32 -8.983 -8.801 -4.352 1.00 0.00 C ATOM 0 H LEU A 32 -6.771 -4.824 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.705 -6.652 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.062 -7.058 -7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.347 -8.411 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.117 -6.693 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.186 -7.653 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.347 -6.615 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.251 -8.386 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.898 -8.876 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.878 -9.690 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.127 -8.723 -3.682 1.00 0.00 H new ATOM 470 N PHE A 33 -4.523 -7.457 -5.139 1.00 0.00 N ATOM 471 CA PHE A 33 -3.160 -7.833 -5.470 1.00 0.00 C ATOM 472 C PHE A 33 -2.805 -9.194 -4.868 1.00 0.00 C ATOM 473 O PHE A 33 -3.490 -9.676 -3.967 1.00 0.00 O ATOM 474 CB PHE A 33 -2.242 -6.768 -4.866 1.00 0.00 C ATOM 475 CG PHE A 33 -2.478 -5.360 -5.416 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.312 -5.111 -6.743 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.854 -4.356 -4.578 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.532 -3.804 -7.253 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.073 -3.050 -5.089 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.908 -2.801 -6.416 1.00 0.00 C ATOM 0 H PHE A 33 -4.821 -7.719 -4.199 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.046 -7.903 -6.552 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.382 -6.753 -3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.205 -7.050 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.013 -5.907 -7.409 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.986 -4.553 -3.524 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.400 -3.607 -8.307 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.371 -2.253 -4.424 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.076 -1.807 -6.804 1.00 0.00 H new ATOM 490 N SER A 34 -1.736 -9.776 -5.391 1.00 0.00 N ATOM 491 CA SER A 34 -1.282 -11.073 -4.916 1.00 0.00 C ATOM 492 C SER A 34 0.051 -10.923 -4.181 1.00 0.00 C ATOM 493 O SER A 34 0.695 -9.878 -4.261 1.00 0.00 O ATOM 494 CB SER A 34 -1.142 -12.064 -6.073 1.00 0.00 C ATOM 495 OG SER A 34 -1.819 -13.290 -5.811 1.00 0.00 O ATOM 0 H SER A 34 -1.171 -9.374 -6.139 1.00 0.00 H new ATOM 0 HA SER A 34 -2.028 -11.466 -4.225 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.541 -11.617 -6.983 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.086 -12.264 -6.253 1.00 0.00 H new ATOM 0 HG SER A 34 -1.707 -13.895 -6.574 1.00 0.00 H new ATOM 501 N PRO A 35 0.436 -12.012 -3.462 1.00 0.00 N ATOM 502 CA PRO A 35 1.680 -12.012 -2.712 1.00 0.00 C ATOM 503 C PRO A 35 2.883 -12.161 -3.646 1.00 0.00 C ATOM 504 O PRO A 35 4.029 -12.066 -3.209 1.00 0.00 O ATOM 505 CB PRO A 35 1.547 -13.162 -1.728 1.00 0.00 C ATOM 506 CG PRO A 35 0.438 -14.049 -2.271 1.00 0.00 C ATOM 507 CD PRO A 35 -0.302 -13.266 -3.343 1.00 0.00 C ATOM 0 HA PRO A 35 1.853 -11.073 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.483 -13.714 -1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.302 -12.796 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.853 -14.967 -2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.244 -14.340 -1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.318 -13.807 -4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.340 -13.089 -3.059 1.00 0.00 H new ATOM 515 N ASN A 36 2.581 -12.392 -4.915 1.00 0.00 N ATOM 516 CA ASN A 36 3.622 -12.555 -5.915 1.00 0.00 C ATOM 517 C ASN A 36 3.860 -11.219 -6.620 1.00 0.00 C ATOM 518 O ASN A 36 4.949 -10.970 -7.136 1.00 0.00 O ATOM 519 CB ASN A 36 3.215 -13.582 -6.973 1.00 0.00 C ATOM 520 CG ASN A 36 2.711 -14.871 -6.321 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.473 -15.692 -5.837 1.00 0.00 O ATOM 522 ND2 ASN A 36 1.387 -15.003 -6.335 1.00 0.00 N ATOM 0 H ASN A 36 1.629 -12.470 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 36 4.524 -12.898 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.436 -13.164 -7.610 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.067 -13.804 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.952 -15.829 -5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.807 -14.278 -6.757 1.00 0.00 H new ATOM 529 N ASP A 37 2.824 -10.393 -6.620 1.00 0.00 N ATOM 530 CA ASP A 37 2.907 -9.088 -7.253 1.00 0.00 C ATOM 531 C ASP A 37 3.845 -8.191 -6.443 1.00 0.00 C ATOM 532 O ASP A 37 4.010 -8.386 -5.240 1.00 0.00 O ATOM 533 CB ASP A 37 1.535 -8.413 -7.305 1.00 0.00 C ATOM 534 CG ASP A 37 0.530 -9.062 -8.258 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.939 -10.024 -8.945 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.624 -8.583 -8.278 1.00 0.00 O ATOM 0 H ASP A 37 1.922 -10.602 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 37 3.278 -9.229 -8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.111 -8.409 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.670 -7.372 -7.598 1.00 0.00 H new ATOM 541 N SER A 38 4.435 -7.227 -7.135 1.00 0.00 N ATOM 542 CA SER A 38 5.352 -6.300 -6.495 1.00 0.00 C ATOM 543 C SER A 38 4.760 -4.889 -6.503 1.00 0.00 C ATOM 544 O SER A 38 3.723 -4.651 -7.120 1.00 0.00 O ATOM 545 CB SER A 38 6.716 -6.308 -7.188 1.00 0.00 C ATOM 546 OG SER A 38 6.628 -5.883 -8.545 1.00 0.00 O ATOM 0 H SER A 38 4.295 -7.068 -8.133 1.00 0.00 H new ATOM 0 HA SER A 38 5.497 -6.620 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.401 -5.655 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.136 -7.313 -7.149 1.00 0.00 H new ATOM 0 HG SER A 38 7.519 -5.900 -8.952 1.00 0.00 H new ATOM 552 N ALA A 39 5.446 -3.990 -5.812 1.00 0.00 N ATOM 553 CA ALA A 39 5.001 -2.609 -5.733 1.00 0.00 C ATOM 554 C ALA A 39 4.752 -2.076 -7.145 1.00 0.00 C ATOM 555 O ALA A 39 3.716 -1.467 -7.409 1.00 0.00 O ATOM 556 CB ALA A 39 6.039 -1.781 -4.972 1.00 0.00 C ATOM 0 H ALA A 39 6.306 -4.191 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 39 4.062 -2.539 -5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.705 -0.745 -4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.158 -2.182 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.994 -1.825 -5.495 1.00 0.00 H new ATOM 562 N SER A 40 5.719 -2.324 -8.016 1.00 0.00 N ATOM 563 CA SER A 40 5.617 -1.877 -9.395 1.00 0.00 C ATOM 564 C SER A 40 4.241 -2.233 -9.961 1.00 0.00 C ATOM 565 O SER A 40 3.501 -1.356 -10.401 1.00 0.00 O ATOM 566 CB SER A 40 6.721 -2.492 -10.256 1.00 0.00 C ATOM 567 OG SER A 40 7.867 -1.649 -10.338 1.00 0.00 O ATOM 0 H SER A 40 6.577 -2.829 -7.794 1.00 0.00 H new ATOM 0 HA SER A 40 5.740 -0.794 -9.413 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.010 -3.457 -9.840 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.337 -2.680 -11.259 1.00 0.00 H new ATOM 0 HG SER A 40 8.550 -2.078 -10.895 1.00 0.00 H new ATOM 573 N ASP A 41 3.940 -3.523 -9.930 1.00 0.00 N ATOM 574 CA ASP A 41 2.667 -4.007 -10.434 1.00 0.00 C ATOM 575 C ASP A 41 1.536 -3.158 -9.850 1.00 0.00 C ATOM 576 O ASP A 41 0.674 -2.677 -10.583 1.00 0.00 O ATOM 577 CB ASP A 41 2.427 -5.461 -10.022 1.00 0.00 C ATOM 578 CG ASP A 41 1.538 -6.265 -10.973 1.00 0.00 C ATOM 579 OD1 ASP A 41 0.435 -5.763 -11.279 1.00 0.00 O ATOM 580 OD2 ASP A 41 1.982 -7.363 -11.373 1.00 0.00 O ATOM 0 H ASP A 41 4.557 -4.248 -9.563 1.00 0.00 H new ATOM 0 HA ASP A 41 2.688 -3.939 -11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.391 -5.963 -9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.975 -5.472 -9.030 1.00 0.00 H new ATOM 585 N ILE A 42 1.576 -3.000 -8.535 1.00 0.00 N ATOM 586 CA ILE A 42 0.566 -2.217 -7.844 1.00 0.00 C ATOM 587 C ILE A 42 0.508 -0.815 -8.454 1.00 0.00 C ATOM 588 O ILE A 42 -0.477 -0.455 -9.099 1.00 0.00 O ATOM 589 CB ILE A 42 0.824 -2.221 -6.336 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.763 -3.642 -5.773 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.137 -1.275 -5.613 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.325 -3.693 -4.351 1.00 0.00 C ATOM 0 H ILE A 42 2.292 -3.401 -7.930 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.419 -2.664 -7.977 1.00 0.00 H new ATOM 0 HB ILE A 42 1.834 -1.849 -6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.269 -3.993 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.329 -4.316 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.068 -1.297 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.000 -0.261 -5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.164 -1.593 -5.792 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.270 -4.714 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.364 -3.365 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.742 -3.036 -3.705 1.00 0.00 H new ATOM 604 N ALA A 43 1.574 -0.062 -8.230 1.00 0.00 N ATOM 605 CA ALA A 43 1.656 1.293 -8.750 1.00 0.00 C ATOM 606 C ALA A 43 1.188 1.305 -10.206 1.00 0.00 C ATOM 607 O ALA A 43 0.213 1.975 -10.543 1.00 0.00 O ATOM 608 CB ALA A 43 3.086 1.814 -8.593 1.00 0.00 C ATOM 0 H ALA A 43 2.389 -0.364 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 43 1.002 1.960 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.148 2.830 -8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.360 1.813 -7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.770 1.171 -9.146 1.00 0.00 H new ATOM 614 N LYS A 44 1.904 0.555 -11.031 1.00 0.00 N ATOM 615 CA LYS A 44 1.574 0.471 -12.443 1.00 0.00 C ATOM 616 C LYS A 44 0.070 0.238 -12.598 1.00 0.00 C ATOM 617 O LYS A 44 -0.629 1.049 -13.204 1.00 0.00 O ATOM 618 CB LYS A 44 2.435 -0.589 -13.133 1.00 0.00 C ATOM 619 CG LYS A 44 3.795 -0.014 -13.536 1.00 0.00 C ATOM 620 CD LYS A 44 3.822 0.334 -15.026 1.00 0.00 C ATOM 621 CE LYS A 44 3.617 1.834 -15.242 1.00 0.00 C ATOM 622 NZ LYS A 44 2.871 2.080 -16.497 1.00 0.00 N ATOM 0 H LYS A 44 2.712 -0.000 -10.748 1.00 0.00 H new ATOM 0 HA LYS A 44 1.805 1.411 -12.944 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.579 -1.438 -12.464 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.918 -0.964 -14.017 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.006 0.878 -12.946 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.580 -0.737 -13.313 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.775 0.028 -15.457 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.043 -0.222 -15.547 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.071 2.258 -14.399 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.583 2.337 -15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.740 3.103 -16.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.406 1.693 -17.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.942 1.616 -16.445 1.00 0.00 H new ATOM 636 N HIS A 45 -0.384 -0.875 -12.040 1.00 0.00 N ATOM 637 CA HIS A 45 -1.793 -1.226 -12.109 1.00 0.00 C ATOM 638 C HIS A 45 -2.644 0.023 -11.872 1.00 0.00 C ATOM 639 O HIS A 45 -3.456 0.394 -12.718 1.00 0.00 O ATOM 640 CB HIS A 45 -2.119 -2.359 -11.134 1.00 0.00 C ATOM 641 CG HIS A 45 -3.576 -2.754 -11.117 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.069 -3.831 -11.834 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.640 -2.207 -10.463 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.373 -3.917 -11.614 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.725 -2.910 -10.765 1.00 0.00 N ATOM 0 H HIS A 45 0.199 -1.545 -11.538 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.030 -1.602 -13.104 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.520 -3.232 -11.393 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.823 -2.056 -10.129 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.606 -1.347 -9.810 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.040 -4.655 -12.034 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.667 -2.727 -10.419 1.00 0.00 H new ATOM 653 N VAL A 46 -2.429 0.637 -10.718 1.00 0.00 N ATOM 654 CA VAL A 46 -3.167 1.836 -10.359 1.00 0.00 C ATOM 655 C VAL A 46 -3.206 2.784 -11.560 1.00 0.00 C ATOM 656 O VAL A 46 -4.274 3.253 -11.951 1.00 0.00 O ATOM 657 CB VAL A 46 -2.552 2.476 -9.113 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.439 3.604 -8.581 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.292 1.427 -8.030 1.00 0.00 C ATOM 0 H VAL A 46 -1.754 0.327 -10.019 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.198 1.588 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.593 2.909 -9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.979 4.042 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.552 4.370 -9.348 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.419 3.204 -8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.855 1.908 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.232 0.952 -7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.604 0.673 -8.412 1.00 0.00 H new ATOM 669 N TYR A 47 -2.028 3.038 -12.111 1.00 0.00 N ATOM 670 CA TYR A 47 -1.914 3.921 -13.259 1.00 0.00 C ATOM 671 C TYR A 47 -2.754 3.409 -14.431 1.00 0.00 C ATOM 672 O TYR A 47 -3.369 4.196 -15.150 1.00 0.00 O ATOM 673 CB TYR A 47 -0.438 3.904 -13.660 1.00 0.00 C ATOM 674 CG TYR A 47 0.027 5.171 -14.381 1.00 0.00 C ATOM 675 CD1 TYR A 47 -0.620 5.589 -15.527 1.00 0.00 C ATOM 676 CD2 TYR A 47 1.091 5.896 -13.886 1.00 0.00 C ATOM 677 CE1 TYR A 47 -0.183 6.782 -16.205 1.00 0.00 C ATOM 678 CE2 TYR A 47 1.528 7.088 -14.564 1.00 0.00 C ATOM 679 CZ TYR A 47 0.870 7.472 -15.690 1.00 0.00 C ATOM 680 OH TYR A 47 1.283 8.599 -16.331 1.00 0.00 O ATOM 0 H TYR A 47 -1.144 2.648 -11.784 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.268 4.921 -13.009 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.169 3.764 -12.766 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.258 3.044 -14.305 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.453 5.022 -15.915 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.596 5.569 -12.989 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.680 7.121 -17.102 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.360 7.664 -14.187 1.00 0.00 H new ATOM 0 HH TYR A 47 0.558 8.938 -16.896 1.00 0.00 H new ATOM 690 N ASP A 48 -2.754 2.093 -14.587 1.00 0.00 N ATOM 691 CA ASP A 48 -3.509 1.467 -15.659 1.00 0.00 C ATOM 692 C ASP A 48 -4.829 0.931 -15.102 1.00 0.00 C ATOM 693 O ASP A 48 -5.300 -0.126 -15.518 1.00 0.00 O ATOM 694 CB ASP A 48 -2.738 0.290 -16.260 1.00 0.00 C ATOM 695 CG ASP A 48 -1.643 0.676 -17.257 1.00 0.00 C ATOM 696 OD1 ASP A 48 -0.600 1.181 -16.787 1.00 0.00 O ATOM 697 OD2 ASP A 48 -1.873 0.458 -18.466 1.00 0.00 O ATOM 0 H ASP A 48 -2.243 1.443 -13.989 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.684 2.217 -16.431 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.285 -0.281 -15.449 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.446 -0.372 -16.759 1.00 0.00 H new ATOM 702 N ASN A 49 -5.391 1.686 -14.169 1.00 0.00 N ATOM 703 CA ASN A 49 -6.648 1.301 -13.550 1.00 0.00 C ATOM 704 C ASN A 49 -7.301 2.533 -12.922 1.00 0.00 C ATOM 705 O ASN A 49 -6.664 3.256 -12.156 1.00 0.00 O ATOM 706 CB ASN A 49 -6.424 0.268 -12.444 1.00 0.00 C ATOM 707 CG ASN A 49 -6.351 -1.147 -13.021 1.00 0.00 C ATOM 708 OD1 ASN A 49 -5.138 -1.500 -13.435 1.00 0.00 O flip ATOM 709 ND2 ASN A 49 -7.331 -1.870 -13.085 1.00 0.00 N flip ATOM 0 H ASN A 49 -4.998 2.563 -13.827 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.286 0.870 -14.322 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.501 0.495 -11.911 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.234 0.327 -11.717 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.234 -1.536 -12.749 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.248 -2.809 -13.475 1.00 0.00 H new ATOM 716 N TRP A 50 -8.564 2.736 -13.268 1.00 0.00 N ATOM 717 CA TRP A 50 -9.310 3.869 -12.747 1.00 0.00 C ATOM 718 C TRP A 50 -8.578 5.147 -13.160 1.00 0.00 C ATOM 719 O TRP A 50 -7.653 5.585 -12.478 1.00 0.00 O ATOM 720 CB TRP A 50 -9.500 3.751 -11.233 1.00 0.00 C ATOM 721 CG TRP A 50 -9.199 5.040 -10.466 1.00 0.00 C ATOM 722 CD1 TRP A 50 -9.756 6.247 -10.631 1.00 0.00 C ATOM 723 CD2 TRP A 50 -8.241 5.202 -9.399 1.00 0.00 C ATOM 724 NE1 TRP A 50 -9.229 7.172 -9.753 1.00 0.00 N ATOM 725 CE2 TRP A 50 -8.278 6.516 -8.980 1.00 0.00 C ATOM 726 CE3 TRP A 50 -7.371 4.269 -8.808 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.469 7.016 -7.952 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -6.569 4.785 -7.783 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.595 6.105 -7.349 1.00 0.00 C ATOM 0 H TRP A 50 -9.089 2.135 -13.903 1.00 0.00 H new ATOM 0 HA TRP A 50 -10.316 3.894 -13.165 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -10.527 3.450 -11.028 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -8.855 2.957 -10.857 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -10.522 6.468 -11.360 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.489 8.156 -9.684 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -7.325 3.236 -9.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.517 8.049 -7.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -5.882 4.110 -7.295 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.943 6.426 -6.550 1.00 0.00 H new ATOM 740 N PRO A 51 -9.032 5.725 -14.304 1.00 0.00 N ATOM 741 CA PRO A 51 -8.431 6.945 -14.816 1.00 0.00 C ATOM 742 C PRO A 51 -8.864 8.158 -13.991 1.00 0.00 C ATOM 743 O PRO A 51 -9.933 8.150 -13.383 1.00 0.00 O ATOM 744 CB PRO A 51 -8.876 7.024 -16.267 1.00 0.00 C ATOM 745 CG PRO A 51 -10.080 6.103 -16.385 1.00 0.00 C ATOM 746 CD PRO A 51 -10.125 5.234 -15.138 1.00 0.00 C ATOM 0 HA PRO A 51 -7.343 6.939 -14.747 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.138 8.046 -16.540 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.077 6.710 -16.938 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.997 6.684 -16.479 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.001 5.484 -17.279 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.084 5.324 -14.627 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.992 4.181 -15.385 1.00 0.00 H new ATOM 754 N MET A 52 -8.011 9.172 -13.996 1.00 0.00 N ATOM 755 CA MET A 52 -8.292 10.390 -13.255 1.00 0.00 C ATOM 756 C MET A 52 -7.174 11.417 -13.444 1.00 0.00 C ATOM 757 O MET A 52 -7.439 12.580 -13.743 1.00 0.00 O ATOM 758 CB MET A 52 -8.438 10.061 -11.768 1.00 0.00 C ATOM 759 CG MET A 52 -8.833 11.304 -10.968 1.00 0.00 C ATOM 760 SD MET A 52 -8.582 11.014 -9.225 1.00 0.00 S ATOM 761 CE MET A 52 -9.928 11.974 -8.553 1.00 0.00 C ATOM 0 H MET A 52 -7.125 9.175 -14.501 1.00 0.00 H new ATOM 0 HA MET A 52 -9.220 10.818 -13.634 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.191 9.284 -11.636 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.498 9.662 -11.386 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.239 12.159 -11.292 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.878 11.551 -11.157 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.919 11.902 -7.465 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.814 13.017 -8.849 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.874 11.590 -8.934 1.00 0.00 H new ATOM 771 N ASP A 53 -5.948 10.950 -13.260 1.00 0.00 N ATOM 772 CA ASP A 53 -4.788 11.813 -13.407 1.00 0.00 C ATOM 773 C ASP A 53 -4.940 13.025 -12.485 1.00 0.00 C ATOM 774 O ASP A 53 -5.633 13.983 -12.823 1.00 0.00 O ATOM 775 CB ASP A 53 -4.660 12.325 -14.843 1.00 0.00 C ATOM 776 CG ASP A 53 -4.812 11.255 -15.926 1.00 0.00 C ATOM 777 OD1 ASP A 53 -4.449 10.095 -15.633 1.00 0.00 O ATOM 778 OD2 ASP A 53 -5.286 11.622 -17.023 1.00 0.00 O ATOM 0 H ASP A 53 -5.732 9.985 -13.010 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.902 11.233 -13.151 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.413 13.096 -15.007 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.686 12.801 -14.958 1.00 0.00 H new ATOM 783 N TRP A 54 -4.282 12.942 -11.338 1.00 0.00 N ATOM 784 CA TRP A 54 -4.336 14.019 -10.365 1.00 0.00 C ATOM 785 C TRP A 54 -4.183 15.343 -11.116 1.00 0.00 C ATOM 786 O TRP A 54 -5.034 16.224 -11.008 1.00 0.00 O ATOM 787 CB TRP A 54 -3.280 13.826 -9.274 1.00 0.00 C ATOM 788 CG TRP A 54 -1.994 13.159 -9.764 1.00 0.00 C ATOM 789 CD1 TRP A 54 -0.941 13.735 -10.361 1.00 0.00 C ATOM 790 CD2 TRP A 54 -1.664 11.757 -9.674 1.00 0.00 C ATOM 791 NE1 TRP A 54 0.039 12.811 -10.661 1.00 0.00 N ATOM 792 CE2 TRP A 54 -0.415 11.570 -10.231 1.00 0.00 C ATOM 793 CE3 TRP A 54 -2.396 10.682 -9.141 1.00 0.00 C ATOM 794 CZ2 TRP A 54 0.211 10.320 -10.307 1.00 0.00 C ATOM 795 CZ3 TRP A 54 -1.757 9.439 -9.225 1.00 0.00 C ATOM 796 CH2 TRP A 54 -0.500 9.234 -9.782 1.00 0.00 C ATOM 0 H TRP A 54 -3.709 12.145 -11.061 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.294 14.021 -9.846 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.033 14.798 -8.846 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.707 13.224 -8.472 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.869 14.790 -10.580 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.932 13.003 -11.115 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.375 10.805 -8.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.190 10.200 -10.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.277 8.579 -8.829 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.074 8.242 -9.810 1.00 0.00 H new ATOM 807 N GLU A 55 -3.091 15.441 -11.861 1.00 0.00 N ATOM 808 CA GLU A 55 -2.816 16.642 -12.631 1.00 0.00 C ATOM 809 C GLU A 55 -1.558 16.452 -13.480 1.00 0.00 C ATOM 810 O GLU A 55 -1.625 16.471 -14.708 1.00 0.00 O ATOM 811 CB GLU A 55 -2.680 17.861 -11.715 1.00 0.00 C ATOM 812 CG GLU A 55 -2.622 19.155 -12.530 1.00 0.00 C ATOM 813 CD GLU A 55 -1.925 20.267 -11.743 1.00 0.00 C ATOM 814 OE1 GLU A 55 -0.690 20.162 -11.586 1.00 0.00 O ATOM 815 OE2 GLU A 55 -2.644 21.196 -11.317 1.00 0.00 O ATOM 0 H GLU A 55 -2.387 14.708 -11.947 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.658 16.822 -13.299 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.524 17.898 -11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.778 17.767 -11.110 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.090 18.977 -13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.632 19.469 -12.793 1.00 0.00 H new ATOM 822 N GLU A 56 -0.440 16.272 -12.792 1.00 0.00 N ATOM 823 CA GLU A 56 0.832 16.078 -13.468 1.00 0.00 C ATOM 824 C GLU A 56 0.870 14.706 -14.143 1.00 0.00 C ATOM 825 O GLU A 56 1.457 13.765 -13.612 1.00 0.00 O ATOM 826 CB GLU A 56 2.001 16.244 -12.495 1.00 0.00 C ATOM 827 CG GLU A 56 2.371 17.719 -12.328 1.00 0.00 C ATOM 828 CD GLU A 56 2.059 18.205 -10.911 1.00 0.00 C ATOM 829 OE1 GLU A 56 0.873 18.515 -10.666 1.00 0.00 O ATOM 830 OE2 GLU A 56 3.014 18.256 -10.106 1.00 0.00 O ATOM 0 H GLU A 56 -0.388 16.256 -11.773 1.00 0.00 H new ATOM 0 HA GLU A 56 0.933 16.843 -14.238 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.735 15.820 -11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.864 15.688 -12.860 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.431 17.858 -12.539 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.821 18.320 -13.052 1.00 0.00 H new ATOM 837 N GLU A 57 0.237 14.635 -15.305 1.00 0.00 N ATOM 838 CA GLU A 57 0.191 13.394 -16.058 1.00 0.00 C ATOM 839 C GLU A 57 1.357 13.330 -17.048 1.00 0.00 C ATOM 840 O GLU A 57 1.241 13.797 -18.180 1.00 0.00 O ATOM 841 CB GLU A 57 -1.149 13.239 -16.780 1.00 0.00 C ATOM 842 CG GLU A 57 -1.339 11.806 -17.282 1.00 0.00 C ATOM 843 CD GLU A 57 -0.319 11.467 -18.371 1.00 0.00 C ATOM 844 OE1 GLU A 57 -0.316 12.190 -19.391 1.00 0.00 O ATOM 845 OE2 GLU A 57 0.434 10.493 -18.160 1.00 0.00 O ATOM 0 H GLU A 57 -0.248 15.418 -15.743 1.00 0.00 H new ATOM 0 HA GLU A 57 0.287 12.564 -15.358 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.963 13.502 -16.104 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.196 13.932 -17.620 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.234 11.109 -16.451 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.349 11.685 -17.674 1.00 0.00 H new ATOM 852 N GLN A 58 2.453 12.748 -16.584 1.00 0.00 N ATOM 853 CA GLN A 58 3.639 12.617 -17.414 1.00 0.00 C ATOM 854 C GLN A 58 4.714 11.814 -16.680 1.00 0.00 C ATOM 855 O GLN A 58 5.287 10.880 -17.240 1.00 0.00 O ATOM 856 CB GLN A 58 4.170 13.990 -17.832 1.00 0.00 C ATOM 857 CG GLN A 58 4.469 14.029 -19.332 1.00 0.00 C ATOM 858 CD GLN A 58 5.976 14.061 -19.590 1.00 0.00 C ATOM 859 OE1 GLN A 58 6.782 13.652 -18.770 1.00 0.00 O ATOM 860 NE2 GLN A 58 6.312 14.568 -20.773 1.00 0.00 N ATOM 0 H GLN A 58 2.545 12.362 -15.644 1.00 0.00 H new ATOM 0 HA GLN A 58 3.366 12.078 -18.321 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.438 14.758 -17.583 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.076 14.220 -17.271 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.032 13.156 -19.816 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.002 14.907 -19.777 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.587 14.893 -21.413 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.294 14.632 -21.040 1.00 0.00 H new ATOM 869 N VAL A 59 4.957 12.206 -15.438 1.00 0.00 N ATOM 870 CA VAL A 59 5.954 11.534 -14.622 1.00 0.00 C ATOM 871 C VAL A 59 7.173 11.202 -15.484 1.00 0.00 C ATOM 872 O VAL A 59 7.387 11.818 -16.527 1.00 0.00 O ATOM 873 CB VAL A 59 5.339 10.301 -13.955 1.00 0.00 C ATOM 874 CG1 VAL A 59 4.055 10.666 -13.207 1.00 0.00 C ATOM 875 CG2 VAL A 59 5.082 9.195 -14.980 1.00 0.00 C ATOM 0 H VAL A 59 4.480 12.981 -14.977 1.00 0.00 H new ATOM 0 HA VAL A 59 6.293 12.187 -13.818 1.00 0.00 H new ATOM 0 HB VAL A 59 6.055 9.922 -13.226 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.638 9.772 -12.742 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.280 11.404 -12.437 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.331 11.082 -13.908 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.645 8.330 -14.480 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.394 9.559 -15.743 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.023 8.906 -15.448 1.00 0.00 H new ATOM 885 N SER A 60 7.941 10.228 -15.017 1.00 0.00 N ATOM 886 CA SER A 60 9.133 9.807 -15.732 1.00 0.00 C ATOM 887 C SER A 60 9.124 8.288 -15.915 1.00 0.00 C ATOM 888 O SER A 60 9.178 7.794 -17.040 1.00 0.00 O ATOM 889 CB SER A 60 10.401 10.246 -14.996 1.00 0.00 C ATOM 890 OG SER A 60 11.291 10.963 -15.847 1.00 0.00 O ATOM 0 H SER A 60 7.760 9.719 -14.152 1.00 0.00 H new ATOM 0 HA SER A 60 9.131 10.285 -16.712 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.129 10.872 -14.146 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.910 9.369 -14.596 1.00 0.00 H new ATOM 0 HG SER A 60 12.087 11.227 -15.340 1.00 0.00 H new ATOM 896 N SER A 61 9.056 7.589 -14.791 1.00 0.00 N ATOM 897 CA SER A 61 9.040 6.136 -14.814 1.00 0.00 C ATOM 898 C SER A 61 8.240 5.604 -13.623 1.00 0.00 C ATOM 899 O SER A 61 7.930 6.350 -12.696 1.00 0.00 O ATOM 900 CB SER A 61 10.461 5.569 -14.795 1.00 0.00 C ATOM 901 OG SER A 61 10.775 4.878 -16.001 1.00 0.00 O ATOM 0 H SER A 61 9.011 8.002 -13.859 1.00 0.00 H new ATOM 0 HA SER A 61 8.562 5.813 -15.739 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.173 6.380 -14.646 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.569 4.890 -13.949 1.00 0.00 H new ATOM 0 HG SER A 61 11.691 4.532 -15.951 1.00 0.00 H new ATOM 907 N PRO A 62 7.922 4.283 -13.689 1.00 0.00 N ATOM 908 CA PRO A 62 7.164 3.642 -12.627 1.00 0.00 C ATOM 909 C PRO A 62 8.040 3.405 -11.395 1.00 0.00 C ATOM 910 O PRO A 62 7.528 3.225 -10.291 1.00 0.00 O ATOM 911 CB PRO A 62 6.640 2.354 -13.240 1.00 0.00 C ATOM 912 CG PRO A 62 7.502 2.095 -14.465 1.00 0.00 C ATOM 913 CD PRO A 62 8.273 3.369 -14.771 1.00 0.00 C ATOM 0 HA PRO A 62 6.341 4.259 -12.266 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.709 1.528 -12.532 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.590 2.451 -13.515 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.188 1.268 -14.281 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.882 1.811 -15.315 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.347 3.185 -14.801 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.993 3.778 -15.742 1.00 0.00 H new ATOM 921 N ASN A 63 9.345 3.413 -11.625 1.00 0.00 N ATOM 922 CA ASN A 63 10.296 3.201 -10.548 1.00 0.00 C ATOM 923 C ASN A 63 10.078 4.260 -9.465 1.00 0.00 C ATOM 924 O ASN A 63 9.616 3.946 -8.369 1.00 0.00 O ATOM 925 CB ASN A 63 11.735 3.329 -11.051 1.00 0.00 C ATOM 926 CG ASN A 63 12.079 2.199 -12.023 1.00 0.00 C ATOM 927 OD1 ASN A 63 12.174 1.039 -11.658 1.00 0.00 O ATOM 928 ND2 ASN A 63 12.260 2.601 -13.278 1.00 0.00 N ATOM 0 H ASN A 63 9.766 3.563 -12.542 1.00 0.00 H new ATOM 0 HA ASN A 63 10.140 2.197 -10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 63 11.867 4.291 -11.545 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.423 3.308 -10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.493 1.922 -14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 63 12.165 3.588 -13.516 1.00 0.00 H new ATOM 935 N ILE A 64 10.420 5.492 -9.810 1.00 0.00 N ATOM 936 CA ILE A 64 10.267 6.599 -8.881 1.00 0.00 C ATOM 937 C ILE A 64 8.937 6.456 -8.138 1.00 0.00 C ATOM 938 O ILE A 64 8.842 6.788 -6.958 1.00 0.00 O ATOM 939 CB ILE A 64 10.425 7.936 -9.609 1.00 0.00 C ATOM 940 CG1 ILE A 64 9.524 7.997 -10.844 1.00 0.00 C ATOM 941 CG2 ILE A 64 11.891 8.202 -9.955 1.00 0.00 C ATOM 942 CD1 ILE A 64 9.653 9.347 -11.551 1.00 0.00 C ATOM 0 H ILE A 64 10.803 5.749 -10.720 1.00 0.00 H new ATOM 0 HA ILE A 64 11.056 6.577 -8.129 1.00 0.00 H new ATOM 0 HB ILE A 64 10.104 8.731 -8.937 1.00 0.00 H new ATOM 0 HG12 ILE A 64 9.790 7.195 -11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.487 7.834 -10.550 1.00 0.00 H new ATOM 0 HG21 ILE A 64 11.975 9.158 -10.472 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.481 8.231 -9.039 1.00 0.00 H new ATOM 0 HG23 ILE A 64 12.262 7.407 -10.601 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.002 9.364 -12.425 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.363 10.145 -10.867 1.00 0.00 H new ATOM 0 HD13 ILE A 64 10.686 9.496 -11.865 1.00 0.00 H new ATOM 954 N LEU A 65 7.943 5.962 -8.861 1.00 0.00 N ATOM 955 CA LEU A 65 6.622 5.771 -8.286 1.00 0.00 C ATOM 956 C LEU A 65 6.719 4.800 -7.108 1.00 0.00 C ATOM 957 O LEU A 65 6.769 3.586 -7.302 1.00 0.00 O ATOM 958 CB LEU A 65 5.627 5.335 -9.362 1.00 0.00 C ATOM 959 CG LEU A 65 4.487 6.312 -9.658 1.00 0.00 C ATOM 960 CD1 LEU A 65 4.732 7.059 -10.970 1.00 0.00 C ATOM 961 CD2 LEU A 65 3.135 5.595 -9.650 1.00 0.00 C ATOM 0 H LEU A 65 8.026 5.688 -9.840 1.00 0.00 H new ATOM 0 HA LEU A 65 6.238 6.712 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.177 5.158 -10.287 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.193 4.381 -9.062 1.00 0.00 H new ATOM 0 HG LEU A 65 4.461 7.058 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.907 7.747 -11.157 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.664 7.620 -10.901 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.800 6.343 -11.789 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.342 6.312 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.133 4.814 -10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.966 5.148 -8.671 1.00 0.00 H new ATOM 973 N ARG A 66 6.744 5.371 -5.912 1.00 0.00 N ATOM 974 CA ARG A 66 6.835 4.570 -4.703 1.00 0.00 C ATOM 975 C ARG A 66 5.482 4.531 -3.990 1.00 0.00 C ATOM 976 O ARG A 66 4.681 5.456 -4.119 1.00 0.00 O ATOM 977 CB ARG A 66 7.890 5.132 -3.748 1.00 0.00 C ATOM 978 CG ARG A 66 8.980 4.096 -3.465 1.00 0.00 C ATOM 979 CD ARG A 66 9.775 4.465 -2.211 1.00 0.00 C ATOM 980 NE ARG A 66 11.093 5.020 -2.593 1.00 0.00 N ATOM 981 CZ ARG A 66 11.869 5.744 -1.775 1.00 0.00 C ATOM 982 NH1 ARG A 66 11.464 6.006 -0.525 1.00 0.00 N ATOM 983 NH2 ARG A 66 13.050 6.207 -2.208 1.00 0.00 N ATOM 0 H ARG A 66 6.703 6.378 -5.755 1.00 0.00 H new ATOM 0 HA ARG A 66 7.126 3.561 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.337 6.027 -4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.417 5.432 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.528 3.113 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.653 4.028 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.221 5.195 -1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.910 3.584 -1.584 1.00 0.00 H new ATOM 0 HE ARG A 66 11.432 4.840 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.565 5.654 -0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.055 6.557 0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.358 6.008 -3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.641 6.758 -1.586 1.00 0.00 H new ATOM 997 N LEU A 67 5.268 3.451 -3.253 1.00 0.00 N ATOM 998 CA LEU A 67 4.026 3.279 -2.519 1.00 0.00 C ATOM 999 C LEU A 67 4.287 3.487 -1.026 1.00 0.00 C ATOM 1000 O LEU A 67 5.268 2.976 -0.487 1.00 0.00 O ATOM 1001 CB LEU A 67 3.391 1.927 -2.850 1.00 0.00 C ATOM 1002 CG LEU A 67 3.225 0.959 -1.677 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.037 1.359 -0.799 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.113 -0.485 -2.169 1.00 0.00 C ATOM 0 H LEU A 67 5.934 2.686 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 67 3.297 4.030 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.410 2.107 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.997 1.440 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 67 4.119 1.019 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.942 0.654 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.198 2.362 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.124 1.346 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.996 -1.152 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.248 -0.580 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.016 -0.753 -2.718 1.00 0.00 H new ATOM 1016 N ILE A 68 3.393 4.238 -0.400 1.00 0.00 N ATOM 1017 CA ILE A 68 3.515 4.519 1.021 1.00 0.00 C ATOM 1018 C ILE A 68 2.597 3.578 1.803 1.00 0.00 C ATOM 1019 O ILE A 68 1.477 3.301 1.377 1.00 0.00 O ATOM 1020 CB ILE A 68 3.256 6.001 1.297 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.404 6.866 0.772 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.990 6.243 2.785 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.071 7.441 -0.606 1.00 0.00 C ATOM 0 H ILE A 68 2.581 4.661 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 68 4.533 4.328 1.362 1.00 0.00 H new ATOM 0 HB ILE A 68 2.357 6.297 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.601 7.679 1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.315 6.270 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.809 7.304 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.115 5.672 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.856 5.926 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.903 8.052 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.898 6.626 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.174 8.056 -0.536 1.00 0.00 H new ATOM 1035 N TYR A 69 3.106 3.112 2.934 1.00 0.00 N ATOM 1036 CA TYR A 69 2.346 2.207 3.780 1.00 0.00 C ATOM 1037 C TYR A 69 2.552 2.537 5.260 1.00 0.00 C ATOM 1038 O TYR A 69 3.677 2.506 5.756 1.00 0.00 O ATOM 1039 CB TYR A 69 2.895 0.807 3.501 1.00 0.00 C ATOM 1040 CG TYR A 69 2.220 -0.300 4.315 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.977 -0.085 4.873 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.855 -1.512 4.489 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.342 -1.126 5.639 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.220 -2.554 5.255 1.00 0.00 C ATOM 1045 CZ TYR A 69 0.995 -2.309 5.792 1.00 0.00 C ATOM 1046 OH TYR A 69 0.395 -3.293 6.515 1.00 0.00 O ATOM 0 H TYR A 69 4.035 3.344 3.284 1.00 0.00 H new ATOM 0 HA TYR A 69 1.280 2.288 3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.778 0.587 2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.964 0.798 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.480 0.864 4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.828 -1.680 4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.631 -0.971 6.082 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.706 -3.508 5.399 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.578 -3.211 6.434 1.00 0.00 H new ATOM 1056 N GLN A 70 1.447 2.846 5.924 1.00 0.00 N ATOM 1057 CA GLN A 70 1.493 3.182 7.337 1.00 0.00 C ATOM 1058 C GLN A 70 2.370 4.415 7.562 1.00 0.00 C ATOM 1059 O GLN A 70 2.826 4.661 8.677 1.00 0.00 O ATOM 1060 CB GLN A 70 1.990 1.996 8.166 1.00 0.00 C ATOM 1061 CG GLN A 70 0.820 1.132 8.643 1.00 0.00 C ATOM 1062 CD GLN A 70 0.835 0.983 10.166 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.866 1.058 10.814 1.00 0.00 O ATOM 1064 NE2 GLN A 70 -0.365 0.770 10.700 1.00 0.00 N ATOM 0 H GLN A 70 0.515 2.871 5.510 1.00 0.00 H new ATOM 0 HA GLN A 70 0.481 3.416 7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.674 1.392 7.570 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.553 2.359 9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.121 1.581 8.327 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.876 0.148 8.177 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.188 0.718 10.100 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.462 0.659 11.709 1.00 0.00 H new ATOM 1073 N GLY A 71 2.581 5.156 6.484 1.00 0.00 N ATOM 1074 CA GLY A 71 3.396 6.357 6.550 1.00 0.00 C ATOM 1075 C GLY A 71 4.758 6.132 5.891 1.00 0.00 C ATOM 1076 O GLY A 71 5.326 7.051 5.302 1.00 0.00 O ATOM 0 H GLY A 71 2.202 4.948 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.880 7.179 6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.535 6.649 7.591 1.00 0.00 H new ATOM 1080 N ARG A 72 5.243 4.905 6.012 1.00 0.00 N ATOM 1081 CA ARG A 72 6.528 4.548 5.435 1.00 0.00 C ATOM 1082 C ARG A 72 6.382 4.285 3.935 1.00 0.00 C ATOM 1083 O ARG A 72 5.285 4.387 3.387 1.00 0.00 O ATOM 1084 CB ARG A 72 7.107 3.303 6.110 1.00 0.00 C ATOM 1085 CG ARG A 72 7.941 3.681 7.335 1.00 0.00 C ATOM 1086 CD ARG A 72 9.229 2.857 7.397 1.00 0.00 C ATOM 1087 NE ARG A 72 10.169 3.459 8.369 1.00 0.00 N ATOM 1088 CZ ARG A 72 10.064 3.325 9.698 1.00 0.00 C ATOM 1089 NH1 ARG A 72 9.060 2.608 10.221 1.00 0.00 N ATOM 1090 NH2 ARG A 72 10.963 3.907 10.503 1.00 0.00 N ATOM 0 H ARG A 72 4.769 4.146 6.501 1.00 0.00 H new ATOM 0 HA ARG A 72 7.208 5.385 5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.297 2.637 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.726 2.754 5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.186 4.743 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.357 3.519 8.241 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.001 1.831 7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.691 2.814 6.411 1.00 0.00 H new ATOM 0 HE ARG A 72 10.946 4.011 8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.376 2.165 9.607 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.979 2.506 11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.727 4.452 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.883 3.805 11.515 1.00 0.00 H new ATOM 1104 N PHE A 73 7.503 3.953 3.313 1.00 0.00 N ATOM 1105 CA PHE A 73 7.514 3.675 1.887 1.00 0.00 C ATOM 1106 C PHE A 73 8.033 2.264 1.607 1.00 0.00 C ATOM 1107 O PHE A 73 9.034 1.840 2.184 1.00 0.00 O ATOM 1108 CB PHE A 73 8.459 4.691 1.240 1.00 0.00 C ATOM 1109 CG PHE A 73 8.004 6.144 1.385 1.00 0.00 C ATOM 1110 CD1 PHE A 73 7.991 6.734 2.611 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.611 6.846 0.289 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.569 8.083 2.745 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.189 8.195 0.423 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.176 8.785 1.649 1.00 0.00 C ATOM 0 H PHE A 73 8.411 3.870 3.771 1.00 0.00 H new ATOM 0 HA PHE A 73 6.503 3.747 1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.449 4.585 1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.558 4.456 0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.302 6.176 3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.620 6.377 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.560 8.552 3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.878 8.753 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.854 9.811 1.751 1.00 0.00 H new ATOM 1124 N LEU A 74 7.330 1.574 0.721 1.00 0.00 N ATOM 1125 CA LEU A 74 7.707 0.218 0.358 1.00 0.00 C ATOM 1126 C LEU A 74 8.587 0.256 -0.893 1.00 0.00 C ATOM 1127 O LEU A 74 8.510 1.197 -1.682 1.00 0.00 O ATOM 1128 CB LEU A 74 6.464 -0.662 0.209 1.00 0.00 C ATOM 1129 CG LEU A 74 5.564 -0.765 1.442 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.253 -1.478 1.105 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.299 -1.436 2.604 1.00 0.00 C ATOM 0 H LEU A 74 6.501 1.928 0.244 1.00 0.00 H new ATOM 0 HA LEU A 74 8.299 -0.238 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.869 -0.279 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.785 -1.666 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 74 5.309 0.245 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.631 -1.538 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.724 -0.921 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.468 -2.484 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.636 -1.496 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.604 -2.440 2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.181 -0.850 2.864 1.00 0.00 H new ATOM 1143 N HIS A 75 9.403 -0.778 -1.036 1.00 0.00 N ATOM 1144 CA HIS A 75 10.296 -0.874 -2.178 1.00 0.00 C ATOM 1145 C HIS A 75 9.493 -1.240 -3.428 1.00 0.00 C ATOM 1146 O HIS A 75 8.373 -1.738 -3.327 1.00 0.00 O ATOM 1147 CB HIS A 75 11.434 -1.856 -1.895 1.00 0.00 C ATOM 1148 CG HIS A 75 12.797 -1.351 -2.304 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.434 -1.765 -3.462 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.637 -0.462 -1.700 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.603 -1.147 -3.539 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.728 -0.341 -2.446 1.00 0.00 N ATOM 0 H HIS A 75 9.464 -1.557 -0.380 1.00 0.00 H new ATOM 0 HA HIS A 75 10.765 0.093 -2.361 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.447 -2.084 -0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.232 -2.791 -2.418 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.446 0.056 -0.772 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.330 -1.261 -4.329 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.528 0.256 -2.236 1.00 0.00 H new ATOM 1160 N GLY A 76 10.098 -0.980 -4.577 1.00 0.00 N ATOM 1161 CA GLY A 76 9.454 -1.276 -5.846 1.00 0.00 C ATOM 1162 C GLY A 76 9.576 -2.762 -6.189 1.00 0.00 C ATOM 1163 O GLY A 76 8.779 -3.292 -6.961 1.00 0.00 O ATOM 0 H GLY A 76 11.027 -0.568 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.402 -0.995 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.908 -0.678 -6.636 1.00 0.00 H new ATOM 1167 N ASN A 77 10.582 -3.392 -5.599 1.00 0.00 N ATOM 1168 CA ASN A 77 10.819 -4.807 -5.833 1.00 0.00 C ATOM 1169 C ASN A 77 10.074 -5.625 -4.776 1.00 0.00 C ATOM 1170 O ASN A 77 9.871 -6.826 -4.947 1.00 0.00 O ATOM 1171 CB ASN A 77 12.308 -5.140 -5.728 1.00 0.00 C ATOM 1172 CG ASN A 77 12.809 -5.820 -7.003 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.460 -6.946 -7.316 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.646 -5.075 -7.720 1.00 0.00 N ATOM 0 H ASN A 77 11.242 -2.949 -4.960 1.00 0.00 H new ATOM 0 HA ASN A 77 10.466 -5.048 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.877 -4.227 -5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.479 -5.793 -4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.037 -5.439 -8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.897 -4.139 -7.401 1.00 0.00 H new ATOM 1181 N VAL A 78 9.689 -4.943 -3.708 1.00 0.00 N ATOM 1182 CA VAL A 78 8.972 -5.592 -2.624 1.00 0.00 C ATOM 1183 C VAL A 78 7.677 -6.199 -3.167 1.00 0.00 C ATOM 1184 O VAL A 78 7.105 -5.692 -4.131 1.00 0.00 O ATOM 1185 CB VAL A 78 8.735 -4.599 -1.485 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.577 -5.053 -0.593 1.00 0.00 C ATOM 1187 CG2 VAL A 78 10.010 -4.391 -0.665 1.00 0.00 C ATOM 0 H VAL A 78 9.860 -3.947 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 78 9.564 -6.407 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 78 8.461 -3.641 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.430 -4.329 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.666 -5.126 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.809 -6.028 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.814 -3.681 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.328 -5.343 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.798 -4.001 -1.310 1.00 0.00 H new ATOM 1197 N THR A 79 7.251 -7.277 -2.524 1.00 0.00 N ATOM 1198 CA THR A 79 6.034 -7.959 -2.930 1.00 0.00 C ATOM 1199 C THR A 79 5.206 -8.348 -1.703 1.00 0.00 C ATOM 1200 O THR A 79 5.753 -8.805 -0.701 1.00 0.00 O ATOM 1201 CB THR A 79 6.429 -9.153 -3.801 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.416 -9.833 -3.030 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.172 -8.732 -5.070 1.00 0.00 C ATOM 0 H THR A 79 7.727 -7.695 -1.725 1.00 0.00 H new ATOM 0 HA THR A 79 5.393 -7.306 -3.522 1.00 0.00 H new ATOM 0 HB THR A 79 5.536 -9.715 -4.074 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.727 -10.623 -3.520 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.429 -9.617 -5.652 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.534 -8.079 -5.666 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.083 -8.199 -4.798 1.00 0.00 H new ATOM 1211 N LEU A 80 3.901 -8.153 -1.824 1.00 0.00 N ATOM 1212 CA LEU A 80 2.993 -8.478 -0.737 1.00 0.00 C ATOM 1213 C LEU A 80 3.438 -9.787 -0.080 1.00 0.00 C ATOM 1214 O LEU A 80 3.289 -9.960 1.128 1.00 0.00 O ATOM 1215 CB LEU A 80 1.547 -8.502 -1.237 1.00 0.00 C ATOM 1216 CG LEU A 80 0.953 -7.150 -1.636 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.396 -7.328 -2.335 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.853 -6.217 -0.427 1.00 0.00 C ATOM 0 H LEU A 80 3.451 -7.774 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 80 3.028 -7.707 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.492 -9.169 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.921 -8.936 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 80 1.627 -6.679 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.796 -6.351 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.263 -7.930 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.091 -7.830 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.428 -5.263 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.213 -6.670 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.847 -6.053 -0.011 1.00 0.00 H new ATOM 1230 N GLY A 81 3.976 -10.673 -0.905 1.00 0.00 N ATOM 1231 CA GLY A 81 4.444 -11.960 -0.419 1.00 0.00 C ATOM 1232 C GLY A 81 5.465 -11.783 0.706 1.00 0.00 C ATOM 1233 O GLY A 81 5.328 -12.379 1.773 1.00 0.00 O ATOM 0 H GLY A 81 4.098 -10.525 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.598 -12.546 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.894 -12.520 -1.238 1.00 0.00 H new ATOM 1237 N ALA A 82 6.467 -10.961 0.428 1.00 0.00 N ATOM 1238 CA ALA A 82 7.511 -10.698 1.404 1.00 0.00 C ATOM 1239 C ALA A 82 6.915 -9.937 2.590 1.00 0.00 C ATOM 1240 O ALA A 82 7.487 -9.932 3.679 1.00 0.00 O ATOM 1241 CB ALA A 82 8.654 -9.932 0.735 1.00 0.00 C ATOM 0 H ALA A 82 6.578 -10.469 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 82 7.924 -11.632 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.437 -9.735 1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.062 -10.528 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.278 -8.987 0.342 1.00 0.00 H new ATOM 1247 N LEU A 83 5.774 -9.313 2.338 1.00 0.00 N ATOM 1248 CA LEU A 83 5.094 -8.551 3.372 1.00 0.00 C ATOM 1249 C LEU A 83 4.181 -9.483 4.171 1.00 0.00 C ATOM 1250 O LEU A 83 3.536 -9.057 5.127 1.00 0.00 O ATOM 1251 CB LEU A 83 4.366 -7.352 2.762 1.00 0.00 C ATOM 1252 CG LEU A 83 5.252 -6.294 2.100 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.405 -5.205 1.439 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.254 -5.714 3.100 1.00 0.00 C ATOM 0 H LEU A 83 5.303 -9.319 1.433 1.00 0.00 H new ATOM 0 HA LEU A 83 5.816 -8.134 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.659 -7.721 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.782 -6.869 3.546 1.00 0.00 H new ATOM 0 HG LEU A 83 5.828 -6.776 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.059 -4.466 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.767 -5.653 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.785 -4.719 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.871 -4.965 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.716 -5.251 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.890 -6.512 3.482 1.00 0.00 H new ATOM 1266 N LYS A 84 4.157 -10.739 3.749 1.00 0.00 N ATOM 1267 CA LYS A 84 3.334 -11.736 4.413 1.00 0.00 C ATOM 1268 C LYS A 84 2.079 -11.064 4.972 1.00 0.00 C ATOM 1269 O LYS A 84 1.715 -11.283 6.127 1.00 0.00 O ATOM 1270 CB LYS A 84 4.150 -12.489 5.466 1.00 0.00 C ATOM 1271 CG LYS A 84 4.888 -11.515 6.387 1.00 0.00 C ATOM 1272 CD LYS A 84 3.946 -10.945 7.450 1.00 0.00 C ATOM 1273 CE LYS A 84 4.730 -10.438 8.662 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.808 -10.074 9.761 1.00 0.00 N ATOM 0 H LYS A 84 4.694 -11.089 2.956 1.00 0.00 H new ATOM 0 HA LYS A 84 3.001 -12.491 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.490 -13.125 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.868 -13.145 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.721 -12.026 6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.312 -10.702 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.361 -10.130 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.240 -11.713 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.424 -11.207 9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.328 -9.572 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.357 -9.732 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.163 -9.325 9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.256 -10.909 10.042 1.00 0.00 H new ATOM 1288 N LEU A 85 1.451 -10.259 4.128 1.00 0.00 N ATOM 1289 CA LEU A 85 0.244 -9.553 4.523 1.00 0.00 C ATOM 1290 C LEU A 85 -0.899 -10.558 4.684 1.00 0.00 C ATOM 1291 O LEU A 85 -0.928 -11.584 4.007 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.064 -8.424 3.538 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.057 -7.008 4.117 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.092 -6.828 5.111 1.00 0.00 C ATOM 1295 CD2 LEU A 85 -0.021 -5.960 3.003 1.00 0.00 C ATOM 0 H LEU A 85 1.756 -10.080 3.171 1.00 0.00 H new ATOM 0 HA LEU A 85 0.384 -9.070 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.664 -8.467 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.043 -8.610 3.097 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.986 -6.860 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.074 -5.813 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.980 -7.539 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.041 -7.003 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.017 -4.962 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.879 -6.097 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.900 -6.073 2.368 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.838 -10.217 5.607 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.980 -11.078 5.866 1.00 0.00 C ATOM 1309 C PRO A 86 -4.007 -10.980 4.736 1.00 0.00 C ATOM 1310 O PRO A 86 -4.406 -9.883 4.348 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.526 -10.614 7.206 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.962 -9.220 7.427 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.836 -9.009 6.427 1.00 0.00 C ATOM 0 HA PRO A 86 -2.711 -12.134 5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.616 -10.598 7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.223 -11.289 8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.739 -8.468 7.291 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.592 -9.115 8.447 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.006 -8.119 5.821 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.879 -8.874 6.931 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.405 -12.142 4.239 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.378 -12.201 3.161 1.00 0.00 C ATOM 1323 C PHE A 87 -6.777 -11.843 3.665 1.00 0.00 C ATOM 1324 O PHE A 87 -7.011 -11.789 4.871 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.387 -13.641 2.645 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.049 -14.102 2.064 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.230 -13.208 1.449 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.678 -15.407 2.163 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.988 -13.636 0.910 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.437 -15.836 1.623 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.617 -14.941 1.008 1.00 0.00 C ATOM 0 H PHE A 87 -4.071 -13.050 4.563 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.110 -11.491 2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.666 -14.307 3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.156 -13.737 1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.524 -12.172 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.328 -16.117 2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.338 -12.925 0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.144 -16.873 1.700 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.672 -15.267 0.598 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.671 -11.608 2.716 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.042 -11.258 3.049 1.00 0.00 C ATOM 1343 C GLY A 88 -9.084 -10.089 4.035 1.00 0.00 C ATOM 1344 O GLY A 88 -9.908 -10.072 4.948 1.00 0.00 O ATOM 0 H GLY A 88 -7.473 -11.653 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.584 -10.993 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.547 -12.122 3.481 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.186 -9.139 3.817 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.110 -7.970 4.676 1.00 0.00 C ATOM 1350 C LYS A 89 -8.003 -6.713 3.809 1.00 0.00 C ATOM 1351 O LYS A 89 -7.956 -6.802 2.583 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.972 -8.119 5.686 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.407 -8.971 6.880 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.415 -8.146 8.169 1.00 0.00 C ATOM 1355 CE LYS A 89 -8.157 -8.883 9.286 1.00 0.00 C ATOM 1356 NZ LYS A 89 -8.542 -7.941 10.361 1.00 0.00 N ATOM 0 H LYS A 89 -7.505 -9.155 3.058 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.019 -7.873 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.109 -8.578 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.657 -7.135 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.402 -9.377 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.732 -9.819 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.391 -7.942 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.890 -7.182 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.046 -9.367 8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.523 -9.670 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.045 -8.457 11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.688 -7.499 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.164 -7.205 9.971 1.00 0.00 H new ATOM 1370 N THR A 90 -7.967 -5.571 4.481 1.00 0.00 N ATOM 1371 CA THR A 90 -7.865 -4.298 3.788 1.00 0.00 C ATOM 1372 C THR A 90 -6.723 -3.464 4.369 1.00 0.00 C ATOM 1373 O THR A 90 -6.734 -3.129 5.553 1.00 0.00 O ATOM 1374 CB THR A 90 -9.227 -3.605 3.870 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.128 -4.540 3.284 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.316 -2.380 2.959 1.00 0.00 C ATOM 0 H THR A 90 -8.007 -5.501 5.498 1.00 0.00 H new ATOM 0 HA THR A 90 -7.619 -4.439 2.736 1.00 0.00 H new ATOM 0 HB THR A 90 -9.421 -3.306 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.036 -4.172 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.302 -1.926 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.553 -1.656 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.156 -2.684 1.924 1.00 0.00 H new ATOM 1384 N THR A 91 -5.764 -3.151 3.510 1.00 0.00 N ATOM 1385 CA THR A 91 -4.616 -2.362 3.924 1.00 0.00 C ATOM 1386 C THR A 91 -4.755 -0.920 3.432 1.00 0.00 C ATOM 1387 O THR A 91 -5.328 -0.675 2.372 1.00 0.00 O ATOM 1388 CB THR A 91 -3.354 -3.060 3.413 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.120 -4.095 4.364 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.112 -2.172 3.516 1.00 0.00 C ATOM 0 H THR A 91 -5.758 -3.430 2.529 1.00 0.00 H new ATOM 0 HA THR A 91 -4.551 -2.297 5.010 1.00 0.00 H new ATOM 0 HB THR A 91 -3.501 -3.361 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.320 -4.599 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.245 -2.715 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.260 -1.269 2.923 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.946 -1.898 4.558 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.220 -0.004 4.226 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.277 1.407 3.884 1.00 0.00 C ATOM 1400 C VAL A 92 -2.910 1.858 3.367 1.00 0.00 C ATOM 1401 O VAL A 92 -1.896 1.670 4.037 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.758 2.218 5.089 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.624 3.720 4.828 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.196 1.852 5.459 1.00 0.00 C ATOM 0 H VAL A 92 -3.745 -0.211 5.105 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.999 1.578 3.085 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.121 1.967 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.973 4.273 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.579 3.964 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.225 3.994 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.512 2.443 6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.853 2.059 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.249 0.792 5.708 1.00 0.00 H new ATOM 1414 N MET A 93 -2.926 2.444 2.178 1.00 0.00 N ATOM 1415 CA MET A 93 -1.700 2.923 1.563 1.00 0.00 C ATOM 1416 C MET A 93 -1.972 4.135 0.669 1.00 0.00 C ATOM 1417 O MET A 93 -3.023 4.220 0.036 1.00 0.00 O ATOM 1418 CB MET A 93 -1.075 1.803 0.729 1.00 0.00 C ATOM 1419 CG MET A 93 -0.466 0.725 1.628 1.00 0.00 C ATOM 1420 SD MET A 93 0.133 -0.632 0.634 1.00 0.00 S ATOM 1421 CE MET A 93 0.643 -1.758 1.921 1.00 0.00 C ATOM 0 H MET A 93 -3.769 2.598 1.625 1.00 0.00 H new ATOM 0 HA MET A 93 -1.013 3.225 2.354 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.833 1.358 0.084 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.305 2.216 0.078 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.351 1.147 2.213 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.213 0.366 2.336 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.731 -1.813 1.946 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.275 -1.402 2.883 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.234 -2.749 1.721 1.00 0.00 H new ATOM 1431 N HIS A 94 -1.006 5.042 0.647 1.00 0.00 N ATOM 1432 CA HIS A 94 -1.128 6.244 -0.159 1.00 0.00 C ATOM 1433 C HIS A 94 -0.243 6.122 -1.401 1.00 0.00 C ATOM 1434 O HIS A 94 0.720 5.357 -1.408 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.815 7.490 0.673 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.946 7.929 1.571 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.931 7.209 2.181 1.00 0.00 N flip ATOM 1438 CD2 HIS A 94 -2.151 9.251 1.927 1.00 0.00 C flip ATOM 1439 CE1 HIS A 94 -3.695 8.045 2.873 1.00 0.00 C flip ATOM 1440 NE2 HIS A 94 -3.213 9.312 2.716 1.00 0.00 N flip ATOM 0 H HIS A 94 -0.136 4.968 1.174 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.158 6.355 -0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.066 7.294 1.285 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.560 8.309 0.000 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.059 6.199 2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.547 10.090 1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.556 7.768 3.463 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.601 6.888 -2.421 1.00 0.00 N ATOM 1449 CA LEU A 95 0.149 6.875 -3.666 1.00 0.00 C ATOM 1450 C LEU A 95 0.800 8.243 -3.878 1.00 0.00 C ATOM 1451 O LEU A 95 0.256 9.265 -3.461 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.745 6.434 -4.826 1.00 0.00 C ATOM 1453 CG LEU A 95 -0.045 5.699 -5.971 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -1.064 5.074 -6.926 1.00 0.00 C ATOM 1455 CD2 LEU A 95 0.932 6.624 -6.699 1.00 0.00 C ATOM 0 H LEU A 95 -1.400 7.522 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 95 0.954 6.142 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.527 5.787 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.238 7.316 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 95 0.540 4.883 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.540 4.558 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.684 4.362 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.695 5.856 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.416 6.077 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.389 7.475 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.687 6.979 -5.998 1.00 0.00 H new ATOM 1467 N VAL A 96 1.956 8.219 -4.525 1.00 0.00 N ATOM 1468 CA VAL A 96 2.687 9.445 -4.798 1.00 0.00 C ATOM 1469 C VAL A 96 3.594 9.234 -6.011 1.00 0.00 C ATOM 1470 O VAL A 96 3.840 8.099 -6.417 1.00 0.00 O ATOM 1471 CB VAL A 96 3.452 9.886 -3.549 1.00 0.00 C ATOM 1472 CG1 VAL A 96 2.494 10.180 -2.393 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.493 8.840 -3.145 1.00 0.00 C ATOM 0 H VAL A 96 2.405 7.370 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 96 1.999 10.253 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 96 3.980 10.809 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.064 10.491 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.809 10.977 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.925 9.281 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.022 9.179 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.995 7.894 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.204 8.701 -3.959 1.00 0.00 H new ATOM 1483 N ALA A 97 4.067 10.345 -6.557 1.00 0.00 N ATOM 1484 CA ALA A 97 4.941 10.295 -7.717 1.00 0.00 C ATOM 1485 C ALA A 97 6.173 11.166 -7.458 1.00 0.00 C ATOM 1486 O ALA A 97 6.091 12.392 -7.505 1.00 0.00 O ATOM 1487 CB ALA A 97 4.166 10.736 -8.960 1.00 0.00 C ATOM 0 H ALA A 97 3.862 11.285 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 97 5.287 9.277 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.822 10.698 -9.830 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.318 10.069 -9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.805 11.755 -8.821 1.00 0.00 H new ATOM 1493 N ARG A 98 7.285 10.497 -7.192 1.00 0.00 N ATOM 1494 CA ARG A 98 8.532 11.195 -6.927 1.00 0.00 C ATOM 1495 C ARG A 98 9.604 10.207 -6.463 1.00 0.00 C ATOM 1496 O ARG A 98 9.293 9.075 -6.095 1.00 0.00 O ATOM 1497 CB ARG A 98 8.343 12.272 -5.856 1.00 0.00 C ATOM 1498 CG ARG A 98 8.935 13.607 -6.312 1.00 0.00 C ATOM 1499 CD ARG A 98 7.834 14.640 -6.556 1.00 0.00 C ATOM 1500 NE ARG A 98 8.434 15.963 -6.839 1.00 0.00 N ATOM 1501 CZ ARG A 98 7.732 17.099 -6.952 1.00 0.00 C ATOM 1502 NH1 ARG A 98 6.400 17.080 -6.806 1.00 0.00 N ATOM 1503 NH2 ARG A 98 8.361 18.253 -7.210 1.00 0.00 N ATOM 0 H ARG A 98 7.349 9.480 -7.154 1.00 0.00 H new ATOM 0 HA ARG A 98 8.849 11.672 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.281 12.395 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.821 11.956 -4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.627 13.979 -5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.510 13.460 -7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.210 14.328 -7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.185 14.705 -5.683 1.00 0.00 H new ATOM 0 HE ARG A 98 9.446 16.013 -6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.921 16.201 -6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.865 17.944 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.375 18.268 -7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.826 19.117 -7.296 1.00 0.00 H new ATOM 1517 N GLU A 99 10.845 10.671 -6.496 1.00 0.00 N ATOM 1518 CA GLU A 99 11.965 9.843 -6.084 1.00 0.00 C ATOM 1519 C GLU A 99 12.415 10.223 -4.672 1.00 0.00 C ATOM 1520 O GLU A 99 13.153 9.477 -4.030 1.00 0.00 O ATOM 1521 CB GLU A 99 13.124 9.953 -7.077 1.00 0.00 C ATOM 1522 CG GLU A 99 14.150 8.841 -6.849 1.00 0.00 C ATOM 1523 CD GLU A 99 15.567 9.332 -7.154 1.00 0.00 C ATOM 1524 OE1 GLU A 99 16.130 10.020 -6.276 1.00 0.00 O ATOM 1525 OE2 GLU A 99 16.054 9.008 -8.259 1.00 0.00 O ATOM 0 H GLU A 99 11.099 11.610 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 99 11.638 8.803 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.741 9.896 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.606 10.925 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 99 14.095 8.497 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.913 7.987 -7.483 1.00 0.00 H new ATOM 1532 N THR A 100 11.953 11.383 -4.230 1.00 0.00 N ATOM 1533 CA THR A 100 12.298 11.871 -2.906 1.00 0.00 C ATOM 1534 C THR A 100 13.818 11.963 -2.752 1.00 0.00 C ATOM 1535 O THR A 100 14.562 11.363 -3.526 1.00 0.00 O ATOM 1536 CB THR A 100 11.637 10.953 -1.876 1.00 0.00 C ATOM 1537 OG1 THR A 100 12.673 10.048 -1.502 1.00 0.00 O ATOM 1538 CG2 THR A 100 10.564 10.056 -2.495 1.00 0.00 C ATOM 0 H THR A 100 11.342 12.000 -4.766 1.00 0.00 H new ATOM 0 HA THR A 100 11.924 12.883 -2.747 1.00 0.00 H new ATOM 0 HB THR A 100 11.193 11.556 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.902 9.479 -2.266 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.127 9.425 -1.721 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.786 10.675 -2.941 1.00 0.00 H new ATOM 0 HG23 THR A 100 11.014 9.428 -3.264 1.00 0.00 H new ATOM 1546 N LEU A 101 14.234 12.719 -1.746 1.00 0.00 N ATOM 1547 CA LEU A 101 15.651 12.897 -1.480 1.00 0.00 C ATOM 1548 C LEU A 101 16.295 11.531 -1.235 1.00 0.00 C ATOM 1549 O LEU A 101 15.622 10.588 -0.823 1.00 0.00 O ATOM 1550 CB LEU A 101 15.861 13.890 -0.335 1.00 0.00 C ATOM 1551 CG LEU A 101 15.180 15.251 -0.495 1.00 0.00 C ATOM 1552 CD1 LEU A 101 15.252 16.056 0.805 1.00 0.00 C ATOM 1553 CD2 LEU A 101 15.767 16.022 -1.679 1.00 0.00 C ATOM 0 H LEU A 101 13.614 13.215 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 101 16.149 13.334 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.502 13.432 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.932 14.054 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 101 14.125 15.082 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.761 17.019 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.751 15.506 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.295 16.217 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.265 16.985 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 101 16.833 16.182 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.621 15.449 -2.595 1.00 0.00 H new ATOM 1565 N PRO A 102 17.626 11.467 -1.507 1.00 0.00 N ATOM 1566 CA PRO A 102 18.369 10.232 -1.321 1.00 0.00 C ATOM 1567 C PRO A 102 18.624 9.964 0.164 1.00 0.00 C ATOM 1568 O PRO A 102 18.578 10.883 0.981 1.00 0.00 O ATOM 1569 CB PRO A 102 19.649 10.418 -2.119 1.00 0.00 C ATOM 1570 CG PRO A 102 19.788 11.916 -2.340 1.00 0.00 C ATOM 1571 CD PRO A 102 18.456 12.563 -1.997 1.00 0.00 C ATOM 0 HA PRO A 102 17.822 9.356 -1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.508 10.022 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 102 19.598 9.886 -3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.582 12.322 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 102 20.059 12.126 -3.375 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.576 13.338 -1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.010 13.037 -2.871 1.00 0.00 H new ATOM 1579 N GLU A 103 18.887 8.702 0.468 1.00 0.00 N ATOM 1580 CA GLU A 103 19.150 8.302 1.840 1.00 0.00 C ATOM 1581 C GLU A 103 20.656 8.274 2.106 1.00 0.00 C ATOM 1582 O GLU A 103 21.453 8.171 1.175 1.00 0.00 O ATOM 1583 CB GLU A 103 18.513 6.944 2.147 1.00 0.00 C ATOM 1584 CG GLU A 103 16.990 7.060 2.233 1.00 0.00 C ATOM 1585 CD GLU A 103 16.546 7.388 3.660 1.00 0.00 C ATOM 1586 OE1 GLU A 103 16.907 8.489 4.128 1.00 0.00 O ATOM 1587 OE2 GLU A 103 15.855 6.530 4.251 1.00 0.00 O ATOM 0 H GLU A 103 18.924 7.943 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 103 18.698 9.037 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 103 18.784 6.228 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 103 18.906 6.558 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.642 7.837 1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 103 16.532 6.125 1.911 1.00 0.00 H new ATOM 1594 N PRO A 104 21.010 8.369 3.416 1.00 0.00 N ATOM 1595 CA PRO A 104 22.407 8.355 3.816 1.00 0.00 C ATOM 1596 C PRO A 104 22.990 6.944 3.725 1.00 0.00 C ATOM 1597 O PRO A 104 24.191 6.776 3.520 1.00 0.00 O ATOM 1598 CB PRO A 104 22.416 8.912 5.230 1.00 0.00 C ATOM 1599 CG PRO A 104 20.990 8.781 5.739 1.00 0.00 C ATOM 1600 CD PRO A 104 20.094 8.491 4.546 1.00 0.00 C ATOM 0 HA PRO A 104 23.038 8.956 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 104 23.109 8.358 5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 104 22.739 9.953 5.238 1.00 0.00 H new ATOM 0 HG2 PRO A 104 20.919 7.979 6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 104 20.677 9.698 6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.523 7.575 4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.374 9.294 4.387 1.00 0.00 H new ATOM 1608 N ASN A 105 22.112 5.964 3.881 1.00 0.00 N ATOM 1609 CA ASN A 105 22.524 4.572 3.819 1.00 0.00 C ATOM 1610 C ASN A 105 21.459 3.762 3.079 1.00 0.00 C ATOM 1611 O ASN A 105 20.319 3.669 3.531 1.00 0.00 O ATOM 1612 CB ASN A 105 22.678 3.981 5.222 1.00 0.00 C ATOM 1613 CG ASN A 105 24.122 4.103 5.713 1.00 0.00 C ATOM 1614 OD1 ASN A 105 25.073 3.827 5.000 1.00 0.00 O ATOM 1615 ND2 ASN A 105 24.233 4.532 6.967 1.00 0.00 N ATOM 0 H ASN A 105 21.116 6.107 4.050 1.00 0.00 H new ATOM 0 HA ASN A 105 23.482 4.526 3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 105 22.011 4.496 5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 105 22.380 2.932 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 105 25.155 4.648 7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 105 23.396 4.745 7.509 1.00 0.00 H new ATOM 1622 N SER A 106 21.868 3.195 1.953 1.00 0.00 N ATOM 1623 CA SER A 106 20.963 2.396 1.146 1.00 0.00 C ATOM 1624 C SER A 106 21.664 1.116 0.685 1.00 0.00 C ATOM 1625 O SER A 106 22.688 1.175 0.007 1.00 0.00 O ATOM 1626 CB SER A 106 20.457 3.187 -0.062 1.00 0.00 C ATOM 1627 OG SER A 106 21.527 3.714 -0.842 1.00 0.00 O ATOM 0 H SER A 106 22.815 3.274 1.581 1.00 0.00 H new ATOM 0 HA SER A 106 20.102 2.131 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 106 19.838 2.541 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 106 19.821 4.004 0.280 1.00 0.00 H new ATOM 0 HG SER A 106 22.298 3.112 -0.788 1.00 0.00 H new ATOM 1633 N GLN A 107 21.084 -0.011 1.073 1.00 0.00 N ATOM 1634 CA GLN A 107 21.641 -1.303 0.709 1.00 0.00 C ATOM 1635 C GLN A 107 20.567 -2.389 0.805 1.00 0.00 C ATOM 1636 O GLN A 107 20.246 -3.038 -0.189 1.00 0.00 O ATOM 1637 CB GLN A 107 22.848 -1.646 1.584 1.00 0.00 C ATOM 1638 CG GLN A 107 23.720 -2.713 0.920 1.00 0.00 C ATOM 1639 CD GLN A 107 25.176 -2.591 1.374 1.00 0.00 C ATOM 1640 OE1 GLN A 107 25.998 -1.948 0.742 1.00 0.00 O ATOM 1641 NE2 GLN A 107 25.449 -3.243 2.501 1.00 0.00 N ATOM 0 H GLN A 107 20.234 -0.056 1.636 1.00 0.00 H new ATOM 0 HA GLN A 107 21.986 -1.251 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 107 23.439 -0.748 1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 107 22.508 -2.003 2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 107 23.340 -3.704 1.167 1.00 0.00 H new ATOM 0 HG3 GLN A 107 23.663 -2.611 -0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 107 24.714 -3.763 2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 107 26.394 -3.223 2.886 1.00 0.00 H new ATOM 1650 N GLY A 108 20.043 -2.553 2.011 1.00 0.00 N ATOM 1651 CA GLY A 108 19.013 -3.550 2.249 1.00 0.00 C ATOM 1652 C GLY A 108 19.627 -4.877 2.696 1.00 0.00 C ATOM 1653 O GLY A 108 19.654 -5.842 1.933 1.00 0.00 O ATOM 0 H GLY A 108 20.312 -2.013 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 108 18.322 -3.190 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 108 18.432 -3.702 1.339 1.00 0.00 H new ATOM 1657 N GLN A 109 20.107 -4.885 3.932 1.00 0.00 N ATOM 1658 CA GLN A 109 20.719 -6.078 4.489 1.00 0.00 C ATOM 1659 C GLN A 109 20.448 -6.161 5.993 1.00 0.00 C ATOM 1660 O GLN A 109 21.320 -5.847 6.802 1.00 0.00 O ATOM 1661 CB GLN A 109 22.221 -6.110 4.200 1.00 0.00 C ATOM 1662 CG GLN A 109 22.806 -7.495 4.487 1.00 0.00 C ATOM 1663 CD GLN A 109 24.268 -7.575 4.045 1.00 0.00 C ATOM 1664 OE1 GLN A 109 24.612 -7.323 2.902 1.00 0.00 O ATOM 1665 NE2 GLN A 109 25.107 -7.939 5.011 1.00 0.00 N ATOM 0 H GLN A 109 20.084 -4.084 4.562 1.00 0.00 H new ATOM 0 HA GLN A 109 20.272 -6.949 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 109 22.400 -5.845 3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 109 22.728 -5.363 4.811 1.00 0.00 H new ATOM 0 HG2 GLN A 109 22.732 -7.711 5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 109 22.223 -8.255 3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 109 24.753 -8.136 5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 109 26.105 -8.021 4.816 1.00 0.00 H new ATOM 1674 N ARG A 110 19.237 -6.584 6.322 1.00 0.00 N ATOM 1675 CA ARG A 110 18.840 -6.712 7.714 1.00 0.00 C ATOM 1676 C ARG A 110 17.796 -7.820 7.869 1.00 0.00 C ATOM 1677 O ARG A 110 17.085 -8.144 6.919 1.00 0.00 O ATOM 1678 CB ARG A 110 18.263 -5.398 8.244 1.00 0.00 C ATOM 1679 CG ARG A 110 19.253 -4.703 9.180 1.00 0.00 C ATOM 1680 CD ARG A 110 19.751 -3.389 8.574 1.00 0.00 C ATOM 1681 NE ARG A 110 20.186 -2.468 9.648 1.00 0.00 N ATOM 1682 CZ ARG A 110 21.336 -2.592 10.324 1.00 0.00 C ATOM 1683 NH1 ARG A 110 22.174 -3.598 10.041 1.00 0.00 N ATOM 1684 NH2 ARG A 110 21.648 -1.709 11.282 1.00 0.00 N ATOM 0 H ARG A 110 18.517 -6.843 5.648 1.00 0.00 H new ATOM 0 HA ARG A 110 19.730 -6.964 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 110 18.022 -4.739 7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 110 17.331 -5.594 8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 110 18.775 -4.507 10.140 1.00 0.00 H new ATOM 0 HG3 ARG A 110 20.099 -5.362 9.374 1.00 0.00 H new ATOM 0 HD2 ARG A 110 20.580 -3.584 7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 110 18.958 -2.927 7.986 1.00 0.00 H new ATOM 0 HE ARG A 110 19.572 -1.690 9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 110 21.937 -4.270 9.311 1.00 0.00 H new ATOM 0 HH12 ARG A 110 23.050 -3.692 10.556 1.00 0.00 H new ATOM 0 HH21 ARG A 110 21.010 -0.943 11.497 1.00 0.00 H new ATOM 0 HH22 ARG A 110 22.523 -1.803 11.797 1.00 0.00 H new ATOM 1698 N SER A 111 17.737 -8.369 9.073 1.00 0.00 N ATOM 1699 CA SER A 111 16.792 -9.433 9.365 1.00 0.00 C ATOM 1700 C SER A 111 16.142 -9.196 10.729 1.00 0.00 C ATOM 1701 O SER A 111 16.663 -9.635 11.754 1.00 0.00 O ATOM 1702 CB SER A 111 17.476 -10.801 9.333 1.00 0.00 C ATOM 1703 OG SER A 111 16.536 -11.870 9.406 1.00 0.00 O ATOM 0 H SER A 111 18.329 -8.097 9.858 1.00 0.00 H new ATOM 0 HA SER A 111 16.020 -9.425 8.596 1.00 0.00 H new ATOM 0 HB2 SER A 111 18.059 -10.893 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 111 18.176 -10.876 10.165 1.00 0.00 H new ATOM 0 HG SER A 111 17.012 -12.726 9.381 1.00 0.00 H new ATOM 1709 N GLY A 112 15.013 -8.502 10.699 1.00 0.00 N ATOM 1710 CA GLY A 112 14.287 -8.202 11.921 1.00 0.00 C ATOM 1711 C GLY A 112 13.613 -6.831 11.834 1.00 0.00 C ATOM 1712 O GLY A 112 14.259 -5.837 11.508 1.00 0.00 O ATOM 0 H GLY A 112 14.584 -8.139 9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.535 -8.971 12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.971 -8.222 12.769 1.00 0.00 H new ATOM 1716 N PRO A 113 12.288 -6.822 12.141 1.00 0.00 N ATOM 1717 CA PRO A 113 11.519 -5.590 12.101 1.00 0.00 C ATOM 1718 C PRO A 113 11.839 -4.704 13.307 1.00 0.00 C ATOM 1719 O PRO A 113 10.943 -4.327 14.060 1.00 0.00 O ATOM 1720 CB PRO A 113 10.066 -6.034 12.060 1.00 0.00 C ATOM 1721 CG PRO A 113 10.056 -7.474 12.545 1.00 0.00 C ATOM 1722 CD PRO A 113 11.489 -7.980 12.532 1.00 0.00 C ATOM 0 HA PRO A 113 11.758 -4.973 11.235 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.447 -5.403 12.698 1.00 0.00 H new ATOM 0 HB3 PRO A 113 9.663 -5.959 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.639 -7.535 13.550 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.428 -8.089 11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.786 -8.353 13.512 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.612 -8.802 11.827 1.00 0.00 H new ATOM 1730 N SER A 114 13.120 -4.399 13.453 1.00 0.00 N ATOM 1731 CA SER A 114 13.570 -3.565 14.554 1.00 0.00 C ATOM 1732 C SER A 114 13.075 -4.141 15.883 1.00 0.00 C ATOM 1733 O SER A 114 12.408 -5.174 15.905 1.00 0.00 O ATOM 1734 CB SER A 114 13.086 -2.123 14.387 1.00 0.00 C ATOM 1735 OG SER A 114 13.367 -1.613 13.087 1.00 0.00 O ATOM 0 H SER A 114 13.861 -4.715 12.827 1.00 0.00 H new ATOM 0 HA SER A 114 14.660 -3.556 14.553 1.00 0.00 H new ATOM 0 HB2 SER A 114 12.012 -2.077 14.570 1.00 0.00 H new ATOM 0 HB3 SER A 114 13.564 -1.491 15.135 1.00 0.00 H new ATOM 0 HG SER A 114 13.041 -0.691 13.020 1.00 0.00 H new ATOM 1741 N SER A 115 13.419 -3.446 16.957 1.00 0.00 N ATOM 1742 CA SER A 115 13.018 -3.876 18.286 1.00 0.00 C ATOM 1743 C SER A 115 13.159 -5.394 18.410 1.00 0.00 C ATOM 1744 O SER A 115 12.178 -6.125 18.280 1.00 0.00 O ATOM 1745 CB SER A 115 11.581 -3.449 18.592 1.00 0.00 C ATOM 1746 OG SER A 115 11.425 -3.034 19.946 1.00 0.00 O ATOM 0 H SER A 115 13.971 -2.588 16.934 1.00 0.00 H new ATOM 0 HA SER A 115 13.674 -3.397 19.013 1.00 0.00 H new ATOM 0 HB2 SER A 115 11.296 -2.633 17.928 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.905 -4.279 18.387 1.00 0.00 H new ATOM 0 HG SER A 115 10.495 -2.768 20.101 1.00 0.00 H new ATOM 1752 N GLY A 116 14.387 -5.824 18.660 1.00 0.00 N ATOM 1753 CA GLY A 116 14.668 -7.243 18.803 1.00 0.00 C ATOM 1754 C GLY A 116 16.061 -7.468 19.396 1.00 0.00 C ATOM 1755 O GLY A 116 16.865 -6.541 19.470 1.00 0.00 O ATOM 0 H GLY A 116 15.198 -5.215 18.767 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.917 -7.704 19.445 1.00 0.00 H new ATOM 0 HA3 GLY A 116 14.599 -7.731 17.831 1.00 0.00 H new TER 1759 GLY A 116