USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 907 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 86 ASN : amide:sc= -2.25 K(o=-4.3,f=-5.7!) USER MOD Set 1.2: A 108 GLN : amide:sc= -1.24 K(o=-4.3,f=-6) USER MOD Set 1.3: A 119 ASN :FLIP amide:sc= -0.851 F(o=-6.3,f=-4.3) USER MOD Set 2.1: A 34 GLN :FLIP amide:sc= -1.47! C(o=-3.1!,f=-1.1!) USER MOD Set 2.2: A 76 THR OG1 : rot 103:sc= 0.396 USER MOD Set 3.1: A 18 ASN :FLIP amide:sc=-0.00537 F(o=-4.3,f=-1.8) USER MOD Set 3.2: A 43 ASN :FLIP amide:sc= -1.8! C(o=-3.1!,f=-1.8!) USER MOD Set 4.1: A 26 THR OG1 : rot 33:sc= 0.81 USER MOD Set 4.2: A 36 SER OG : rot 114:sc= 0.254 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 31:sc= 1.26 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0846 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00452 X(o=-0.0045,f=-0.36) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 27:sc= 0.0623 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc=-0.00859 F(o=-0.74,f=-0.0086) USER MOD Single : A 45 SER OG : rot 55:sc= 0.46 USER MOD Single : A 48 THR OG1 : rot -58:sc= 0.865 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -124:sc= -2.9 (180deg=-6.24!) USER MOD Single : A 59 HIS : no HE2:sc= 0.369 K(o=0.37,f=-1.6!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -0.168 F(o=-1.4,f=-0.17) USER MOD Single : A 66 HIS : no HD1:sc= -0.0049 X(o=-0.0049,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.089 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -9.08! C(o=-9.1!,f=-14!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.107 F(o=-0.8,f=-0.11) USER MOD Single : A 80 ASN : amide:sc= -0.0155 K(o=-0.015,f=-1.3) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -111:sc= -1.34 USER MOD Single : A 88 SER OG : rot -126:sc= -1.36 USER MOD Single : A 92 MET CE :methyl 168:sc= -5.31! (180deg=-5.59!) USER MOD Single : A 95 ASN : amide:sc= -12.7! C(o=-13!,f=-25!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -161:sc= 0.729 USER MOD Single : A 103 SER OG : rot 70:sc= -2.94 USER MOD Single : A 106 SER OG : rot -59:sc= -0.282 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -143:sc= 1.23 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.118) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.120 2.962 6.090 1.00 0.00 N ATOM 2 CA GLY A 1 -28.280 3.236 5.258 1.00 0.00 C ATOM 3 C GLY A 1 -29.410 2.246 5.550 1.00 0.00 C ATOM 4 O GLY A 1 -30.460 2.631 6.063 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.368 3.647 5.873 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.385 3.044 7.092 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.777 1.999 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.628 4.253 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.000 3.175 4.206 1.00 0.00 H new ATOM 8 N SER A 2 -29.156 0.991 5.211 1.00 0.00 N ATOM 9 CA SER A 2 -30.139 -0.057 5.430 1.00 0.00 C ATOM 10 C SER A 2 -31.354 0.168 4.528 1.00 0.00 C ATOM 11 O SER A 2 -31.921 1.259 4.505 1.00 0.00 O ATOM 12 CB SER A 2 -30.570 -0.109 6.897 1.00 0.00 C ATOM 13 OG SER A 2 -30.237 -1.354 7.507 1.00 0.00 O ATOM 0 H SER A 2 -28.284 0.676 4.786 1.00 0.00 H new ATOM 0 HA SER A 2 -29.681 -1.014 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.091 0.703 7.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.646 0.052 6.965 1.00 0.00 H new ATOM 0 HG SER A 2 -30.527 -1.347 8.443 1.00 0.00 H new ATOM 19 N SER A 3 -31.717 -0.882 3.806 1.00 0.00 N ATOM 20 CA SER A 3 -32.854 -0.813 2.905 1.00 0.00 C ATOM 21 C SER A 3 -33.074 -2.171 2.234 1.00 0.00 C ATOM 22 O SER A 3 -32.213 -3.047 2.302 1.00 0.00 O ATOM 23 CB SER A 3 -32.654 0.275 1.848 1.00 0.00 C ATOM 24 OG SER A 3 -33.147 1.539 2.283 1.00 0.00 O ATOM 0 H SER A 3 -31.243 -1.785 3.827 1.00 0.00 H new ATOM 0 HA SER A 3 -33.738 -0.556 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.593 0.361 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.162 -0.015 0.928 1.00 0.00 H new ATOM 0 HG SER A 3 -33.054 1.609 3.256 1.00 0.00 H new ATOM 30 N GLY A 4 -34.230 -2.302 1.601 1.00 0.00 N ATOM 31 CA GLY A 4 -34.573 -3.538 0.919 1.00 0.00 C ATOM 32 C GLY A 4 -35.960 -4.031 1.340 1.00 0.00 C ATOM 33 O GLY A 4 -36.347 -3.888 2.499 1.00 0.00 O ATOM 0 H GLY A 4 -34.941 -1.573 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.551 -3.381 -0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.828 -4.301 1.145 1.00 0.00 H new ATOM 37 N SER A 5 -36.669 -4.599 0.376 1.00 0.00 N ATOM 38 CA SER A 5 -38.003 -5.113 0.632 1.00 0.00 C ATOM 39 C SER A 5 -38.113 -6.556 0.134 1.00 0.00 C ATOM 40 O SER A 5 -37.454 -6.934 -0.833 1.00 0.00 O ATOM 41 CB SER A 5 -39.068 -4.239 -0.034 1.00 0.00 C ATOM 42 OG SER A 5 -40.343 -4.388 0.582 1.00 0.00 O ATOM 0 H SER A 5 -36.344 -4.715 -0.584 1.00 0.00 H new ATOM 0 HA SER A 5 -38.176 -5.093 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 5 -38.762 -3.194 0.015 1.00 0.00 H new ATOM 0 HB3 SER A 5 -39.143 -4.500 -1.090 1.00 0.00 H new ATOM 0 HG SER A 5 -40.994 -3.813 0.129 1.00 0.00 H new ATOM 48 N SER A 6 -38.951 -7.322 0.817 1.00 0.00 N ATOM 49 CA SER A 6 -39.156 -8.714 0.456 1.00 0.00 C ATOM 50 C SER A 6 -39.429 -8.831 -1.044 1.00 0.00 C ATOM 51 O SER A 6 -39.732 -7.837 -1.703 1.00 0.00 O ATOM 52 CB SER A 6 -40.308 -9.327 1.255 1.00 0.00 C ATOM 53 OG SER A 6 -40.474 -10.714 0.974 1.00 0.00 O ATOM 0 H SER A 6 -39.496 -7.005 1.619 1.00 0.00 H new ATOM 0 HA SER A 6 -38.248 -9.267 0.698 1.00 0.00 H new ATOM 0 HB2 SER A 6 -40.122 -9.193 2.321 1.00 0.00 H new ATOM 0 HB3 SER A 6 -41.232 -8.797 1.024 1.00 0.00 H new ATOM 0 HG SER A 6 -41.218 -11.069 1.505 1.00 0.00 H new ATOM 59 N GLY A 7 -39.313 -10.054 -1.541 1.00 0.00 N ATOM 60 CA GLY A 7 -39.544 -10.313 -2.952 1.00 0.00 C ATOM 61 C GLY A 7 -38.836 -11.594 -3.397 1.00 0.00 C ATOM 62 O GLY A 7 -37.623 -11.598 -3.603 1.00 0.00 O ATOM 0 H GLY A 7 -39.062 -10.876 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -40.614 -10.401 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -39.185 -9.471 -3.544 1.00 0.00 H new ATOM 66 N PRO A 8 -39.644 -12.680 -3.536 1.00 0.00 N ATOM 67 CA PRO A 8 -39.107 -13.964 -3.953 1.00 0.00 C ATOM 68 C PRO A 8 -38.789 -13.966 -5.449 1.00 0.00 C ATOM 69 O PRO A 8 -39.642 -13.627 -6.269 1.00 0.00 O ATOM 70 CB PRO A 8 -40.172 -14.978 -3.570 1.00 0.00 C ATOM 71 CG PRO A 8 -41.454 -14.185 -3.380 1.00 0.00 C ATOM 72 CD PRO A 8 -41.084 -12.713 -3.300 1.00 0.00 C ATOM 0 HA PRO A 8 -38.159 -14.201 -3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -40.291 -15.732 -4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -39.899 -15.504 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -42.139 -14.362 -4.209 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -41.966 -14.500 -2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -41.621 -12.128 -4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -41.335 -12.294 -2.326 1.00 0.00 H new ATOM 80 N THR A 9 -37.560 -14.351 -5.761 1.00 0.00 N ATOM 81 CA THR A 9 -37.120 -14.401 -7.144 1.00 0.00 C ATOM 82 C THR A 9 -35.708 -14.984 -7.233 1.00 0.00 C ATOM 83 O THR A 9 -34.782 -14.476 -6.602 1.00 0.00 O ATOM 84 CB THR A 9 -37.234 -12.992 -7.728 1.00 0.00 C ATOM 85 OG1 THR A 9 -36.835 -13.146 -9.088 1.00 0.00 O ATOM 86 CG2 THR A 9 -36.198 -12.030 -7.143 1.00 0.00 C ATOM 0 H THR A 9 -36.855 -14.631 -5.079 1.00 0.00 H new ATOM 0 HA THR A 9 -37.750 -15.065 -7.736 1.00 0.00 H new ATOM 0 HB THR A 9 -38.235 -12.603 -7.544 1.00 0.00 H new ATOM 0 HG1 THR A 9 -36.881 -12.279 -9.543 1.00 0.00 H new ATOM 0 HG21 THR A 9 -36.323 -11.044 -7.591 1.00 0.00 H new ATOM 0 HG22 THR A 9 -36.337 -11.958 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 9 -35.196 -12.401 -7.356 1.00 0.00 H new ATOM 94 N PRO A 10 -35.583 -16.069 -8.044 1.00 0.00 N ATOM 95 CA PRO A 10 -34.300 -16.725 -8.224 1.00 0.00 C ATOM 96 C PRO A 10 -33.384 -15.900 -9.130 1.00 0.00 C ATOM 97 O PRO A 10 -33.459 -16.003 -10.354 1.00 0.00 O ATOM 98 CB PRO A 10 -34.634 -18.091 -8.802 1.00 0.00 C ATOM 99 CG PRO A 10 -36.045 -17.974 -9.357 1.00 0.00 C ATOM 100 CD PRO A 10 -36.658 -16.696 -8.808 1.00 0.00 C ATOM 0 HA PRO A 10 -33.745 -16.827 -7.291 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -33.928 -18.367 -9.585 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -34.578 -18.864 -8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -36.026 -17.951 -10.447 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -36.642 -18.839 -9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -37.004 -16.046 -9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -37.520 -16.910 -8.177 1.00 0.00 H new ATOM 108 N ALA A 11 -32.541 -15.100 -8.495 1.00 0.00 N ATOM 109 CA ALA A 11 -31.612 -14.258 -9.229 1.00 0.00 C ATOM 110 C ALA A 11 -30.596 -13.657 -8.255 1.00 0.00 C ATOM 111 O ALA A 11 -30.960 -13.218 -7.165 1.00 0.00 O ATOM 112 CB ALA A 11 -32.389 -13.185 -9.994 1.00 0.00 C ATOM 0 H ALA A 11 -32.482 -15.017 -7.480 1.00 0.00 H new ATOM 0 HA ALA A 11 -31.060 -14.846 -9.962 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -31.692 -12.554 -10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -33.076 -13.662 -10.693 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -32.954 -12.574 -9.290 1.00 0.00 H new ATOM 118 N PRO A 12 -29.309 -13.658 -8.694 1.00 0.00 N ATOM 119 CA PRO A 12 -28.238 -13.119 -7.873 1.00 0.00 C ATOM 120 C PRO A 12 -28.270 -11.589 -7.864 1.00 0.00 C ATOM 121 O PRO A 12 -28.993 -10.976 -8.648 1.00 0.00 O ATOM 122 CB PRO A 12 -26.960 -13.682 -8.474 1.00 0.00 C ATOM 123 CG PRO A 12 -27.324 -14.135 -9.878 1.00 0.00 C ATOM 124 CD PRO A 12 -28.841 -14.170 -9.978 1.00 0.00 C ATOM 0 HA PRO A 12 -28.329 -13.403 -6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.174 -12.927 -8.499 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -26.583 -14.515 -7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.908 -13.452 -10.619 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.905 -15.120 -10.082 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -29.198 -13.554 -10.804 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -29.203 -15.183 -10.156 1.00 0.00 H new ATOM 132 N VAL A 13 -27.479 -11.017 -6.968 1.00 0.00 N ATOM 133 CA VAL A 13 -27.408 -9.571 -6.847 1.00 0.00 C ATOM 134 C VAL A 13 -25.958 -9.155 -6.593 1.00 0.00 C ATOM 135 O VAL A 13 -25.551 -8.977 -5.446 1.00 0.00 O ATOM 136 CB VAL A 13 -28.368 -9.090 -5.757 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.787 -7.638 -5.997 1.00 0.00 C ATOM 138 CG2 VAL A 13 -29.590 -10.005 -5.659 1.00 0.00 C ATOM 0 H VAL A 13 -26.882 -11.529 -6.319 1.00 0.00 H new ATOM 0 HA VAL A 13 -27.725 -9.094 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 13 -27.841 -9.133 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.469 -7.321 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.904 -6.999 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -29.287 -7.558 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -30.256 -9.640 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.118 -10.010 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.268 -11.018 -5.418 1.00 0.00 H new ATOM 148 N TYR A 14 -25.217 -9.013 -7.683 1.00 0.00 N ATOM 149 CA TYR A 14 -23.821 -8.622 -7.593 1.00 0.00 C ATOM 150 C TYR A 14 -23.689 -7.148 -7.203 1.00 0.00 C ATOM 151 O TYR A 14 -24.683 -6.492 -6.896 1.00 0.00 O ATOM 152 CB TYR A 14 -23.236 -8.821 -8.992 1.00 0.00 C ATOM 153 CG TYR A 14 -23.201 -10.281 -9.450 1.00 0.00 C ATOM 154 CD1 TYR A 14 -24.295 -10.831 -10.086 1.00 0.00 C ATOM 155 CD2 TYR A 14 -22.076 -11.048 -9.226 1.00 0.00 C ATOM 156 CE1 TYR A 14 -24.263 -12.204 -10.517 1.00 0.00 C ATOM 157 CE2 TYR A 14 -22.043 -12.422 -9.657 1.00 0.00 C ATOM 158 CZ TYR A 14 -23.138 -12.932 -10.281 1.00 0.00 C ATOM 159 OH TYR A 14 -23.108 -14.229 -10.688 1.00 0.00 O ATOM 0 H TYR A 14 -25.558 -9.162 -8.633 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.305 -9.213 -6.836 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.822 -8.241 -9.705 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.222 -8.420 -9.011 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -25.176 -10.231 -10.261 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.220 -10.618 -8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -25.112 -12.646 -11.016 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.169 -13.033 -9.488 1.00 0.00 H new ATOM 0 HH TYR A 14 -22.243 -14.625 -10.455 1.00 0.00 H new ATOM 169 N ASP A 15 -22.453 -6.671 -7.228 1.00 0.00 N ATOM 170 CA ASP A 15 -22.178 -5.287 -6.882 1.00 0.00 C ATOM 171 C ASP A 15 -20.682 -5.123 -6.605 1.00 0.00 C ATOM 172 O ASP A 15 -20.295 -4.581 -5.571 1.00 0.00 O ATOM 173 CB ASP A 15 -22.940 -4.873 -5.622 1.00 0.00 C ATOM 174 CG ASP A 15 -24.277 -4.172 -5.875 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.305 -3.318 -6.787 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.240 -4.507 -5.152 1.00 0.00 O ATOM 0 H ASP A 15 -21.631 -7.218 -7.483 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.494 -4.661 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.122 -5.761 -5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.305 -4.211 -5.033 1.00 0.00 H new ATOM 181 N VAL A 16 -19.882 -5.601 -7.547 1.00 0.00 N ATOM 182 CA VAL A 16 -18.438 -5.514 -7.417 1.00 0.00 C ATOM 183 C VAL A 16 -18.020 -6.048 -6.046 1.00 0.00 C ATOM 184 O VAL A 16 -18.843 -6.146 -5.136 1.00 0.00 O ATOM 185 CB VAL A 16 -17.976 -4.076 -7.664 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.316 -3.628 -9.087 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.577 -3.122 -6.630 1.00 0.00 C ATOM 0 H VAL A 16 -20.207 -6.050 -8.403 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.949 -6.133 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.892 -4.049 -7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.977 -2.603 -9.236 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.819 -4.283 -9.803 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.394 -3.679 -9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.233 -2.107 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.665 -3.155 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.262 -3.423 -5.631 1.00 0.00 H new ATOM 197 N PRO A 17 -16.708 -6.389 -5.937 1.00 0.00 N ATOM 198 CA PRO A 17 -16.171 -6.911 -4.692 1.00 0.00 C ATOM 199 C PRO A 17 -16.003 -5.797 -3.657 1.00 0.00 C ATOM 200 O PRO A 17 -15.275 -4.834 -3.890 1.00 0.00 O ATOM 201 CB PRO A 17 -14.856 -7.569 -5.076 1.00 0.00 C ATOM 202 CG PRO A 17 -14.480 -6.990 -6.430 1.00 0.00 C ATOM 203 CD PRO A 17 -15.705 -6.287 -6.993 1.00 0.00 C ATOM 0 HA PRO A 17 -16.837 -7.631 -4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.084 -7.362 -4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.963 -8.652 -5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.651 -6.290 -6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.150 -7.780 -7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.488 -5.246 -7.234 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.047 -6.763 -7.912 1.00 0.00 H new ATOM 211 N ASN A 18 -16.689 -5.965 -2.536 1.00 0.00 N ATOM 212 CA ASN A 18 -16.624 -4.986 -1.465 1.00 0.00 C ATOM 213 C ASN A 18 -15.172 -4.545 -1.269 1.00 0.00 C ATOM 214 O ASN A 18 -14.249 -5.213 -1.734 1.00 0.00 O ATOM 215 CB ASN A 18 -17.120 -5.579 -0.145 1.00 0.00 C ATOM 216 CG ASN A 18 -18.634 -5.408 -0.001 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.304 -5.535 -1.143 1.00 0.00 O flip ATOM 218 ND2 ASN A 18 -19.159 -5.175 1.075 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.293 -6.765 -2.346 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.257 -4.142 -1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.864 -6.638 -0.099 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.615 -5.092 0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.586 -5.090 1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.171 -5.066 1.135 1.00 0.00 H new ATOM 225 N PRO A 19 -15.011 -3.395 -0.562 1.00 0.00 N ATOM 226 CA PRO A 19 -13.687 -2.857 -0.299 1.00 0.00 C ATOM 227 C PRO A 19 -12.973 -3.665 0.786 1.00 0.00 C ATOM 228 O PRO A 19 -13.612 -4.186 1.699 1.00 0.00 O ATOM 229 CB PRO A 19 -13.922 -1.408 0.096 1.00 0.00 C ATOM 230 CG PRO A 19 -15.387 -1.316 0.489 1.00 0.00 C ATOM 231 CD PRO A 19 -16.081 -2.578 0.003 1.00 0.00 C ATOM 0 HA PRO A 19 -13.028 -2.917 -1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.276 -1.120 0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.697 -0.736 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.487 -1.218 1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.846 -0.433 0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.583 -3.094 0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.841 -2.349 -0.744 1.00 0.00 H new ATOM 239 N PRO A 20 -11.622 -3.746 0.649 1.00 0.00 N ATOM 240 CA PRO A 20 -10.815 -4.481 1.607 1.00 0.00 C ATOM 241 C PRO A 20 -10.670 -3.700 2.915 1.00 0.00 C ATOM 242 O PRO A 20 -11.061 -2.537 2.994 1.00 0.00 O ATOM 243 CB PRO A 20 -9.487 -4.716 0.905 1.00 0.00 C ATOM 244 CG PRO A 20 -9.434 -3.708 -0.233 1.00 0.00 C ATOM 245 CD PRO A 20 -10.831 -3.141 -0.419 1.00 0.00 C ATOM 0 HA PRO A 20 -11.268 -5.428 1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.652 -4.575 1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.420 -5.736 0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.726 -2.911 -0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.091 -4.186 -1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.830 -2.054 -0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.233 -3.392 -1.401 1.00 0.00 H new ATOM 253 N PHE A 21 -10.106 -4.372 3.908 1.00 0.00 N ATOM 254 CA PHE A 21 -9.904 -3.756 5.208 1.00 0.00 C ATOM 255 C PHE A 21 -8.702 -4.373 5.927 1.00 0.00 C ATOM 256 O PHE A 21 -8.111 -5.335 5.440 1.00 0.00 O ATOM 257 CB PHE A 21 -11.166 -4.022 6.030 1.00 0.00 C ATOM 258 CG PHE A 21 -11.614 -5.485 6.027 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.097 -6.357 6.934 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.528 -5.915 5.116 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.512 -7.715 6.931 1.00 0.00 C ATOM 262 CE2 PHE A 21 -12.944 -7.273 5.113 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.427 -8.144 6.020 1.00 0.00 C ATOM 0 H PHE A 21 -9.783 -5.337 3.838 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.713 -2.689 5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.990 -3.709 7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.976 -3.404 5.643 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.370 -6.016 7.657 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.938 -5.223 4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.102 -8.407 7.651 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.671 -7.614 4.390 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.743 -9.177 6.017 1.00 0.00 H new ATOM 273 N ASP A 22 -8.377 -3.793 7.073 1.00 0.00 N ATOM 274 CA ASP A 22 -7.256 -4.274 7.863 1.00 0.00 C ATOM 275 C ASP A 22 -5.950 -3.960 7.131 1.00 0.00 C ATOM 276 O ASP A 22 -4.920 -4.576 7.401 1.00 0.00 O ATOM 277 CB ASP A 22 -7.334 -5.788 8.064 1.00 0.00 C ATOM 278 CG ASP A 22 -7.038 -6.268 9.487 1.00 0.00 C ATOM 279 OD1 ASP A 22 -5.867 -6.126 9.901 1.00 0.00 O ATOM 280 OD2 ASP A 22 -7.989 -6.765 10.128 1.00 0.00 O ATOM 0 H ASP A 22 -8.870 -2.995 7.473 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.290 -3.779 8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.332 -6.126 7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.631 -6.267 7.382 1.00 0.00 H new ATOM 285 N LEU A 23 -6.035 -3.003 6.219 1.00 0.00 N ATOM 286 CA LEU A 23 -4.872 -2.601 5.446 1.00 0.00 C ATOM 287 C LEU A 23 -3.706 -2.321 6.396 1.00 0.00 C ATOM 288 O LEU A 23 -3.868 -1.622 7.395 1.00 0.00 O ATOM 289 CB LEU A 23 -5.218 -1.423 4.532 1.00 0.00 C ATOM 290 CG LEU A 23 -5.316 -1.739 3.039 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.523 -2.632 2.746 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.338 -0.455 2.207 1.00 0.00 C ATOM 0 H LEU A 23 -6.891 -2.494 5.998 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.557 -3.407 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.170 -1.004 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.464 -0.648 4.670 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.425 -2.296 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.570 -2.842 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.425 -3.568 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.436 -2.123 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.408 -0.708 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.199 0.149 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.423 0.110 2.385 1.00 0.00 H new ATOM 304 N GLU A 24 -2.556 -2.880 6.050 1.00 0.00 N ATOM 305 CA GLU A 24 -1.362 -2.699 6.859 1.00 0.00 C ATOM 306 C GLU A 24 -0.112 -3.038 6.045 1.00 0.00 C ATOM 307 O GLU A 24 -0.157 -3.889 5.158 1.00 0.00 O ATOM 308 CB GLU A 24 -1.431 -3.543 8.134 1.00 0.00 C ATOM 309 CG GLU A 24 -1.547 -2.654 9.374 1.00 0.00 C ATOM 310 CD GLU A 24 -2.613 -3.188 10.334 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.718 -3.497 9.839 1.00 0.00 O ATOM 312 OE2 GLU A 24 -2.297 -3.276 11.540 1.00 0.00 O ATOM 0 H GLU A 24 -2.425 -3.459 5.220 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.304 -1.652 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.287 -4.216 8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.540 -4.166 8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.585 -2.607 9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.799 -1.637 9.074 1.00 0.00 H new ATOM 319 N LEU A 25 0.974 -2.354 6.375 1.00 0.00 N ATOM 320 CA LEU A 25 2.234 -2.572 5.685 1.00 0.00 C ATOM 321 C LEU A 25 3.134 -3.462 6.545 1.00 0.00 C ATOM 322 O LEU A 25 3.623 -3.032 7.589 1.00 0.00 O ATOM 323 CB LEU A 25 2.874 -1.236 5.304 1.00 0.00 C ATOM 324 CG LEU A 25 2.226 -0.492 4.134 1.00 0.00 C ATOM 325 CD1 LEU A 25 2.213 -1.358 2.873 1.00 0.00 C ATOM 326 CD2 LEU A 25 0.826 0.001 4.506 1.00 0.00 C ATOM 0 H LEU A 25 1.007 -1.649 7.111 1.00 0.00 H new ATOM 0 HA LEU A 25 2.068 -3.099 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.856 -0.585 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.921 -1.414 5.060 1.00 0.00 H new ATOM 0 HG LEU A 25 2.829 0.389 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.747 -0.806 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.236 -1.617 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.647 -2.270 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.388 0.526 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.198 -0.850 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.893 0.679 5.357 1.00 0.00 H new ATOM 338 N THR A 26 3.325 -4.685 6.075 1.00 0.00 N ATOM 339 CA THR A 26 4.158 -5.639 6.788 1.00 0.00 C ATOM 340 C THR A 26 5.254 -6.182 5.869 1.00 0.00 C ATOM 341 O THR A 26 4.963 -6.852 4.879 1.00 0.00 O ATOM 342 CB THR A 26 3.248 -6.729 7.358 1.00 0.00 C ATOM 343 OG1 THR A 26 2.531 -7.210 6.224 1.00 0.00 O ATOM 344 CG2 THR A 26 2.160 -6.163 8.273 1.00 0.00 C ATOM 0 H THR A 26 2.917 -5.038 5.209 1.00 0.00 H new ATOM 0 HA THR A 26 4.680 -5.164 7.619 1.00 0.00 H new ATOM 0 HB THR A 26 3.849 -7.451 7.911 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.102 -7.156 5.429 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.542 -6.978 8.651 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.624 -5.641 9.110 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.538 -5.466 7.711 1.00 0.00 H new ATOM 352 N ASP A 27 6.491 -5.873 6.229 1.00 0.00 N ATOM 353 CA ASP A 27 7.632 -6.322 5.449 1.00 0.00 C ATOM 354 C ASP A 27 8.807 -6.603 6.387 1.00 0.00 C ATOM 355 O ASP A 27 8.772 -6.234 7.560 1.00 0.00 O ATOM 356 CB ASP A 27 8.071 -5.251 4.449 1.00 0.00 C ATOM 357 CG ASP A 27 9.039 -4.205 5.005 1.00 0.00 C ATOM 358 OD1 ASP A 27 8.829 -3.799 6.168 1.00 0.00 O ATOM 359 OD2 ASP A 27 9.968 -3.837 4.254 1.00 0.00 O ATOM 0 H ASP A 27 6.728 -5.317 7.051 1.00 0.00 H new ATOM 0 HA ASP A 27 7.338 -7.221 4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.541 -5.742 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.184 -4.740 4.074 1.00 0.00 H new ATOM 364 N GLN A 28 9.821 -7.254 5.836 1.00 0.00 N ATOM 365 CA GLN A 28 11.005 -7.589 6.609 1.00 0.00 C ATOM 366 C GLN A 28 12.269 -7.293 5.799 1.00 0.00 C ATOM 367 O GLN A 28 13.340 -7.816 6.100 1.00 0.00 O ATOM 368 CB GLN A 28 10.971 -9.051 7.058 1.00 0.00 C ATOM 369 CG GLN A 28 11.099 -9.995 5.861 1.00 0.00 C ATOM 370 CD GLN A 28 10.253 -11.254 6.062 1.00 0.00 C ATOM 371 OE1 GLN A 28 10.013 -11.701 7.172 1.00 0.00 O ATOM 372 NE2 GLN A 28 9.816 -11.799 4.931 1.00 0.00 N ATOM 0 H GLN A 28 9.847 -7.559 4.863 1.00 0.00 H new ATOM 0 HA GLN A 28 11.018 -6.968 7.505 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.782 -9.238 7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.039 -9.252 7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.783 -9.481 4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.144 -10.273 5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.054 -11.374 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.243 -12.642 4.959 1.00 0.00 H new ATOM 381 N LEU A 29 12.101 -6.454 4.786 1.00 0.00 N ATOM 382 CA LEU A 29 13.215 -6.082 3.931 1.00 0.00 C ATOM 383 C LEU A 29 13.277 -4.558 3.815 1.00 0.00 C ATOM 384 O LEU A 29 12.616 -3.847 4.571 1.00 0.00 O ATOM 385 CB LEU A 29 13.117 -6.798 2.582 1.00 0.00 C ATOM 386 CG LEU A 29 14.156 -7.891 2.326 1.00 0.00 C ATOM 387 CD1 LEU A 29 15.557 -7.421 2.722 1.00 0.00 C ATOM 388 CD2 LEU A 29 13.768 -9.193 3.031 1.00 0.00 C ATOM 0 H LEU A 29 11.211 -6.022 4.539 1.00 0.00 H new ATOM 0 HA LEU A 29 14.158 -6.407 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.125 -7.241 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.200 -6.053 1.791 1.00 0.00 H new ATOM 0 HG LEU A 29 14.177 -8.098 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.276 -8.217 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.825 -6.541 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.570 -7.169 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.523 -9.953 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.701 -9.019 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.803 -9.535 2.658 1.00 0.00 H new ATOM 400 N ASP A 30 14.078 -4.101 2.864 1.00 0.00 N ATOM 401 CA ASP A 30 14.235 -2.674 2.640 1.00 0.00 C ATOM 402 C ASP A 30 13.871 -2.346 1.190 1.00 0.00 C ATOM 403 O ASP A 30 13.235 -1.329 0.920 1.00 0.00 O ATOM 404 CB ASP A 30 15.681 -2.235 2.875 1.00 0.00 C ATOM 405 CG ASP A 30 15.978 -1.714 4.283 1.00 0.00 C ATOM 406 OD1 ASP A 30 16.301 -2.560 5.144 1.00 0.00 O ATOM 407 OD2 ASP A 30 15.875 -0.482 4.465 1.00 0.00 O ATOM 0 H ASP A 30 14.625 -4.694 2.240 1.00 0.00 H new ATOM 0 HA ASP A 30 13.581 -2.150 3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.339 -3.079 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.930 -1.455 2.155 1.00 0.00 H new ATOM 412 N LYS A 31 14.292 -3.228 0.295 1.00 0.00 N ATOM 413 CA LYS A 31 14.019 -3.046 -1.121 1.00 0.00 C ATOM 414 C LYS A 31 12.615 -2.463 -1.294 1.00 0.00 C ATOM 415 O LYS A 31 12.449 -1.398 -1.887 1.00 0.00 O ATOM 416 CB LYS A 31 14.240 -4.354 -1.882 1.00 0.00 C ATOM 417 CG LYS A 31 15.725 -4.571 -2.181 1.00 0.00 C ATOM 418 CD LYS A 31 16.194 -3.658 -3.315 1.00 0.00 C ATOM 419 CE LYS A 31 16.441 -4.458 -4.596 1.00 0.00 C ATOM 420 NZ LYS A 31 17.827 -4.255 -5.075 1.00 0.00 N ATOM 0 H LYS A 31 14.820 -4.070 0.523 1.00 0.00 H new ATOM 0 HA LYS A 31 14.718 -2.331 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.858 -5.189 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.677 -4.336 -2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.313 -4.375 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.897 -5.612 -2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.444 -2.889 -3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.110 -3.146 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.266 -5.518 -4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.735 -4.149 -5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 17.978 -4.805 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.982 -3.246 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.497 -4.572 -4.345 1.00 0.00 H new ATOM 434 N SER A 32 11.639 -3.187 -0.765 1.00 0.00 N ATOM 435 CA SER A 32 10.254 -2.755 -0.854 1.00 0.00 C ATOM 436 C SER A 32 9.480 -3.224 0.379 1.00 0.00 C ATOM 437 O SER A 32 10.037 -3.892 1.249 1.00 0.00 O ATOM 438 CB SER A 32 9.593 -3.283 -2.129 1.00 0.00 C ATOM 439 OG SER A 32 9.776 -2.399 -3.231 1.00 0.00 O ATOM 0 H SER A 32 11.780 -4.070 -0.273 1.00 0.00 H new ATOM 0 HA SER A 32 10.237 -1.666 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.009 -4.260 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.527 -3.426 -1.952 1.00 0.00 H new ATOM 0 HG SER A 32 10.595 -1.877 -3.099 1.00 0.00 H new ATOM 445 N VAL A 33 8.208 -2.856 0.415 1.00 0.00 N ATOM 446 CA VAL A 33 7.351 -3.231 1.527 1.00 0.00 C ATOM 447 C VAL A 33 6.112 -3.951 0.991 1.00 0.00 C ATOM 448 O VAL A 33 5.527 -3.529 -0.006 1.00 0.00 O ATOM 449 CB VAL A 33 7.010 -1.997 2.364 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.232 -0.971 1.536 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.235 -2.386 3.624 1.00 0.00 C ATOM 0 H VAL A 33 7.750 -2.302 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 33 7.868 -3.924 2.190 1.00 0.00 H new ATOM 0 HB VAL A 33 7.946 -1.535 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.002 -0.103 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.835 -0.659 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.304 -1.419 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.005 -1.490 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.307 -2.884 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.839 -3.062 4.229 1.00 0.00 H new ATOM 461 N GLN A 34 5.748 -5.025 1.676 1.00 0.00 N ATOM 462 CA GLN A 34 4.590 -5.808 1.281 1.00 0.00 C ATOM 463 C GLN A 34 3.319 -5.228 1.906 1.00 0.00 C ATOM 464 O GLN A 34 3.254 -5.031 3.119 1.00 0.00 O ATOM 465 CB GLN A 34 4.766 -7.279 1.662 1.00 0.00 C ATOM 466 CG GLN A 34 3.520 -8.091 1.303 1.00 0.00 C ATOM 467 CD GLN A 34 3.891 -9.528 0.928 1.00 0.00 C ATOM 468 OE1 GLN A 34 3.496 -9.888 -0.290 1.00 0.00 O flip ATOM 469 NE2 GLN A 34 4.496 -10.260 1.694 1.00 0.00 N flip ATOM 0 H GLN A 34 6.235 -5.371 2.503 1.00 0.00 H new ATOM 0 HA GLN A 34 4.495 -5.757 0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.634 -7.691 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.962 -7.361 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.831 -8.098 2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.000 -7.617 0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.770 -9.919 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.728 -11.213 1.413 1.00 0.00 H new ATOM 478 N LEU A 35 2.341 -4.971 1.050 1.00 0.00 N ATOM 479 CA LEU A 35 1.076 -4.417 1.504 1.00 0.00 C ATOM 480 C LEU A 35 0.047 -5.542 1.627 1.00 0.00 C ATOM 481 O LEU A 35 -0.337 -6.149 0.629 1.00 0.00 O ATOM 482 CB LEU A 35 0.632 -3.275 0.587 1.00 0.00 C ATOM 483 CG LEU A 35 -0.760 -2.701 0.858 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.713 -1.650 1.969 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.385 -2.150 -0.425 1.00 0.00 C ATOM 0 H LEU A 35 2.399 -5.136 0.045 1.00 0.00 H new ATOM 0 HA LEU A 35 1.186 -3.976 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.359 -2.467 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.663 -3.630 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.401 -3.511 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.715 -1.258 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.339 -2.106 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.051 -0.836 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.374 -1.748 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.753 -1.358 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.474 -2.951 -1.159 1.00 0.00 H new ATOM 497 N SER A 36 -0.370 -5.787 2.861 1.00 0.00 N ATOM 498 CA SER A 36 -1.347 -6.829 3.128 1.00 0.00 C ATOM 499 C SER A 36 -2.750 -6.223 3.206 1.00 0.00 C ATOM 500 O SER A 36 -2.982 -5.282 3.965 1.00 0.00 O ATOM 501 CB SER A 36 -1.018 -7.574 4.423 1.00 0.00 C ATOM 502 OG SER A 36 0.271 -8.181 4.377 1.00 0.00 O ATOM 0 H SER A 36 -0.049 -5.282 3.687 1.00 0.00 H new ATOM 0 HA SER A 36 -1.313 -7.547 2.309 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.062 -6.880 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.773 -8.339 4.603 1.00 0.00 H new ATOM 0 HG SER A 36 0.861 -7.746 5.028 1.00 0.00 H new ATOM 508 N TRP A 37 -3.648 -6.786 2.412 1.00 0.00 N ATOM 509 CA TRP A 37 -5.022 -6.313 2.382 1.00 0.00 C ATOM 510 C TRP A 37 -5.943 -7.522 2.554 1.00 0.00 C ATOM 511 O TRP A 37 -5.524 -8.660 2.345 1.00 0.00 O ATOM 512 CB TRP A 37 -5.303 -5.525 1.101 1.00 0.00 C ATOM 513 CG TRP A 37 -5.093 -6.331 -0.183 1.00 0.00 C ATOM 514 CD1 TRP A 37 -5.943 -7.185 -0.769 1.00 0.00 C ATOM 515 CD2 TRP A 37 -3.918 -6.322 -1.022 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.405 -7.725 -1.919 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.134 -7.184 -2.077 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.713 -5.610 -0.892 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.190 -7.414 -3.085 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.780 -5.851 -1.907 1.00 0.00 C ATOM 521 CH2 TRP A 37 -1.981 -6.715 -2.976 1.00 0.00 C ATOM 0 H TRP A 37 -3.451 -7.566 1.784 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.207 -5.616 3.199 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.331 -5.163 1.127 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.657 -4.648 1.077 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.926 -7.421 -0.389 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.857 -8.397 -2.539 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.522 -4.931 -0.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.383 -8.093 -3.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.837 -5.328 -1.855 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.209 -6.847 -3.719 1.00 0.00 H new ATOM 532 N THR A 38 -7.179 -7.236 2.934 1.00 0.00 N ATOM 533 CA THR A 38 -8.162 -8.286 3.136 1.00 0.00 C ATOM 534 C THR A 38 -9.424 -8.001 2.319 1.00 0.00 C ATOM 535 O THR A 38 -10.179 -7.083 2.636 1.00 0.00 O ATOM 536 CB THR A 38 -8.426 -8.403 4.639 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.215 -8.942 5.163 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.479 -9.464 4.968 1.00 0.00 C ATOM 0 H THR A 38 -7.522 -6.291 3.107 1.00 0.00 H new ATOM 0 HA THR A 38 -7.792 -9.247 2.779 1.00 0.00 H new ATOM 0 HB THR A 38 -8.750 -7.437 5.027 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.298 -9.049 6.134 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.628 -9.506 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.420 -9.206 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.140 -10.436 4.610 1.00 0.00 H new ATOM 546 N PRO A 39 -9.617 -8.825 1.255 1.00 0.00 N ATOM 547 CA PRO A 39 -10.774 -8.671 0.389 1.00 0.00 C ATOM 548 C PRO A 39 -12.041 -9.193 1.069 1.00 0.00 C ATOM 549 O PRO A 39 -12.212 -10.401 1.228 1.00 0.00 O ATOM 550 CB PRO A 39 -10.422 -9.433 -0.878 1.00 0.00 C ATOM 551 CG PRO A 39 -9.286 -10.369 -0.499 1.00 0.00 C ATOM 552 CD PRO A 39 -8.744 -9.922 0.849 1.00 0.00 C ATOM 0 HA PRO A 39 -10.993 -7.628 0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.281 -9.992 -1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.118 -8.751 -1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.641 -11.398 -0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.501 -10.342 -1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.767 -10.735 1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.707 -9.594 0.770 1.00 0.00 H new ATOM 560 N GLY A 40 -12.898 -8.257 1.453 1.00 0.00 N ATOM 561 CA GLY A 40 -14.144 -8.608 2.112 1.00 0.00 C ATOM 562 C GLY A 40 -15.031 -9.453 1.194 1.00 0.00 C ATOM 563 O GLY A 40 -14.531 -10.269 0.421 1.00 0.00 O ATOM 0 H GLY A 40 -12.753 -7.256 1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.932 -9.160 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.674 -7.701 2.402 1.00 0.00 H new ATOM 567 N ASP A 41 -16.331 -9.228 1.310 1.00 0.00 N ATOM 568 CA ASP A 41 -17.292 -9.958 0.501 1.00 0.00 C ATOM 569 C ASP A 41 -16.971 -9.745 -0.980 1.00 0.00 C ATOM 570 O ASP A 41 -16.367 -8.739 -1.350 1.00 0.00 O ATOM 571 CB ASP A 41 -18.716 -9.459 0.753 1.00 0.00 C ATOM 572 CG ASP A 41 -19.144 -9.440 2.221 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.775 -8.462 2.907 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.831 -10.403 2.625 1.00 0.00 O ATOM 0 H ASP A 41 -16.742 -8.550 1.952 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.227 -11.012 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.808 -8.450 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.410 -10.089 0.196 1.00 0.00 H new ATOM 579 N ASP A 42 -17.390 -10.708 -1.788 1.00 0.00 N ATOM 580 CA ASP A 42 -17.155 -10.638 -3.220 1.00 0.00 C ATOM 581 C ASP A 42 -18.463 -10.285 -3.931 1.00 0.00 C ATOM 582 O ASP A 42 -18.454 -9.886 -5.094 1.00 0.00 O ATOM 583 CB ASP A 42 -16.669 -11.983 -3.765 1.00 0.00 C ATOM 584 CG ASP A 42 -15.796 -12.792 -2.804 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.741 -12.253 -2.405 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.204 -13.931 -2.490 1.00 0.00 O ATOM 0 H ASP A 42 -17.891 -11.541 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.393 -9.879 -3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.537 -12.583 -4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.106 -11.805 -4.681 1.00 0.00 H new ATOM 591 N ASN A 43 -19.558 -10.445 -3.201 1.00 0.00 N ATOM 592 CA ASN A 43 -20.871 -10.148 -3.747 1.00 0.00 C ATOM 593 C ASN A 43 -21.128 -11.044 -4.961 1.00 0.00 C ATOM 594 O ASN A 43 -21.210 -10.559 -6.088 1.00 0.00 O ATOM 595 CB ASN A 43 -20.960 -8.692 -4.206 1.00 0.00 C ATOM 596 CG ASN A 43 -20.963 -7.738 -3.010 1.00 0.00 C ATOM 597 OD1 ASN A 43 -20.067 -8.041 -2.075 1.00 0.00 O flip ATOM 598 ND2 ASN A 43 -21.729 -6.791 -2.940 1.00 0.00 N flip ATOM 0 H ASN A 43 -19.562 -10.776 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.610 -10.325 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.118 -8.461 -4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.867 -8.547 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.393 -6.615 -3.694 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.706 -6.175 -2.127 1.00 0.00 H new ATOM 605 N ASN A 44 -21.248 -12.335 -4.689 1.00 0.00 N ATOM 606 CA ASN A 44 -21.495 -13.302 -5.744 1.00 0.00 C ATOM 607 C ASN A 44 -20.260 -13.395 -6.644 1.00 0.00 C ATOM 608 O ASN A 44 -19.653 -14.458 -6.763 1.00 0.00 O ATOM 609 CB ASN A 44 -22.682 -12.880 -6.613 1.00 0.00 C ATOM 610 CG ASN A 44 -23.982 -12.890 -5.806 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.511 -11.684 -5.618 1.00 0.00 O flip ATOM 612 ND2 ASN A 44 -24.472 -13.924 -5.383 1.00 0.00 N flip ATOM 0 H ASN A 44 -21.179 -12.734 -3.753 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.714 -14.262 -5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.507 -11.882 -7.015 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.773 -13.555 -7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -24.013 -14.817 -5.564 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -25.340 -13.896 -4.849 1.00 0.00 H new ATOM 619 N SER A 45 -19.926 -12.267 -7.253 1.00 0.00 N ATOM 620 CA SER A 45 -18.775 -12.207 -8.137 1.00 0.00 C ATOM 621 C SER A 45 -17.483 -12.259 -7.319 1.00 0.00 C ATOM 622 O SER A 45 -17.209 -11.359 -6.527 1.00 0.00 O ATOM 623 CB SER A 45 -18.807 -10.943 -8.999 1.00 0.00 C ATOM 624 OG SER A 45 -19.593 -11.118 -10.174 1.00 0.00 O ATOM 0 H SER A 45 -20.432 -11.387 -7.152 1.00 0.00 H new ATOM 0 HA SER A 45 -18.811 -13.069 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.209 -10.115 -8.414 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.790 -10.670 -9.281 1.00 0.00 H new ATOM 0 HG SER A 45 -20.489 -11.426 -9.925 1.00 0.00 H new ATOM 630 N PRO A 46 -16.703 -13.350 -7.545 1.00 0.00 N ATOM 631 CA PRO A 46 -15.446 -13.531 -6.838 1.00 0.00 C ATOM 632 C PRO A 46 -14.366 -12.601 -7.394 1.00 0.00 C ATOM 633 O PRO A 46 -14.353 -12.301 -8.587 1.00 0.00 O ATOM 634 CB PRO A 46 -15.108 -15.003 -7.009 1.00 0.00 C ATOM 635 CG PRO A 46 -15.937 -15.488 -8.187 1.00 0.00 C ATOM 636 CD PRO A 46 -16.995 -14.436 -8.476 1.00 0.00 C ATOM 0 HA PRO A 46 -15.516 -13.272 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.043 -15.140 -7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.346 -15.566 -6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.304 -15.643 -9.061 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.404 -16.446 -7.957 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.943 -14.096 -9.510 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.999 -14.831 -8.321 1.00 0.00 H new ATOM 644 N ILE A 47 -13.485 -12.171 -6.502 1.00 0.00 N ATOM 645 CA ILE A 47 -12.403 -11.281 -6.888 1.00 0.00 C ATOM 646 C ILE A 47 -11.532 -11.971 -7.940 1.00 0.00 C ATOM 647 O ILE A 47 -11.313 -13.180 -7.875 1.00 0.00 O ATOM 648 CB ILE A 47 -11.626 -10.816 -5.655 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.701 -9.296 -5.501 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.181 -11.317 -5.697 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.153 -8.591 -6.743 1.00 0.00 C ATOM 0 H ILE A 47 -13.499 -12.422 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.800 -10.375 -7.346 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.093 -11.253 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.735 -8.995 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.133 -8.987 -4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.651 -10.973 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.174 -12.407 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.687 -10.929 -6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.218 -7.511 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.112 -8.876 -6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.738 -8.883 -7.615 1.00 0.00 H new ATOM 663 N THR A 48 -11.058 -11.173 -8.886 1.00 0.00 N ATOM 664 CA THR A 48 -10.216 -11.692 -9.950 1.00 0.00 C ATOM 665 C THR A 48 -8.897 -10.919 -10.011 1.00 0.00 C ATOM 666 O THR A 48 -7.859 -11.483 -10.355 1.00 0.00 O ATOM 667 CB THR A 48 -11.014 -11.634 -11.255 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.189 -10.241 -11.494 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.439 -12.167 -11.093 1.00 0.00 C ATOM 0 H THR A 48 -11.241 -10.171 -8.937 1.00 0.00 H new ATOM 0 HA THR A 48 -9.941 -12.730 -9.766 1.00 0.00 H new ATOM 0 HB THR A 48 -10.496 -12.209 -12.023 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.652 -9.834 -10.732 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.962 -12.104 -12.047 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.404 -13.206 -10.767 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.968 -11.571 -10.349 1.00 0.00 H new ATOM 677 N LYS A 49 -8.980 -9.642 -9.670 1.00 0.00 N ATOM 678 CA LYS A 49 -7.805 -8.786 -9.681 1.00 0.00 C ATOM 679 C LYS A 49 -7.869 -7.825 -8.493 1.00 0.00 C ATOM 680 O LYS A 49 -8.942 -7.580 -7.944 1.00 0.00 O ATOM 681 CB LYS A 49 -7.667 -8.084 -11.033 1.00 0.00 C ATOM 682 CG LYS A 49 -7.105 -6.671 -10.862 1.00 0.00 C ATOM 683 CD LYS A 49 -6.895 -5.996 -12.219 1.00 0.00 C ATOM 684 CE LYS A 49 -8.232 -5.752 -12.923 1.00 0.00 C ATOM 685 NZ LYS A 49 -8.167 -6.205 -14.331 1.00 0.00 N ATOM 0 H LYS A 49 -9.843 -9.179 -9.384 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.899 -9.380 -9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.011 -8.664 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.640 -8.036 -11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.788 -6.075 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.158 -6.715 -10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.374 -5.048 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.259 -6.621 -12.846 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.027 -6.283 -12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.480 -4.691 -12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.082 -6.032 -14.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.422 -5.679 -14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.952 -7.222 -14.359 1.00 0.00 H new ATOM 699 N PHE A 50 -6.705 -7.306 -8.130 1.00 0.00 N ATOM 700 CA PHE A 50 -6.614 -6.377 -7.016 1.00 0.00 C ATOM 701 C PHE A 50 -5.722 -5.185 -7.368 1.00 0.00 C ATOM 702 O PHE A 50 -4.501 -5.318 -7.437 1.00 0.00 O ATOM 703 CB PHE A 50 -5.989 -7.140 -5.847 1.00 0.00 C ATOM 704 CG PHE A 50 -6.989 -7.974 -5.043 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.145 -7.411 -4.601 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.721 -9.280 -4.771 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.072 -8.186 -3.855 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.648 -10.054 -4.025 1.00 0.00 C ATOM 709 CZ PHE A 50 -8.805 -9.491 -3.583 1.00 0.00 C ATOM 0 H PHE A 50 -5.817 -7.511 -8.588 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.604 -5.994 -6.768 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.209 -7.797 -6.231 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.505 -6.428 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.358 -6.375 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.803 -9.728 -5.123 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.990 -7.738 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.435 -11.090 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.511 -10.080 -3.016 1.00 0.00 H new ATOM 719 N ILE A 51 -6.365 -4.047 -7.581 1.00 0.00 N ATOM 720 CA ILE A 51 -5.645 -2.832 -7.923 1.00 0.00 C ATOM 721 C ILE A 51 -5.242 -2.104 -6.639 1.00 0.00 C ATOM 722 O ILE A 51 -5.879 -2.271 -5.600 1.00 0.00 O ATOM 723 CB ILE A 51 -6.469 -1.973 -8.885 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.662 -2.684 -10.226 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.844 -0.587 -9.055 1.00 0.00 C ATOM 726 CD1 ILE A 51 -8.147 -2.893 -10.527 1.00 0.00 C ATOM 0 H ILE A 51 -7.378 -3.940 -7.523 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.725 -3.072 -8.456 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.459 -1.828 -8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.205 -2.096 -11.022 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.152 -3.647 -10.208 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.449 0.003 -9.743 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.802 -0.086 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.835 -0.689 -9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.256 -3.400 -11.486 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.595 -3.501 -9.741 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.649 -1.927 -10.569 1.00 0.00 H new ATOM 738 N ILE A 52 -4.187 -1.311 -6.753 1.00 0.00 N ATOM 739 CA ILE A 52 -3.692 -0.556 -5.614 1.00 0.00 C ATOM 740 C ILE A 52 -3.470 0.899 -6.029 1.00 0.00 C ATOM 741 O ILE A 52 -3.314 1.194 -7.213 1.00 0.00 O ATOM 742 CB ILE A 52 -2.446 -1.225 -5.029 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.807 -2.533 -4.321 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.690 -0.265 -4.108 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.051 -3.714 -4.933 1.00 0.00 C ATOM 0 H ILE A 52 -3.661 -1.175 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.430 -0.550 -4.812 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.776 -1.478 -5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.569 -2.454 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.881 -2.706 -4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.809 -0.765 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.382 0.614 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.340 0.040 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.325 -4.631 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.310 -3.805 -5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.978 -3.549 -4.836 1.00 0.00 H new ATOM 757 N GLU A 53 -3.464 1.771 -5.032 1.00 0.00 N ATOM 758 CA GLU A 53 -3.264 3.189 -5.279 1.00 0.00 C ATOM 759 C GLU A 53 -2.678 3.867 -4.038 1.00 0.00 C ATOM 760 O GLU A 53 -2.792 3.346 -2.930 1.00 0.00 O ATOM 761 CB GLU A 53 -4.571 3.861 -5.705 1.00 0.00 C ATOM 762 CG GLU A 53 -4.793 3.722 -7.212 1.00 0.00 C ATOM 763 CD GLU A 53 -5.936 4.624 -7.683 1.00 0.00 C ATOM 764 OE1 GLU A 53 -5.758 5.858 -7.595 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.961 4.059 -8.121 1.00 0.00 O ATOM 0 H GLU A 53 -3.594 1.523 -4.051 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.554 3.298 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.407 3.412 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.547 4.916 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.877 3.981 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.020 2.684 -7.456 1.00 0.00 H new ATOM 772 N TYR A 54 -2.064 5.018 -4.267 1.00 0.00 N ATOM 773 CA TYR A 54 -1.460 5.772 -3.182 1.00 0.00 C ATOM 774 C TYR A 54 -1.577 7.278 -3.428 1.00 0.00 C ATOM 775 O TYR A 54 -1.778 7.711 -4.562 1.00 0.00 O ATOM 776 CB TYR A 54 0.020 5.384 -3.171 1.00 0.00 C ATOM 777 CG TYR A 54 0.866 6.124 -4.209 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.467 7.322 -3.882 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.027 5.593 -5.473 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.263 8.019 -4.860 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.823 6.290 -6.450 1.00 0.00 C ATOM 782 CZ TYR A 54 2.401 7.468 -6.095 1.00 0.00 C ATOM 783 OH TYR A 54 3.153 8.126 -7.019 1.00 0.00 O ATOM 0 H TYR A 54 -1.972 5.447 -5.188 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.958 5.550 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.428 5.578 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.105 4.312 -3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.341 7.737 -2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.556 4.655 -5.729 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.739 8.958 -4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.958 5.886 -7.442 1.00 0.00 H new ATOM 0 HH TYR A 54 3.164 7.615 -7.855 1.00 0.00 H new ATOM 793 N GLU A 55 -1.447 8.034 -2.348 1.00 0.00 N ATOM 794 CA GLU A 55 -1.537 9.482 -2.433 1.00 0.00 C ATOM 795 C GLU A 55 -0.424 10.131 -1.608 1.00 0.00 C ATOM 796 O GLU A 55 0.022 9.569 -0.609 1.00 0.00 O ATOM 797 CB GLU A 55 -2.913 9.973 -1.980 1.00 0.00 C ATOM 798 CG GLU A 55 -3.088 9.799 -0.470 1.00 0.00 C ATOM 799 CD GLU A 55 -3.111 11.154 0.240 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.035 11.788 0.287 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.204 11.525 0.719 1.00 0.00 O ATOM 0 H GLU A 55 -1.280 7.671 -1.409 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.409 9.775 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.033 11.023 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.691 9.420 -2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.015 9.263 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.275 9.191 -0.074 1.00 0.00 H new ATOM 808 N ASP A 56 -0.007 11.306 -2.056 1.00 0.00 N ATOM 809 CA ASP A 56 1.045 12.038 -1.372 1.00 0.00 C ATOM 810 C ASP A 56 0.418 13.125 -0.496 1.00 0.00 C ATOM 811 O ASP A 56 -0.072 14.132 -1.005 1.00 0.00 O ATOM 812 CB ASP A 56 1.981 12.720 -2.372 1.00 0.00 C ATOM 813 CG ASP A 56 3.323 13.175 -1.795 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.297 13.752 -0.686 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.344 12.937 -2.475 1.00 0.00 O ATOM 0 H ASP A 56 -0.379 11.769 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 56 1.613 11.328 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.171 12.032 -3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.470 13.587 -2.792 1.00 0.00 H new ATOM 820 N ALA A 57 0.453 12.883 0.806 1.00 0.00 N ATOM 821 CA ALA A 57 -0.105 13.828 1.758 1.00 0.00 C ATOM 822 C ALA A 57 0.901 14.954 2.004 1.00 0.00 C ATOM 823 O ALA A 57 0.547 16.002 2.541 1.00 0.00 O ATOM 824 CB ALA A 57 -0.484 13.093 3.046 1.00 0.00 C ATOM 0 H ALA A 57 0.859 12.046 1.224 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.014 14.280 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.903 13.802 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.224 12.324 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.404 12.628 3.474 1.00 0.00 H new ATOM 830 N MET A 58 2.137 14.698 1.598 1.00 0.00 N ATOM 831 CA MET A 58 3.197 15.677 1.768 1.00 0.00 C ATOM 832 C MET A 58 3.226 16.662 0.597 1.00 0.00 C ATOM 833 O MET A 58 3.832 17.729 0.694 1.00 0.00 O ATOM 834 CB MET A 58 4.545 14.958 1.863 1.00 0.00 C ATOM 835 CG MET A 58 5.662 15.935 2.235 1.00 0.00 C ATOM 836 SD MET A 58 6.503 15.371 3.705 1.00 0.00 S ATOM 837 CE MET A 58 7.277 13.893 3.071 1.00 0.00 C ATOM 0 H MET A 58 2.427 13.828 1.152 1.00 0.00 H new ATOM 0 HA MET A 58 3.007 16.236 2.684 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.487 14.165 2.609 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.776 14.482 0.910 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.371 16.021 1.411 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.246 16.929 2.403 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.979 13.037 3.677 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.965 13.733 2.039 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.361 14.005 3.109 1.00 0.00 H new ATOM 847 N HIS A 59 2.564 16.270 -0.481 1.00 0.00 N ATOM 848 CA HIS A 59 2.506 17.106 -1.668 1.00 0.00 C ATOM 849 C HIS A 59 1.048 17.446 -1.986 1.00 0.00 C ATOM 850 O HIS A 59 0.603 18.568 -1.746 1.00 0.00 O ATOM 851 CB HIS A 59 3.226 16.436 -2.840 1.00 0.00 C ATOM 852 CG HIS A 59 4.732 16.524 -2.766 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.561 15.453 -3.052 1.00 0.00 N ATOM 854 CD2 HIS A 59 5.549 17.566 -2.438 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.817 15.844 -2.898 1.00 0.00 C ATOM 856 NE2 HIS A 59 6.808 17.154 -2.517 1.00 0.00 N ATOM 0 H HIS A 59 2.063 15.385 -0.558 1.00 0.00 H new ATOM 0 HA HIS A 59 3.030 18.044 -1.482 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.935 15.386 -2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.891 16.895 -3.770 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.256 14.521 -3.333 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.226 18.559 -2.161 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.695 15.233 -3.048 1.00 0.00 H new ATOM 864 N LYS A 60 0.346 16.458 -2.519 1.00 0.00 N ATOM 865 CA LYS A 60 -1.052 16.639 -2.872 1.00 0.00 C ATOM 866 C LYS A 60 -1.881 15.516 -2.244 1.00 0.00 C ATOM 867 O LYS A 60 -1.954 14.415 -2.788 1.00 0.00 O ATOM 868 CB LYS A 60 -1.213 16.747 -4.390 1.00 0.00 C ATOM 869 CG LYS A 60 -0.774 18.124 -4.891 1.00 0.00 C ATOM 870 CD LYS A 60 -1.591 18.549 -6.113 1.00 0.00 C ATOM 871 CE LYS A 60 -0.767 18.419 -7.395 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.046 19.680 -7.678 1.00 0.00 N ATOM 0 H LYS A 60 0.719 15.529 -2.715 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.428 17.579 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.621 15.973 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.254 16.572 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.894 18.859 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.285 18.101 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.487 17.933 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.923 19.580 -5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.054 17.600 -7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.421 18.172 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.508 19.574 -8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.732 20.453 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.593 19.900 -6.887 1.00 0.00 H new ATOM 886 N PRO A 61 -2.501 15.843 -1.079 1.00 0.00 N ATOM 887 CA PRO A 61 -3.322 14.875 -0.371 1.00 0.00 C ATOM 888 C PRO A 61 -4.668 14.680 -1.073 1.00 0.00 C ATOM 889 O PRO A 61 -5.318 15.652 -1.456 1.00 0.00 O ATOM 890 CB PRO A 61 -3.461 15.431 1.037 1.00 0.00 C ATOM 891 CG PRO A 61 -3.108 16.906 0.939 1.00 0.00 C ATOM 892 CD PRO A 61 -2.437 17.137 -0.406 1.00 0.00 C ATOM 0 HA PRO A 61 -2.876 13.881 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.476 15.296 1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.795 14.915 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.004 17.520 1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.442 17.194 1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.953 17.907 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.406 17.469 -0.283 1.00 0.00 H new ATOM 900 N GLY A 62 -5.046 13.419 -1.220 1.00 0.00 N ATOM 901 CA GLY A 62 -6.302 13.085 -1.869 1.00 0.00 C ATOM 902 C GLY A 62 -6.066 12.578 -3.293 1.00 0.00 C ATOM 903 O GLY A 62 -6.897 11.859 -3.845 1.00 0.00 O ATOM 0 H GLY A 62 -4.504 12.616 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.823 12.323 -1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.947 13.963 -1.894 1.00 0.00 H new ATOM 907 N LEU A 63 -4.929 12.972 -3.846 1.00 0.00 N ATOM 908 CA LEU A 63 -4.573 12.567 -5.196 1.00 0.00 C ATOM 909 C LEU A 63 -4.051 11.129 -5.170 1.00 0.00 C ATOM 910 O LEU A 63 -3.014 10.851 -4.569 1.00 0.00 O ATOM 911 CB LEU A 63 -3.593 13.566 -5.815 1.00 0.00 C ATOM 912 CG LEU A 63 -4.059 14.254 -7.099 1.00 0.00 C ATOM 913 CD1 LEU A 63 -3.966 15.776 -6.970 1.00 0.00 C ATOM 914 CD2 LEU A 63 -3.285 13.733 -8.312 1.00 0.00 C ATOM 0 H LEU A 63 -4.242 13.568 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.451 12.577 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.372 14.334 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.658 13.046 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.109 14.008 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.303 16.241 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.596 16.110 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.932 16.062 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.636 14.238 -9.212 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.221 13.929 -8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.446 12.660 -8.413 1.00 0.00 H new ATOM 926 N TRP A 64 -4.794 10.252 -5.830 1.00 0.00 N ATOM 927 CA TRP A 64 -4.419 8.849 -5.890 1.00 0.00 C ATOM 928 C TRP A 64 -3.846 8.573 -7.282 1.00 0.00 C ATOM 929 O TRP A 64 -4.372 9.059 -8.282 1.00 0.00 O ATOM 930 CB TRP A 64 -5.606 7.949 -5.543 1.00 0.00 C ATOM 931 CG TRP A 64 -6.269 8.282 -4.205 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.350 9.043 -3.986 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.847 7.830 -2.901 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.654 9.114 -2.642 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.711 8.353 -1.961 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.770 7.006 -2.527 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.589 8.111 -0.588 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.661 6.774 -1.151 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.523 7.293 -0.192 1.00 0.00 C ATOM 0 H TRP A 64 -5.653 10.486 -6.327 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.655 8.621 -5.147 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.351 8.026 -6.335 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.269 6.913 -5.522 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.912 9.538 -4.764 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.429 9.630 -2.225 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.081 6.586 -3.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.279 8.532 0.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.850 6.148 -0.810 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.372 7.067 0.853 1.00 0.00 H new ATOM 950 N HIS A 65 -2.775 7.792 -7.302 1.00 0.00 N ATOM 951 CA HIS A 65 -2.125 7.445 -8.554 1.00 0.00 C ATOM 952 C HIS A 65 -2.108 5.924 -8.719 1.00 0.00 C ATOM 953 O HIS A 65 -2.028 5.190 -7.735 1.00 0.00 O ATOM 954 CB HIS A 65 -0.729 8.065 -8.632 1.00 0.00 C ATOM 955 CG HIS A 65 -0.695 9.542 -8.317 1.00 0.00 C ATOM 956 ND1 HIS A 65 -0.363 10.202 -7.171 1.00 0.00 N flip ATOM 957 CD2 HIS A 65 -1.030 10.514 -9.244 1.00 0.00 C flip ATOM 958 CE1 HIS A 65 -0.487 11.506 -7.386 1.00 0.00 C flip ATOM 959 NE2 HIS A 65 -0.901 11.701 -8.670 1.00 0.00 N flip ATOM 0 H HIS A 65 -2.342 7.390 -6.471 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.690 7.860 -9.388 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.071 7.541 -7.939 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.328 7.908 -9.633 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.069 9.767 -6.296 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.343 10.335 -10.262 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.292 12.284 -6.663 1.00 0.00 H new ATOM 967 N HIS A 66 -2.185 5.496 -9.971 1.00 0.00 N ATOM 968 CA HIS A 66 -2.180 4.076 -10.277 1.00 0.00 C ATOM 969 C HIS A 66 -0.834 3.469 -9.875 1.00 0.00 C ATOM 970 O HIS A 66 0.183 3.725 -10.517 1.00 0.00 O ATOM 971 CB HIS A 66 -2.522 3.836 -11.749 1.00 0.00 C ATOM 972 CG HIS A 66 -3.307 2.571 -12.000 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.947 1.347 -11.464 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.437 2.354 -12.732 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.827 0.440 -11.864 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.749 1.066 -12.650 1.00 0.00 N ATOM 0 H HIS A 66 -2.251 6.108 -10.785 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.954 3.573 -9.697 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.094 4.686 -12.121 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.597 3.797 -12.324 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.985 3.103 -13.285 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.816 -0.610 -11.612 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.547 0.618 -13.101 1.00 0.00 H new ATOM 984 N GLN A 67 -0.872 2.677 -8.814 1.00 0.00 N ATOM 985 CA GLN A 67 0.332 2.031 -8.318 1.00 0.00 C ATOM 986 C GLN A 67 0.576 0.719 -9.065 1.00 0.00 C ATOM 987 O GLN A 67 1.443 0.648 -9.935 1.00 0.00 O ATOM 988 CB GLN A 67 0.245 1.795 -6.809 1.00 0.00 C ATOM 989 CG GLN A 67 1.491 1.071 -6.295 1.00 0.00 C ATOM 990 CD GLN A 67 2.416 2.033 -5.547 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.959 2.973 -6.105 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.565 1.746 -4.257 1.00 0.00 N ATOM 0 H GLN A 67 -1.718 2.468 -8.284 1.00 0.00 H new ATOM 0 HA GLN A 67 1.178 2.693 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.136 2.749 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.643 1.206 -6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.196 0.257 -5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.027 0.623 -7.132 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.081 0.944 -3.854 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.163 2.328 -3.671 1.00 0.00 H new ATOM 1001 N THR A 68 -0.203 -0.288 -8.698 1.00 0.00 N ATOM 1002 CA THR A 68 -0.082 -1.594 -9.323 1.00 0.00 C ATOM 1003 C THR A 68 -1.248 -2.494 -8.909 1.00 0.00 C ATOM 1004 O THR A 68 -1.897 -2.247 -7.893 1.00 0.00 O ATOM 1005 CB THR A 68 1.288 -2.169 -8.956 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.350 -3.401 -9.668 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.375 -2.583 -7.486 1.00 0.00 C ATOM 0 H THR A 68 -0.920 -0.226 -7.976 1.00 0.00 H new ATOM 0 HA THR A 68 -0.140 -1.519 -10.409 1.00 0.00 H new ATOM 0 HB THR A 68 2.060 -1.431 -9.171 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.208 -3.840 -9.488 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.367 -2.984 -7.279 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.195 -1.715 -6.852 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.625 -3.346 -7.278 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.480 -3.518 -9.716 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.556 -4.456 -9.447 1.00 0.00 C ATOM 1017 C GLU A 69 -2.014 -5.886 -9.393 1.00 0.00 C ATOM 1018 O GLU A 69 -0.883 -6.140 -9.803 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.667 -4.330 -10.491 1.00 0.00 C ATOM 1020 CG GLU A 69 -3.098 -4.404 -11.909 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.429 -5.757 -12.162 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.972 -6.762 -11.654 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.390 -5.756 -12.856 1.00 0.00 O ATOM 0 H GLU A 69 -0.940 -3.719 -10.558 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.987 -4.215 -8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.398 -5.125 -10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.193 -3.385 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.897 -4.248 -12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.374 -3.603 -12.056 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.847 -6.781 -8.883 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.466 -8.179 -8.769 1.00 0.00 C ATOM 1032 C VAL A 70 -3.683 -9.060 -9.056 1.00 0.00 C ATOM 1033 O VAL A 70 -4.769 -8.553 -9.334 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.847 -8.442 -7.395 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.323 -8.537 -7.489 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.269 -7.370 -6.389 1.00 0.00 C ATOM 0 H VAL A 70 -3.785 -6.566 -8.544 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.704 -8.429 -9.507 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.221 -9.402 -7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.092 -8.724 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.050 -9.354 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.077 -7.601 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.815 -7.581 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.939 -6.392 -6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.354 -7.372 -6.289 1.00 0.00 H new ATOM 1046 N SER A 71 -3.461 -10.364 -8.979 1.00 0.00 N ATOM 1047 CA SER A 71 -4.526 -11.320 -9.226 1.00 0.00 C ATOM 1048 C SER A 71 -5.527 -11.301 -8.069 1.00 0.00 C ATOM 1049 O SER A 71 -5.288 -10.657 -7.049 1.00 0.00 O ATOM 1050 CB SER A 71 -3.966 -12.731 -9.419 1.00 0.00 C ATOM 1051 OG SER A 71 -4.234 -13.238 -10.724 1.00 0.00 O ATOM 0 H SER A 71 -2.559 -10.781 -8.749 1.00 0.00 H new ATOM 0 HA SER A 71 -5.037 -11.031 -10.145 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.890 -12.720 -9.248 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.400 -13.398 -8.675 1.00 0.00 H new ATOM 0 HG SER A 71 -3.859 -14.140 -10.808 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.626 -12.013 -8.267 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.664 -12.086 -7.253 1.00 0.00 C ATOM 1059 C GLY A 72 -7.449 -13.290 -6.334 1.00 0.00 C ATOM 1060 O GLY A 72 -8.355 -13.686 -5.602 1.00 0.00 O ATOM 0 H GLY A 72 -6.821 -12.545 -9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.666 -11.169 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.641 -12.159 -7.732 1.00 0.00 H new ATOM 1064 N THR A 73 -6.246 -13.839 -6.402 1.00 0.00 N ATOM 1065 CA THR A 73 -5.900 -14.990 -5.585 1.00 0.00 C ATOM 1066 C THR A 73 -4.921 -14.586 -4.482 1.00 0.00 C ATOM 1067 O THR A 73 -4.823 -15.260 -3.457 1.00 0.00 O ATOM 1068 CB THR A 73 -5.357 -16.081 -6.511 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.466 -16.954 -6.706 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.308 -16.959 -5.827 1.00 0.00 C ATOM 0 H THR A 73 -5.497 -13.508 -7.011 1.00 0.00 H new ATOM 0 HA THR A 73 -6.775 -15.387 -5.070 1.00 0.00 H new ATOM 0 HB THR A 73 -4.923 -15.621 -7.399 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.203 -17.690 -7.297 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.955 -17.717 -6.527 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.469 -16.341 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.751 -17.446 -4.958 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.221 -13.489 -4.729 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.252 -12.987 -3.768 1.00 0.00 C ATOM 1080 C GLN A 74 -3.866 -11.861 -2.934 1.00 0.00 C ATOM 1081 O GLN A 74 -4.957 -11.381 -3.239 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.977 -12.517 -4.471 1.00 0.00 C ATOM 1083 CG GLN A 74 -2.173 -11.132 -5.092 1.00 0.00 C ATOM 1084 CD GLN A 74 -1.185 -10.123 -4.504 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -1.510 -9.331 -3.634 1.00 0.00 O ATOM 1086 NE2 GLN A 74 0.037 -10.194 -5.026 1.00 0.00 N ATOM 0 H GLN A 74 -4.305 -12.933 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.979 -13.801 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.154 -12.486 -3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.700 -13.231 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.038 -11.191 -6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.194 -10.792 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.242 -10.881 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.768 -9.562 -4.700 1.00 0.00 H new ATOM 1095 N THR A 75 -3.139 -11.473 -1.897 1.00 0.00 N ATOM 1096 CA THR A 75 -3.598 -10.412 -1.016 1.00 0.00 C ATOM 1097 C THR A 75 -2.407 -9.642 -0.442 1.00 0.00 C ATOM 1098 O THR A 75 -2.537 -8.955 0.570 1.00 0.00 O ATOM 1099 CB THR A 75 -4.489 -11.042 0.057 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.766 -12.196 0.475 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.790 -11.605 -0.519 1.00 0.00 C ATOM 0 H THR A 75 -2.235 -11.874 -1.647 1.00 0.00 H new ATOM 0 HA THR A 75 -4.189 -9.675 -1.559 1.00 0.00 H new ATOM 0 HB THR A 75 -4.722 -10.298 0.819 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.272 -12.664 1.172 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.385 -12.040 0.284 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.354 -10.803 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.559 -12.373 -1.257 1.00 0.00 H new ATOM 1109 N THR A 76 -1.274 -9.783 -1.113 1.00 0.00 N ATOM 1110 CA THR A 76 -0.061 -9.109 -0.683 1.00 0.00 C ATOM 1111 C THR A 76 0.814 -8.763 -1.889 1.00 0.00 C ATOM 1112 O THR A 76 1.150 -9.637 -2.688 1.00 0.00 O ATOM 1113 CB THR A 76 0.640 -10.005 0.340 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.971 -11.179 -0.397 1.00 0.00 O ATOM 1115 CG2 THR A 76 -0.310 -10.505 1.430 1.00 0.00 C ATOM 0 H THR A 76 -1.170 -10.354 -1.952 1.00 0.00 H new ATOM 0 HA THR A 76 -0.287 -8.157 -0.202 1.00 0.00 H new ATOM 0 HB THR A 76 1.462 -9.456 0.800 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.924 -11.165 -0.623 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.239 -11.136 2.129 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.732 -9.653 1.964 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.115 -11.082 0.975 1.00 0.00 H new ATOM 1123 N ALA A 77 1.160 -7.488 -1.984 1.00 0.00 N ATOM 1124 CA ALA A 77 1.989 -7.016 -3.080 1.00 0.00 C ATOM 1125 C ALA A 77 3.034 -6.039 -2.538 1.00 0.00 C ATOM 1126 O ALA A 77 2.763 -5.292 -1.599 1.00 0.00 O ATOM 1127 CB ALA A 77 1.104 -6.385 -4.156 1.00 0.00 C ATOM 0 H ALA A 77 0.881 -6.766 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 77 2.522 -7.846 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.727 -6.031 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.399 -7.128 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.555 -5.546 -3.729 1.00 0.00 H new ATOM 1133 N GLN A 78 4.207 -6.075 -3.153 1.00 0.00 N ATOM 1134 CA GLN A 78 5.294 -5.202 -2.745 1.00 0.00 C ATOM 1135 C GLN A 78 5.036 -3.773 -3.225 1.00 0.00 C ATOM 1136 O GLN A 78 4.517 -3.566 -4.321 1.00 0.00 O ATOM 1137 CB GLN A 78 6.638 -5.720 -3.262 1.00 0.00 C ATOM 1138 CG GLN A 78 7.172 -6.844 -2.373 1.00 0.00 C ATOM 1139 CD GLN A 78 8.541 -7.325 -2.858 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.566 -6.681 -2.308 1.00 0.00 O flip ATOM 1141 NE2 GLN A 78 8.658 -8.220 -3.679 1.00 0.00 N flip ATOM 0 H GLN A 78 4.428 -6.696 -3.931 1.00 0.00 H new ATOM 0 HA GLN A 78 5.339 -5.196 -1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.523 -6.083 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.359 -4.903 -3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.250 -6.493 -1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.469 -7.677 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.828 -8.673 -4.062 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.586 -8.515 -3.983 1.00 0.00 H new ATOM 1150 N LEU A 79 5.409 -2.822 -2.381 1.00 0.00 N ATOM 1151 CA LEU A 79 5.224 -1.418 -2.705 1.00 0.00 C ATOM 1152 C LEU A 79 6.585 -0.720 -2.725 1.00 0.00 C ATOM 1153 O LEU A 79 7.403 -0.921 -1.828 1.00 0.00 O ATOM 1154 CB LEU A 79 4.217 -0.775 -1.749 1.00 0.00 C ATOM 1155 CG LEU A 79 2.825 -1.411 -1.714 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.806 -0.462 -1.081 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.395 -1.866 -3.110 1.00 0.00 C ATOM 0 H LEU A 79 5.839 -2.997 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 79 4.795 -1.311 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.633 -0.803 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.108 0.275 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 79 2.871 -2.301 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.825 -0.937 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.110 -0.230 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.755 0.458 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.403 -2.314 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.370 -1.007 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.105 -2.601 -3.488 1.00 0.00 H new ATOM 1169 N ASN A 80 6.786 0.086 -3.757 1.00 0.00 N ATOM 1170 CA ASN A 80 8.034 0.815 -3.905 1.00 0.00 C ATOM 1171 C ASN A 80 7.916 2.168 -3.202 1.00 0.00 C ATOM 1172 O ASN A 80 7.212 3.059 -3.675 1.00 0.00 O ATOM 1173 CB ASN A 80 8.349 1.075 -5.380 1.00 0.00 C ATOM 1174 CG ASN A 80 8.790 -0.211 -6.081 1.00 0.00 C ATOM 1175 OD1 ASN A 80 8.228 -1.277 -5.891 1.00 0.00 O ATOM 1176 ND2 ASN A 80 9.826 -0.053 -6.900 1.00 0.00 N ATOM 0 H ASN A 80 6.105 0.250 -4.499 1.00 0.00 H new ATOM 0 HA ASN A 80 8.830 0.213 -3.467 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.468 1.481 -5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.135 1.826 -5.461 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.196 -0.852 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.251 0.867 -7.014 1.00 0.00 H new ATOM 1183 N LEU A 81 8.617 2.281 -2.083 1.00 0.00 N ATOM 1184 CA LEU A 81 8.599 3.510 -1.309 1.00 0.00 C ATOM 1185 C LEU A 81 9.933 4.239 -1.487 1.00 0.00 C ATOM 1186 O LEU A 81 10.983 3.604 -1.581 1.00 0.00 O ATOM 1187 CB LEU A 81 8.247 3.220 0.151 1.00 0.00 C ATOM 1188 CG LEU A 81 6.997 2.369 0.383 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.470 2.546 1.809 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.925 2.671 -0.666 1.00 0.00 C ATOM 0 H LEU A 81 9.201 1.541 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 81 7.818 4.178 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.096 2.718 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.116 4.170 0.668 1.00 0.00 H new ATOM 0 HG LEU A 81 7.272 1.320 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.581 1.930 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.237 2.241 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.216 3.593 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.047 2.053 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.646 3.723 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.316 2.453 -1.660 1.00 0.00 H new ATOM 1202 N SER A 82 9.849 5.560 -1.527 1.00 0.00 N ATOM 1203 CA SER A 82 11.036 6.381 -1.692 1.00 0.00 C ATOM 1204 C SER A 82 11.262 7.232 -0.440 1.00 0.00 C ATOM 1205 O SER A 82 10.329 7.483 0.321 1.00 0.00 O ATOM 1206 CB SER A 82 10.919 7.276 -2.927 1.00 0.00 C ATOM 1207 OG SER A 82 11.563 6.705 -4.063 1.00 0.00 O ATOM 0 H SER A 82 8.977 6.083 -1.448 1.00 0.00 H new ATOM 0 HA SER A 82 11.891 5.721 -1.834 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.866 7.445 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.359 8.250 -2.712 1.00 0.00 H new ATOM 0 HG SER A 82 11.465 7.306 -4.831 1.00 0.00 H new ATOM 1213 N PRO A 83 12.539 7.663 -0.261 1.00 0.00 N ATOM 1214 CA PRO A 83 12.900 8.480 0.885 1.00 0.00 C ATOM 1215 C PRO A 83 12.402 9.916 0.713 1.00 0.00 C ATOM 1216 O PRO A 83 12.467 10.472 -0.382 1.00 0.00 O ATOM 1217 CB PRO A 83 14.414 8.383 0.977 1.00 0.00 C ATOM 1218 CG PRO A 83 14.884 7.900 -0.386 1.00 0.00 C ATOM 1219 CD PRO A 83 13.670 7.386 -1.142 1.00 0.00 C ATOM 0 HA PRO A 83 12.436 8.136 1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.853 9.350 1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.714 7.689 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.360 8.712 -0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.628 7.111 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.558 7.892 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.757 6.320 -1.352 1.00 0.00 H new ATOM 1227 N TYR A 84 11.917 10.476 1.811 1.00 0.00 N ATOM 1228 CA TYR A 84 11.408 11.837 1.795 1.00 0.00 C ATOM 1229 C TYR A 84 10.163 11.947 0.913 1.00 0.00 C ATOM 1230 O TYR A 84 10.220 12.508 -0.180 1.00 0.00 O ATOM 1231 CB TYR A 84 12.522 12.697 1.194 1.00 0.00 C ATOM 1232 CG TYR A 84 13.917 12.373 1.733 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.285 12.795 2.994 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.807 11.658 0.957 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.598 12.490 3.501 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.120 11.354 1.464 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.451 11.785 2.710 1.00 0.00 C ATOM 1238 OH TYR A 84 17.691 11.497 3.189 1.00 0.00 O ATOM 0 H TYR A 84 11.866 10.012 2.718 1.00 0.00 H new ATOM 0 HA TYR A 84 11.131 12.155 2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.523 12.568 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.303 13.747 1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.588 13.354 3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.519 11.327 -0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.898 12.814 4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.826 10.796 0.867 1.00 0.00 H new ATOM 0 HH TYR A 84 18.191 10.988 2.517 1.00 0.00 H new ATOM 1248 N VAL A 85 9.067 11.404 1.421 1.00 0.00 N ATOM 1249 CA VAL A 85 7.810 11.434 0.693 1.00 0.00 C ATOM 1250 C VAL A 85 6.746 10.676 1.490 1.00 0.00 C ATOM 1251 O VAL A 85 6.805 9.452 1.604 1.00 0.00 O ATOM 1252 CB VAL A 85 8.009 10.878 -0.718 1.00 0.00 C ATOM 1253 CG1 VAL A 85 8.762 9.546 -0.682 1.00 0.00 C ATOM 1254 CG2 VAL A 85 6.670 10.731 -1.444 1.00 0.00 C ATOM 0 H VAL A 85 9.023 10.940 2.329 1.00 0.00 H new ATOM 0 HA VAL A 85 7.460 12.460 0.577 1.00 0.00 H new ATOM 0 HB VAL A 85 8.616 11.591 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.890 9.173 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.740 9.693 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.193 8.822 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.840 10.334 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.027 10.049 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.187 11.705 -1.518 1.00 0.00 H new ATOM 1264 N ASN A 86 5.797 11.434 2.020 1.00 0.00 N ATOM 1265 CA ASN A 86 4.722 10.848 2.802 1.00 0.00 C ATOM 1266 C ASN A 86 3.528 10.564 1.888 1.00 0.00 C ATOM 1267 O ASN A 86 3.195 11.375 1.025 1.00 0.00 O ATOM 1268 CB ASN A 86 4.257 11.805 3.901 1.00 0.00 C ATOM 1269 CG ASN A 86 3.387 11.079 4.929 1.00 0.00 C ATOM 1270 OD1 ASN A 86 3.676 9.972 5.354 1.00 0.00 O ATOM 1271 ND2 ASN A 86 2.307 11.760 5.302 1.00 0.00 N ATOM 0 H ASN A 86 5.750 12.448 1.923 1.00 0.00 H new ATOM 0 HA ASN A 86 5.097 9.930 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.123 12.243 4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.694 12.627 3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.662 11.360 5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.124 12.683 4.907 1.00 0.00 H new ATOM 1278 N TYR A 87 2.918 9.409 2.107 1.00 0.00 N ATOM 1279 CA TYR A 87 1.769 9.007 1.313 1.00 0.00 C ATOM 1280 C TYR A 87 1.063 7.803 1.941 1.00 0.00 C ATOM 1281 O TYR A 87 1.596 7.172 2.852 1.00 0.00 O ATOM 1282 CB TYR A 87 2.322 8.602 -0.055 1.00 0.00 C ATOM 1283 CG TYR A 87 3.701 7.943 0.002 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.916 6.864 0.836 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.730 8.426 -0.781 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.214 6.243 0.889 1.00 0.00 C ATOM 1287 CE2 TYR A 87 6.028 7.805 -0.728 1.00 0.00 C ATOM 1288 CZ TYR A 87 6.206 6.744 0.105 1.00 0.00 C ATOM 1289 OH TYR A 87 7.432 6.158 0.155 1.00 0.00 O ATOM 0 H TYR A 87 3.197 8.738 2.823 1.00 0.00 H new ATOM 0 HA TYR A 87 1.045 9.819 1.247 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.622 7.915 -0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.379 9.487 -0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.111 6.486 1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.562 9.270 -1.434 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.396 5.398 1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.842 8.173 -1.335 1.00 0.00 H new ATOM 0 HH TYR A 87 8.070 6.770 0.577 1.00 0.00 H new ATOM 1299 N SER A 88 -0.126 7.522 1.429 1.00 0.00 N ATOM 1300 CA SER A 88 -0.911 6.405 1.928 1.00 0.00 C ATOM 1301 C SER A 88 -0.961 5.291 0.880 1.00 0.00 C ATOM 1302 O SER A 88 -0.366 5.413 -0.190 1.00 0.00 O ATOM 1303 CB SER A 88 -2.327 6.849 2.299 1.00 0.00 C ATOM 1304 OG SER A 88 -3.242 6.672 1.221 1.00 0.00 O ATOM 0 H SER A 88 -0.565 8.048 0.674 1.00 0.00 H new ATOM 0 HA SER A 88 -0.431 6.025 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.670 6.280 3.163 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.312 7.898 2.593 1.00 0.00 H new ATOM 0 HG SER A 88 -3.700 7.519 1.038 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.677 4.231 1.223 1.00 0.00 N ATOM 1311 CA PHE A 89 -1.813 3.097 0.326 1.00 0.00 C ATOM 1312 C PHE A 89 -3.161 2.400 0.522 1.00 0.00 C ATOM 1313 O PHE A 89 -3.533 2.065 1.646 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.691 2.116 0.671 1.00 0.00 C ATOM 1315 CG PHE A 89 0.714 2.708 0.542 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.128 3.224 -0.646 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.549 2.718 1.616 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.432 3.774 -0.765 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.853 3.268 1.497 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.267 3.784 0.309 1.00 0.00 C ATOM 0 H PHE A 89 -2.170 4.134 2.111 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.756 3.434 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.833 1.762 1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.769 1.246 0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.465 3.216 -1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.220 2.308 2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.761 4.184 -1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.516 3.276 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.259 4.202 0.218 1.00 0.00 H new ATOM 1330 N ARG A 90 -3.857 2.203 -0.588 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.156 1.553 -0.551 1.00 0.00 C ATOM 1332 C ARG A 90 -5.159 0.322 -1.461 1.00 0.00 C ATOM 1333 O ARG A 90 -4.176 0.052 -2.149 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.264 2.510 -0.997 1.00 0.00 C ATOM 1335 CG ARG A 90 -5.911 3.176 -2.328 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.858 4.340 -2.626 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.357 4.243 -4.016 1.00 0.00 N ATOM 1338 CZ ARG A 90 -7.986 5.235 -4.660 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.198 6.406 -4.042 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.405 5.058 -5.920 1.00 0.00 N ATOM 0 H ARG A 90 -3.546 2.482 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.346 1.250 0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.202 1.964 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.419 3.273 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.883 3.537 -2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.966 2.442 -3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.695 4.326 -1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.339 5.288 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.213 3.365 -4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.880 6.541 -3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.677 7.162 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.245 4.167 -6.390 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.884 5.814 -6.409 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.275 -0.391 -1.434 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.419 -1.587 -2.247 1.00 0.00 C ATOM 1356 C VAL A 91 -7.814 -1.607 -2.874 1.00 0.00 C ATOM 1357 O VAL A 91 -8.786 -1.185 -2.249 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.123 -2.830 -1.406 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.298 -4.106 -2.233 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.722 -2.759 -0.796 1.00 0.00 C ATOM 0 H VAL A 91 -7.088 -0.164 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.696 -1.584 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.843 -2.860 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.082 -4.975 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.324 -4.166 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.613 -4.087 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.537 -3.655 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.981 -2.692 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.648 -1.879 -0.157 1.00 0.00 H new ATOM 1370 N MET A 92 -7.869 -2.102 -4.102 1.00 0.00 N ATOM 1371 CA MET A 92 -9.129 -2.183 -4.821 1.00 0.00 C ATOM 1372 C MET A 92 -9.370 -3.599 -5.347 1.00 0.00 C ATOM 1373 O MET A 92 -8.422 -4.339 -5.606 1.00 0.00 O ATOM 1374 CB MET A 92 -9.113 -1.199 -5.992 1.00 0.00 C ATOM 1375 CG MET A 92 -9.432 0.221 -5.519 1.00 0.00 C ATOM 1376 SD MET A 92 -8.092 0.848 -4.520 1.00 0.00 S ATOM 1377 CE MET A 92 -6.783 0.865 -5.733 1.00 0.00 C ATOM 0 H MET A 92 -7.061 -2.451 -4.617 1.00 0.00 H new ATOM 0 HA MET A 92 -9.935 -1.929 -4.133 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.134 -1.215 -6.472 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.841 -1.509 -6.742 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.591 0.872 -6.379 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.357 0.222 -4.943 1.00 0.00 H new ATOM 0 HE1 MET A 92 -5.933 1.425 -5.343 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.475 -0.158 -5.950 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.141 1.338 -6.647 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.644 -3.934 -5.491 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.021 -5.248 -5.982 1.00 0.00 C ATOM 1389 C ALA A 93 -11.846 -5.092 -7.262 1.00 0.00 C ATOM 1390 O ALA A 93 -12.672 -4.187 -7.365 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.779 -6.004 -4.889 1.00 0.00 C ATOM 0 H ALA A 93 -11.428 -3.318 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.136 -5.834 -6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.062 -6.990 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.140 -6.114 -4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.676 -5.448 -4.617 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.593 -5.989 -8.204 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.302 -5.962 -9.472 1.00 0.00 C ATOM 1399 C VAL A 94 -12.720 -7.385 -9.847 1.00 0.00 C ATOM 1400 O VAL A 94 -11.899 -8.301 -9.836 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.437 -5.291 -10.541 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.288 -4.834 -11.727 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.644 -4.123 -9.951 1.00 0.00 C ATOM 0 H VAL A 94 -10.907 -6.739 -8.114 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.212 -5.367 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.723 -6.029 -10.907 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.649 -4.360 -12.472 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.786 -5.696 -12.171 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.036 -4.119 -11.384 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.038 -3.664 -10.732 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.334 -3.383 -9.545 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.995 -4.489 -9.156 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.997 -7.527 -10.171 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.534 -8.823 -10.550 1.00 0.00 C ATOM 1415 C ASN A 95 -15.254 -8.699 -11.894 1.00 0.00 C ATOM 1416 O ASN A 95 -15.135 -7.681 -12.575 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.545 -9.323 -9.517 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.774 -8.412 -9.467 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -17.021 -7.611 -10.353 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.528 -8.581 -8.385 1.00 0.00 N ATOM 0 H ASN A 95 -14.676 -6.766 -10.179 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.704 -9.527 -10.613 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.851 -10.339 -9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -15.077 -9.362 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.372 -8.022 -8.259 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -17.263 -9.270 -7.681 1.00 0.00 H new ATOM 1427 N SER A 96 -15.984 -9.750 -12.238 1.00 0.00 N ATOM 1428 CA SER A 96 -16.722 -9.772 -13.489 1.00 0.00 C ATOM 1429 C SER A 96 -17.532 -8.482 -13.641 1.00 0.00 C ATOM 1430 O SER A 96 -17.597 -7.910 -14.728 1.00 0.00 O ATOM 1431 CB SER A 96 -17.645 -10.990 -13.562 1.00 0.00 C ATOM 1432 OG SER A 96 -17.189 -11.948 -14.513 1.00 0.00 O ATOM 0 H SER A 96 -16.080 -10.593 -11.672 1.00 0.00 H new ATOM 0 HA SER A 96 -16.006 -9.843 -14.308 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.708 -11.457 -12.579 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.652 -10.667 -13.827 1.00 0.00 H new ATOM 0 HG SER A 96 -17.804 -12.711 -14.529 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.129 -8.062 -12.535 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.932 -6.851 -12.532 1.00 0.00 C ATOM 1440 C ILE A 97 -18.060 -5.665 -12.947 1.00 0.00 C ATOM 1441 O ILE A 97 -18.050 -5.276 -14.114 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.617 -6.666 -11.176 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.400 -7.920 -10.781 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.498 -5.415 -11.173 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.841 -7.849 -11.289 1.00 0.00 C ATOM 0 H ILE A 97 -18.073 -8.539 -11.635 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.737 -6.926 -13.263 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.845 -6.518 -10.421 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.909 -8.803 -11.190 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.398 -8.028 -9.696 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.973 -5.307 -10.198 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.885 -4.537 -11.377 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.265 -5.508 -11.942 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.375 -8.752 -10.995 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.336 -6.978 -10.859 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.840 -7.766 -12.376 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.348 -5.124 -11.970 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.474 -3.990 -12.220 1.00 0.00 C ATOM 1459 C GLY A 98 -15.490 -3.791 -11.065 1.00 0.00 C ATOM 1460 O GLY A 98 -15.176 -4.736 -10.342 1.00 0.00 O ATOM 0 H GLY A 98 -17.358 -5.450 -11.003 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.924 -4.148 -13.148 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.072 -3.088 -12.353 1.00 0.00 H new ATOM 1464 N LYS A 99 -15.032 -2.556 -10.927 1.00 0.00 N ATOM 1465 CA LYS A 99 -14.091 -2.220 -9.872 1.00 0.00 C ATOM 1466 C LYS A 99 -14.842 -1.561 -8.714 1.00 0.00 C ATOM 1467 O LYS A 99 -15.679 -0.685 -8.931 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.946 -1.370 -10.426 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.959 -0.991 -9.319 1.00 0.00 C ATOM 1470 CD LYS A 99 -11.348 0.388 -9.579 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.598 0.413 -10.912 1.00 0.00 C ATOM 1472 NZ LYS A 99 -10.252 1.803 -11.285 1.00 0.00 N ATOM 0 H LYS A 99 -15.295 -1.775 -11.528 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.625 -3.122 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.425 -1.921 -11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.348 -0.467 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.469 -0.991 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.168 -1.738 -9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.134 1.143 -9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.666 0.646 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.691 -0.186 -10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.214 -0.037 -11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.743 1.803 -12.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.122 2.365 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.647 2.220 -10.549 1.00 0.00 H new ATOM 1486 N SER A 100 -14.517 -2.006 -7.509 1.00 0.00 N ATOM 1487 CA SER A 100 -15.151 -1.470 -6.317 1.00 0.00 C ATOM 1488 C SER A 100 -14.435 -0.193 -5.872 1.00 0.00 C ATOM 1489 O SER A 100 -13.433 0.200 -6.468 1.00 0.00 O ATOM 1490 CB SER A 100 -15.154 -2.498 -5.184 1.00 0.00 C ATOM 1491 OG SER A 100 -13.841 -2.757 -4.695 1.00 0.00 O ATOM 0 H SER A 100 -13.823 -2.732 -7.333 1.00 0.00 H new ATOM 0 HA SER A 100 -16.187 -1.233 -6.559 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.780 -2.137 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.599 -3.428 -5.539 1.00 0.00 H new ATOM 0 HG SER A 100 -13.835 -3.608 -4.209 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.977 0.419 -4.830 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.401 1.643 -4.299 1.00 0.00 C ATOM 1499 C LEU A 101 -13.015 1.343 -3.724 1.00 0.00 C ATOM 1500 O LEU A 101 -12.700 0.193 -3.423 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.356 2.292 -3.294 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.643 2.881 -3.876 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -16.375 4.234 -4.539 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -17.313 1.895 -4.835 1.00 0.00 C ATOM 0 H LEU A 101 -15.809 0.091 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.264 2.376 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.627 1.546 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.820 3.085 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 101 -17.340 3.056 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -17.306 4.631 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -15.976 4.929 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -15.653 4.107 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -18.225 2.339 -5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -16.632 1.665 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -17.560 0.978 -4.300 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.204 2.426 -3.586 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.859 2.290 -3.053 1.00 0.00 C ATOM 1518 C PRO A 102 -10.888 2.075 -1.539 1.00 0.00 C ATOM 1519 O PRO A 102 -11.620 2.760 -0.825 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.144 3.569 -3.458 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.238 4.569 -3.796 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.544 3.803 -3.932 1.00 0.00 C ATOM 0 HA PRO A 102 -10.338 1.417 -3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.514 3.938 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.493 3.398 -4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.319 5.325 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.004 5.092 -4.723 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.308 4.202 -3.265 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.939 3.871 -4.946 1.00 0.00 H new ATOM 1530 N SER A 103 -10.084 1.122 -1.092 1.00 0.00 N ATOM 1531 CA SER A 103 -10.008 0.809 0.324 1.00 0.00 C ATOM 1532 C SER A 103 -9.903 2.099 1.141 1.00 0.00 C ATOM 1533 O SER A 103 -9.360 3.095 0.666 1.00 0.00 O ATOM 1534 CB SER A 103 -8.820 -0.107 0.624 1.00 0.00 C ATOM 1535 OG SER A 103 -7.578 0.589 0.551 1.00 0.00 O ATOM 0 H SER A 103 -9.479 0.556 -1.687 1.00 0.00 H new ATOM 0 HA SER A 103 -10.919 0.281 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.936 -0.538 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.813 -0.936 -0.084 1.00 0.00 H new ATOM 0 HG SER A 103 -7.508 1.213 1.303 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.431 2.038 2.354 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.403 3.189 3.241 1.00 0.00 C ATOM 1543 C GLU A 104 -9.068 3.925 3.113 1.00 0.00 C ATOM 1544 O GLU A 104 -9.000 4.995 2.509 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.662 2.771 4.690 1.00 0.00 C ATOM 1546 CG GLU A 104 -12.013 2.065 4.824 1.00 0.00 C ATOM 1547 CD GLU A 104 -12.491 2.069 6.277 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.824 1.401 7.096 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -13.514 2.739 6.536 1.00 0.00 O ATOM 0 H GLU A 104 -10.881 1.210 2.744 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.201 3.870 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.866 2.108 5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.641 3.649 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.751 2.561 4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.928 1.038 4.468 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.039 3.324 3.691 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.710 3.909 3.649 1.00 0.00 C ATOM 1558 C ALA A 105 -5.832 3.248 4.714 1.00 0.00 C ATOM 1559 O ALA A 105 -6.127 3.330 5.905 1.00 0.00 O ATOM 1560 CB ALA A 105 -6.813 5.424 3.838 1.00 0.00 C ATOM 0 H ALA A 105 -8.099 2.437 4.191 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.243 3.731 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.816 5.863 3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.422 5.850 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.274 5.640 4.802 1.00 0.00 H new ATOM 1566 N SER A 106 -4.771 2.607 4.246 1.00 0.00 N ATOM 1567 CA SER A 106 -3.848 1.932 5.143 1.00 0.00 C ATOM 1568 C SER A 106 -3.109 2.959 6.003 1.00 0.00 C ATOM 1569 O SER A 106 -3.076 4.143 5.671 1.00 0.00 O ATOM 1570 CB SER A 106 -2.849 1.075 4.362 1.00 0.00 C ATOM 1571 OG SER A 106 -1.727 1.834 3.919 1.00 0.00 O ATOM 0 H SER A 106 -4.530 2.541 3.257 1.00 0.00 H new ATOM 0 HA SER A 106 -4.423 1.271 5.792 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.506 0.254 4.991 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.348 0.630 3.501 1.00 0.00 H new ATOM 0 HG SER A 106 -2.034 2.567 3.345 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.534 2.468 7.091 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.797 3.328 8.001 1.00 0.00 C ATOM 1579 C GLU A 107 -0.839 4.230 7.220 1.00 0.00 C ATOM 1580 O GLU A 107 -0.403 3.878 6.126 1.00 0.00 O ATOM 1581 CB GLU A 107 -1.044 2.503 9.046 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.490 1.215 8.433 1.00 0.00 C ATOM 1583 CD GLU A 107 0.971 1.001 8.834 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.836 1.620 8.178 1.00 0.00 O ATOM 1585 OE2 GLU A 107 1.189 0.224 9.788 1.00 0.00 O ATOM 0 H GLU A 107 -2.564 1.485 7.363 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.510 3.960 8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.227 3.093 9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.712 2.259 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.089 0.365 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.570 1.261 7.347 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.541 5.377 7.814 1.00 0.00 N ATOM 1593 CA GLN A 108 0.357 6.332 7.188 1.00 0.00 C ATOM 1594 C GLN A 108 1.803 5.842 7.283 1.00 0.00 C ATOM 1595 O GLN A 108 2.468 6.052 8.296 1.00 0.00 O ATOM 1596 CB GLN A 108 0.206 7.719 7.815 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.642 8.633 6.928 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.567 10.085 7.405 1.00 0.00 C ATOM 1599 OE1 GLN A 108 -0.579 10.378 8.589 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -0.488 10.974 6.419 1.00 0.00 N ATOM 0 H GLN A 108 -0.906 5.666 8.722 1.00 0.00 H new ATOM 0 HA GLN A 108 0.090 6.415 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.257 7.629 8.798 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.190 8.163 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.296 8.567 5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.679 8.296 6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.483 10.660 5.449 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.433 11.970 6.633 1.00 0.00 H new ATOM 1609 N TYR A 109 2.248 5.198 6.213 1.00 0.00 N ATOM 1610 CA TYR A 109 3.603 4.677 6.163 1.00 0.00 C ATOM 1611 C TYR A 109 4.560 5.696 5.543 1.00 0.00 C ATOM 1612 O TYR A 109 4.476 5.987 4.351 1.00 0.00 O ATOM 1613 CB TYR A 109 3.546 3.438 5.267 1.00 0.00 C ATOM 1614 CG TYR A 109 4.875 2.688 5.156 1.00 0.00 C ATOM 1615 CD1 TYR A 109 5.965 3.299 4.570 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.983 1.401 5.641 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.216 2.594 4.466 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.234 0.695 5.536 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.288 1.326 4.954 1.00 0.00 C ATOM 1620 OH TYR A 109 8.470 0.660 4.855 1.00 0.00 O ATOM 0 H TYR A 109 1.694 5.026 5.374 1.00 0.00 H new ATOM 0 HA TYR A 109 3.964 4.451 7.166 1.00 0.00 H new ATOM 0 HB2 TYR A 109 2.788 2.757 5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.226 3.738 4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.880 4.306 4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.130 0.923 6.099 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.077 3.061 4.011 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.332 -0.313 5.911 1.00 0.00 H new ATOM 0 HH TYR A 109 8.376 -0.234 5.245 1.00 0.00 H new ATOM 1630 N LEU A 110 5.449 6.212 6.380 1.00 0.00 N ATOM 1631 CA LEU A 110 6.421 7.193 5.929 1.00 0.00 C ATOM 1632 C LEU A 110 7.823 6.584 5.998 1.00 0.00 C ATOM 1633 O LEU A 110 8.185 5.961 6.995 1.00 0.00 O ATOM 1634 CB LEU A 110 6.276 8.494 6.721 1.00 0.00 C ATOM 1635 CG LEU A 110 7.468 9.452 6.660 1.00 0.00 C ATOM 1636 CD1 LEU A 110 7.921 9.673 5.216 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.148 10.770 7.369 1.00 0.00 C ATOM 0 H LEU A 110 5.516 5.969 7.368 1.00 0.00 H new ATOM 0 HA LEU A 110 6.239 7.459 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.393 9.020 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.091 8.242 7.765 1.00 0.00 H new ATOM 0 HG LEU A 110 8.302 8.994 7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.769 10.358 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.216 8.720 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.101 10.099 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.011 11.433 7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.293 11.244 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.911 10.573 8.415 1.00 0.00 H new ATOM 1649 N THR A 111 8.574 6.786 4.925 1.00 0.00 N ATOM 1650 CA THR A 111 9.929 6.264 4.851 1.00 0.00 C ATOM 1651 C THR A 111 10.881 7.134 5.674 1.00 0.00 C ATOM 1652 O THR A 111 10.461 8.122 6.277 1.00 0.00 O ATOM 1653 CB THR A 111 10.318 6.167 3.375 1.00 0.00 C ATOM 1654 OG1 THR A 111 10.189 7.502 2.893 1.00 0.00 O ATOM 1655 CG2 THR A 111 9.300 5.374 2.552 1.00 0.00 C ATOM 0 H THR A 111 8.270 7.304 4.100 1.00 0.00 H new ATOM 0 HA THR A 111 9.993 5.266 5.285 1.00 0.00 H new ATOM 0 HB THR A 111 11.299 5.699 3.288 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.848 7.487 1.974 1.00 0.00 H new ATOM 0 HG21 THR A 111 9.624 5.335 1.512 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.224 4.361 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.326 5.860 2.611 1.00 0.00 H new ATOM 1663 N LYS A 112 12.144 6.737 5.674 1.00 0.00 N ATOM 1664 CA LYS A 112 13.159 7.468 6.413 1.00 0.00 C ATOM 1665 C LYS A 112 13.432 8.801 5.714 1.00 0.00 C ATOM 1666 O LYS A 112 13.213 8.932 4.511 1.00 0.00 O ATOM 1667 CB LYS A 112 14.409 6.606 6.602 1.00 0.00 C ATOM 1668 CG LYS A 112 14.117 5.406 7.505 1.00 0.00 C ATOM 1669 CD LYS A 112 14.749 4.131 6.945 1.00 0.00 C ATOM 1670 CE LYS A 112 14.963 3.094 8.049 1.00 0.00 C ATOM 1671 NZ LYS A 112 16.355 3.148 8.549 1.00 0.00 N ATOM 0 H LYS A 112 12.488 5.918 5.174 1.00 0.00 H new ATOM 0 HA LYS A 112 12.805 7.701 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.765 6.258 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.207 7.207 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.503 5.598 8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.039 5.271 7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.108 3.714 6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.703 4.370 6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.269 3.278 8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.746 2.097 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.483 2.438 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 17.012 2.950 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.549 4.095 8.933 1.00 0.00 H new ATOM 1685 N ALA A 113 13.904 9.759 6.499 1.00 0.00 N ATOM 1686 CA ALA A 113 14.208 11.078 5.971 1.00 0.00 C ATOM 1687 C ALA A 113 14.947 11.891 7.036 1.00 0.00 C ATOM 1688 O ALA A 113 14.406 12.858 7.569 1.00 0.00 O ATOM 1689 CB ALA A 113 12.915 11.755 5.512 1.00 0.00 C ATOM 0 H ALA A 113 14.083 9.648 7.497 1.00 0.00 H new ATOM 0 HA ALA A 113 14.862 11.003 5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 113 13.143 12.745 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 113 12.445 11.153 4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 113 12.234 11.851 6.358 1.00 0.00 H new ATOM 1695 N SER A 114 16.172 11.469 7.313 1.00 0.00 N ATOM 1696 CA SER A 114 16.990 12.146 8.305 1.00 0.00 C ATOM 1697 C SER A 114 16.138 12.522 9.518 1.00 0.00 C ATOM 1698 O SER A 114 16.234 13.637 10.028 1.00 0.00 O ATOM 1699 CB SER A 114 17.651 13.393 7.714 1.00 0.00 C ATOM 1700 OG SER A 114 19.036 13.469 8.043 1.00 0.00 O ATOM 0 H SER A 114 16.618 10.667 6.868 1.00 0.00 H new ATOM 0 HA SER A 114 17.779 11.464 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.536 13.386 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.141 14.283 8.083 1.00 0.00 H new ATOM 0 HG SER A 114 19.423 14.277 7.646 1.00 0.00 H new ATOM 1706 N GLU A 115 15.322 11.569 9.947 1.00 0.00 N ATOM 1707 CA GLU A 115 14.454 11.786 11.091 1.00 0.00 C ATOM 1708 C GLU A 115 13.728 10.490 11.460 1.00 0.00 C ATOM 1709 O GLU A 115 13.178 9.814 10.592 1.00 0.00 O ATOM 1710 CB GLU A 115 13.456 12.913 10.817 1.00 0.00 C ATOM 1711 CG GLU A 115 12.199 12.754 11.674 1.00 0.00 C ATOM 1712 CD GLU A 115 11.376 14.044 11.685 1.00 0.00 C ATOM 1713 OE1 GLU A 115 11.886 15.037 12.247 1.00 0.00 O ATOM 1714 OE2 GLU A 115 10.256 14.007 11.131 1.00 0.00 O ATOM 0 H GLU A 115 15.244 10.645 9.522 1.00 0.00 H new ATOM 0 HA GLU A 115 15.071 12.089 11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.923 13.876 11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.183 12.913 9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.592 11.935 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.480 12.489 12.693 1.00 0.00 H new ATOM 1721 N PRO A 116 13.752 10.175 12.783 1.00 0.00 N ATOM 1722 CA PRO A 116 13.103 8.972 13.277 1.00 0.00 C ATOM 1723 C PRO A 116 11.583 9.143 13.309 1.00 0.00 C ATOM 1724 O PRO A 116 11.052 10.110 12.765 1.00 0.00 O ATOM 1725 CB PRO A 116 13.703 8.739 14.654 1.00 0.00 C ATOM 1726 CG PRO A 116 14.317 10.066 15.071 1.00 0.00 C ATOM 1727 CD PRO A 116 14.393 10.952 13.839 1.00 0.00 C ATOM 0 HA PRO A 116 13.270 8.109 12.633 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.939 8.422 15.364 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.457 7.952 14.624 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.713 10.540 15.845 1.00 0.00 H new ATOM 0 HG3 PRO A 116 15.311 9.911 15.492 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.879 11.900 14.001 1.00 0.00 H new ATOM 0 HD3 PRO A 116 15.426 11.189 13.585 1.00 0.00 H new ATOM 1735 N ASP A 117 10.926 8.188 13.950 1.00 0.00 N ATOM 1736 CA ASP A 117 9.477 8.220 14.060 1.00 0.00 C ATOM 1737 C ASP A 117 8.860 7.796 12.726 1.00 0.00 C ATOM 1738 O ASP A 117 9.435 8.038 11.666 1.00 0.00 O ATOM 1739 CB ASP A 117 8.981 9.630 14.384 1.00 0.00 C ATOM 1740 CG ASP A 117 7.762 9.691 15.306 1.00 0.00 C ATOM 1741 OD1 ASP A 117 7.854 9.107 16.408 1.00 0.00 O ATOM 1742 OD2 ASP A 117 6.765 10.320 14.889 1.00 0.00 O ATOM 0 H ASP A 117 11.370 7.387 14.399 1.00 0.00 H new ATOM 0 HA ASP A 117 9.184 7.542 14.861 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.795 10.188 14.846 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.737 10.137 13.450 1.00 0.00 H new ATOM 1747 N LYS A 118 7.696 7.169 12.822 1.00 0.00 N ATOM 1748 CA LYS A 118 6.994 6.709 11.636 1.00 0.00 C ATOM 1749 C LYS A 118 5.794 7.621 11.373 1.00 0.00 C ATOM 1750 O LYS A 118 4.659 7.264 11.682 1.00 0.00 O ATOM 1751 CB LYS A 118 6.624 5.231 11.772 1.00 0.00 C ATOM 1752 CG LYS A 118 7.824 4.334 11.459 1.00 0.00 C ATOM 1753 CD LYS A 118 7.939 4.078 9.955 1.00 0.00 C ATOM 1754 CE LYS A 118 8.946 2.963 9.664 1.00 0.00 C ATOM 1755 NZ LYS A 118 8.371 1.644 10.009 1.00 0.00 N ATOM 0 H LYS A 118 7.222 6.969 13.703 1.00 0.00 H new ATOM 0 HA LYS A 118 7.642 6.773 10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.271 5.032 12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.802 4.994 11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.738 4.803 11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.721 3.386 11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.963 3.805 9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.248 4.993 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 118 9.223 2.981 8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.858 3.130 10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.966 0.891 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.333 1.542 11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.410 1.571 9.618 1.00 0.00 H new ATOM 1769 N ASN A 119 6.087 8.782 10.803 1.00 0.00 N ATOM 1770 CA ASN A 119 5.047 9.748 10.495 1.00 0.00 C ATOM 1771 C ASN A 119 4.485 10.319 11.798 1.00 0.00 C ATOM 1772 O ASN A 119 4.172 9.572 12.724 1.00 0.00 O ATOM 1773 CB ASN A 119 3.895 9.091 9.731 1.00 0.00 C ATOM 1774 CG ASN A 119 2.991 10.146 9.089 1.00 0.00 C ATOM 1775 OD1 ASN A 119 3.459 10.634 7.943 1.00 0.00 O flip ATOM 1776 ND2 ASN A 119 1.940 10.494 9.600 1.00 0.00 N flip ATOM 0 H ASN A 119 7.030 9.074 10.547 1.00 0.00 H new ATOM 0 HA ASN A 119 5.487 10.533 9.880 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.294 8.431 8.961 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.310 8.471 10.410 1.00 0.00 H new ATOM 0 HD21 ASN A 119 1.639 10.079 10.482 1.00 0.00 H new ATOM 0 HD22 ASN A 119 1.361 11.201 9.146 1.00 0.00 H new ATOM 1783 N PRO A 120 4.371 11.674 11.829 1.00 0.00 N ATOM 1784 CA PRO A 120 3.852 12.355 13.004 1.00 0.00 C ATOM 1785 C PRO A 120 2.335 12.190 13.107 1.00 0.00 C ATOM 1786 O PRO A 120 1.667 11.916 12.111 1.00 0.00 O ATOM 1787 CB PRO A 120 4.283 13.803 12.841 1.00 0.00 C ATOM 1788 CG PRO A 120 4.621 13.975 11.369 1.00 0.00 C ATOM 1789 CD PRO A 120 4.732 12.591 10.752 1.00 0.00 C ATOM 0 HA PRO A 120 4.238 11.941 13.936 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.486 14.484 13.141 1.00 0.00 H new ATOM 0 HB3 PRO A 120 5.146 14.027 13.468 1.00 0.00 H new ATOM 0 HG2 PRO A 120 3.849 14.557 10.865 1.00 0.00 H new ATOM 0 HG3 PRO A 120 5.557 14.521 11.254 1.00 0.00 H new ATOM 0 HD2 PRO A 120 4.062 12.483 9.899 1.00 0.00 H new ATOM 0 HD3 PRO A 120 5.742 12.399 10.390 1.00 0.00 H new ATOM 1797 N THR A 121 1.834 12.365 14.321 1.00 0.00 N ATOM 1798 CA THR A 121 0.408 12.239 14.568 1.00 0.00 C ATOM 1799 C THR A 121 -0.207 13.611 14.855 1.00 0.00 C ATOM 1800 O THR A 121 0.378 14.418 15.576 1.00 0.00 O ATOM 1801 CB THR A 121 0.211 11.235 15.704 1.00 0.00 C ATOM 1802 OG1 THR A 121 0.559 9.981 15.124 1.00 0.00 O ATOM 1803 CG2 THR A 121 -1.260 11.070 16.092 1.00 0.00 C ATOM 0 H THR A 121 2.391 12.593 15.145 1.00 0.00 H new ATOM 0 HA THR A 121 -0.114 11.862 13.688 1.00 0.00 H new ATOM 0 HB THR A 121 0.782 11.557 16.575 1.00 0.00 H new ATOM 0 HG1 THR A 121 0.461 9.272 15.794 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.343 10.346 16.903 1.00 0.00 H new ATOM 0 HG22 THR A 121 -1.660 12.030 16.420 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.826 10.716 15.230 1.00 0.00 H new ATOM 1811 N SER A 122 -1.378 13.832 14.278 1.00 0.00 N ATOM 1812 CA SER A 122 -2.078 15.092 14.463 1.00 0.00 C ATOM 1813 C SER A 122 -3.507 14.981 13.926 1.00 0.00 C ATOM 1814 O SER A 122 -3.777 14.181 13.032 1.00 0.00 O ATOM 1815 CB SER A 122 -1.339 16.239 13.771 1.00 0.00 C ATOM 1816 OG SER A 122 -1.158 17.356 14.638 1.00 0.00 O ATOM 0 H SER A 122 -1.860 13.160 13.682 1.00 0.00 H new ATOM 0 HA SER A 122 -2.114 15.310 15.530 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.367 15.888 13.424 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.898 16.551 12.889 1.00 0.00 H new ATOM 0 HG SER A 122 -0.681 18.067 14.161 1.00 0.00 H new ATOM 1822 N GLY A 123 -4.383 15.795 14.496 1.00 0.00 N ATOM 1823 CA GLY A 123 -5.777 15.798 14.086 1.00 0.00 C ATOM 1824 C GLY A 123 -6.645 15.031 15.086 1.00 0.00 C ATOM 1825 O GLY A 123 -6.157 14.144 15.785 1.00 0.00 O ATOM 0 H GLY A 123 -4.155 16.457 15.238 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.133 16.825 14.003 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.870 15.347 13.098 1.00 0.00 H new ATOM 1829 N PRO A 124 -7.950 15.411 15.125 1.00 0.00 N ATOM 1830 CA PRO A 124 -8.890 14.770 16.028 1.00 0.00 C ATOM 1831 C PRO A 124 -9.274 13.378 15.522 1.00 0.00 C ATOM 1832 O PRO A 124 -9.336 13.147 14.315 1.00 0.00 O ATOM 1833 CB PRO A 124 -10.073 15.721 16.105 1.00 0.00 C ATOM 1834 CG PRO A 124 -9.958 16.629 14.892 1.00 0.00 C ATOM 1835 CD PRO A 124 -8.563 16.458 14.312 1.00 0.00 C ATOM 0 HA PRO A 124 -8.470 14.597 17.019 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -11.015 15.173 16.095 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -10.050 16.299 17.029 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -10.714 16.372 14.150 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -10.129 17.668 15.175 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -8.603 16.171 13.261 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -7.994 17.386 14.367 1.00 0.00 H new ATOM 1843 N SER A 125 -9.523 12.486 16.469 1.00 0.00 N ATOM 1844 CA SER A 125 -9.899 11.123 16.135 1.00 0.00 C ATOM 1845 C SER A 125 -11.122 10.702 16.952 1.00 0.00 C ATOM 1846 O SER A 125 -11.173 10.926 18.160 1.00 0.00 O ATOM 1847 CB SER A 125 -8.739 10.156 16.379 1.00 0.00 C ATOM 1848 OG SER A 125 -8.535 9.906 17.767 1.00 0.00 O ATOM 0 H SER A 125 -9.472 12.681 17.469 1.00 0.00 H new ATOM 0 HA SER A 125 -10.149 11.088 15.075 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.938 9.215 15.867 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.827 10.568 15.947 1.00 0.00 H new ATOM 0 HG SER A 125 -7.787 9.283 17.881 1.00 0.00 H new ATOM 1854 N SER A 126 -12.078 10.100 16.259 1.00 0.00 N ATOM 1855 CA SER A 126 -13.298 9.646 16.905 1.00 0.00 C ATOM 1856 C SER A 126 -13.093 8.245 17.483 1.00 0.00 C ATOM 1857 O SER A 126 -13.201 8.046 18.692 1.00 0.00 O ATOM 1858 CB SER A 126 -14.474 9.650 15.927 1.00 0.00 C ATOM 1859 OG SER A 126 -15.722 9.480 16.592 1.00 0.00 O ATOM 0 H SER A 126 -12.032 9.916 15.257 1.00 0.00 H new ATOM 0 HA SER A 126 -13.533 10.336 17.715 1.00 0.00 H new ATOM 0 HB2 SER A 126 -14.483 10.590 15.374 1.00 0.00 H new ATOM 0 HB3 SER A 126 -14.341 8.852 15.197 1.00 0.00 H new ATOM 0 HG SER A 126 -16.448 9.490 15.933 1.00 0.00 H new ATOM 1865 N GLY A 127 -12.800 7.309 16.592 1.00 0.00 N ATOM 1866 CA GLY A 127 -12.579 5.931 16.999 1.00 0.00 C ATOM 1867 C GLY A 127 -11.147 5.492 16.690 1.00 0.00 C ATOM 1868 O GLY A 127 -10.192 6.062 17.215 1.00 0.00 O ATOM 0 H GLY A 127 -12.710 7.477 15.590 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -12.773 5.828 18.067 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -13.283 5.278 16.483 1.00 0.00 H new TER 1872 GLY A 127