USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 867 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 51 THR OG1 : rot 180:sc= 0.0158 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= -0.0869 USER MOD Set 2.1: A 15 LYS NZ :NH3+ 174:sc= -1.7 (180deg=-1.96) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= -1.03 USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0113 (180deg=0) USER MOD Single : A 2 SER OG : rot 66:sc= 0.403 USER MOD Single : A 3 SER OG : rot 67:sc= 0.279 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.7!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -66:sc= 1.11 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 24 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.5) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 32 THR OG1 : rot -57:sc= 0.537 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.96! C(o=-4!,f=-6.7!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc=-0.00408 X(o=-0.0041,f=-0.085) USER MOD Single : A 53 TYR OH : rot 15:sc= 0.827 USER MOD Single : A 54 LYS NZ :NH3+ -144:sc= -0.0252 (180deg=-0.501) USER MOD Single : A 57 TYR OH : rot 180:sc=-0.00902 USER MOD Single : A 59 THR OG1 : rot -25:sc= 0.0348 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 28:sc= 1.14 USER MOD Single : A 62 GLN : amide:sc= 0.559 K(o=0.56,f=-6.5!) USER MOD Single : A 63 ASN : amide:sc= -0.036 K(o=-0.036,f=-1.7) USER MOD Single : A 64 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.22) USER MOD Single : A 66 GLN : amide:sc=-0.000531 X(o=-0.00053,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 169:sc= 0.0121 USER MOD Single : A 71 ASN : amide:sc= -0.0321 K(o=-0.032,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 118:sc= 0.384 USER MOD Single : A 74 SER OG : rot 180:sc= -0.539 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 160:sc= 0 USER MOD Single : A 99 THR OG1 : rot -159:sc= -0.484 USER MOD Single : A 100 SER OG : rot 160:sc= -1.97 USER MOD Single : A 101 SER OG : rot 110:sc= -0.188 USER MOD Single : A 103 GLN : amide:sc= -0.735 X(o=-0.74,f=-1.2) USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 36:sc= 0.363 USER MOD Single : A 115 SER OG : rot 180:sc=-0.00304 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.678 -19.776 -16.887 1.00 0.00 N ATOM 2 CA GLY A 1 2.603 -20.751 -16.803 1.00 0.00 C ATOM 3 C GLY A 1 1.596 -20.557 -17.938 1.00 0.00 C ATOM 4 O GLY A 1 1.246 -19.427 -18.276 1.00 0.00 O ATOM 0 H1 GLY A 1 3.874 -19.393 -15.940 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.534 -20.234 -17.259 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.396 -19.002 -17.522 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.017 -21.758 -16.848 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.096 -20.657 -15.843 1.00 0.00 H new ATOM 8 N SER A 2 1.159 -21.677 -18.496 1.00 0.00 N ATOM 9 CA SER A 2 0.199 -21.644 -19.586 1.00 0.00 C ATOM 10 C SER A 2 -0.013 -23.054 -20.139 1.00 0.00 C ATOM 11 O SER A 2 0.914 -23.662 -20.672 1.00 0.00 O ATOM 12 CB SER A 2 0.661 -20.701 -20.699 1.00 0.00 C ATOM 13 OG SER A 2 -0.089 -19.490 -20.719 1.00 0.00 O ATOM 0 H SER A 2 1.452 -22.612 -18.214 1.00 0.00 H new ATOM 0 HA SER A 2 -0.747 -21.267 -19.197 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.718 -20.471 -20.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.565 -21.203 -21.662 1.00 0.00 H new ATOM 0 HG SER A 2 0.096 -18.977 -19.905 1.00 0.00 H new ATOM 19 N SER A 3 -1.239 -23.535 -19.993 1.00 0.00 N ATOM 20 CA SER A 3 -1.585 -24.863 -20.472 1.00 0.00 C ATOM 21 C SER A 3 -3.013 -25.216 -20.050 1.00 0.00 C ATOM 22 O SER A 3 -3.642 -24.476 -19.295 1.00 0.00 O ATOM 23 CB SER A 3 -0.602 -25.911 -19.946 1.00 0.00 C ATOM 24 OG SER A 3 0.255 -26.402 -20.973 1.00 0.00 O ATOM 0 H SER A 3 -2.005 -23.029 -19.550 1.00 0.00 H new ATOM 0 HA SER A 3 -1.525 -24.861 -21.560 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.000 -25.475 -19.149 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.157 -26.741 -19.509 1.00 0.00 H new ATOM 0 HG SER A 3 0.851 -25.684 -21.272 1.00 0.00 H new ATOM 30 N GLY A 4 -3.482 -26.346 -20.556 1.00 0.00 N ATOM 31 CA GLY A 4 -4.824 -26.807 -20.242 1.00 0.00 C ATOM 32 C GLY A 4 -4.824 -27.679 -18.985 1.00 0.00 C ATOM 33 O GLY A 4 -3.767 -27.976 -18.431 1.00 0.00 O ATOM 0 H GLY A 4 -2.957 -26.957 -21.182 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.481 -25.950 -20.095 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.223 -27.374 -21.083 1.00 0.00 H new ATOM 37 N SER A 5 -6.022 -28.064 -18.571 1.00 0.00 N ATOM 38 CA SER A 5 -6.174 -28.897 -17.389 1.00 0.00 C ATOM 39 C SER A 5 -7.620 -29.382 -17.273 1.00 0.00 C ATOM 40 O SER A 5 -8.446 -28.733 -16.633 1.00 0.00 O ATOM 41 CB SER A 5 -5.765 -28.138 -16.125 1.00 0.00 C ATOM 42 OG SER A 5 -5.847 -28.956 -14.961 1.00 0.00 O ATOM 0 H SER A 5 -6.897 -27.815 -19.033 1.00 0.00 H new ATOM 0 HA SER A 5 -5.516 -29.760 -17.491 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.746 -27.769 -16.238 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.408 -27.266 -16.002 1.00 0.00 H new ATOM 0 HG SER A 5 -5.577 -28.436 -14.176 1.00 0.00 H new ATOM 48 N SER A 6 -7.882 -30.518 -17.901 1.00 0.00 N ATOM 49 CA SER A 6 -9.214 -31.097 -17.876 1.00 0.00 C ATOM 50 C SER A 6 -9.677 -31.283 -16.430 1.00 0.00 C ATOM 51 O SER A 6 -8.860 -31.305 -15.511 1.00 0.00 O ATOM 52 CB SER A 6 -9.248 -32.434 -18.620 1.00 0.00 C ATOM 53 OG SER A 6 -9.798 -32.304 -19.928 1.00 0.00 O ATOM 0 H SER A 6 -7.194 -31.053 -18.431 1.00 0.00 H new ATOM 0 HA SER A 6 -9.894 -30.412 -18.383 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.237 -32.835 -18.690 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.837 -33.152 -18.049 1.00 0.00 H new ATOM 0 HG SER A 6 -9.801 -33.179 -20.370 1.00 0.00 H new ATOM 59 N GLY A 7 -10.987 -31.411 -16.273 1.00 0.00 N ATOM 60 CA GLY A 7 -11.568 -31.594 -14.954 1.00 0.00 C ATOM 61 C GLY A 7 -10.696 -32.509 -14.092 1.00 0.00 C ATOM 62 O GLY A 7 -10.320 -33.599 -14.521 1.00 0.00 O ATOM 0 H GLY A 7 -11.662 -31.392 -17.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.680 -30.626 -14.465 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.566 -32.021 -15.049 1.00 0.00 H new ATOM 66 N THR A 8 -10.399 -32.032 -12.892 1.00 0.00 N ATOM 67 CA THR A 8 -9.577 -32.793 -11.967 1.00 0.00 C ATOM 68 C THR A 8 -9.647 -32.183 -10.566 1.00 0.00 C ATOM 69 O THR A 8 -9.320 -31.012 -10.378 1.00 0.00 O ATOM 70 CB THR A 8 -8.158 -32.853 -12.533 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.494 -33.806 -11.707 1.00 0.00 O ATOM 72 CG2 THR A 8 -7.380 -31.556 -12.304 1.00 0.00 C ATOM 0 H THR A 8 -10.713 -31.128 -12.539 1.00 0.00 H new ATOM 0 HA THR A 8 -9.943 -33.814 -11.862 1.00 0.00 H new ATOM 0 HB THR A 8 -8.203 -33.065 -13.601 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.566 -33.908 -12.006 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.379 -31.653 -12.725 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.900 -30.730 -12.789 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.306 -31.360 -11.234 1.00 0.00 H new ATOM 80 N VAL A 9 -10.076 -33.003 -9.618 1.00 0.00 N ATOM 81 CA VAL A 9 -10.193 -32.558 -8.240 1.00 0.00 C ATOM 82 C VAL A 9 -9.228 -33.362 -7.365 1.00 0.00 C ATOM 83 O VAL A 9 -8.883 -34.496 -7.696 1.00 0.00 O ATOM 84 CB VAL A 9 -11.648 -32.663 -7.777 1.00 0.00 C ATOM 85 CG1 VAL A 9 -12.512 -31.588 -8.438 1.00 0.00 C ATOM 86 CG2 VAL A 9 -12.209 -34.061 -8.047 1.00 0.00 C ATOM 0 H VAL A 9 -10.347 -33.973 -9.777 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.913 -31.508 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.671 -32.495 -6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.541 -31.685 -8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.131 -30.602 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.480 -31.710 -9.521 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.244 -34.109 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.166 -34.270 -9.116 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.617 -34.801 -7.509 1.00 0.00 H new ATOM 96 N ASN A 10 -8.821 -32.744 -6.266 1.00 0.00 N ATOM 97 CA ASN A 10 -7.903 -33.388 -5.342 1.00 0.00 C ATOM 98 C ASN A 10 -7.777 -32.536 -4.078 1.00 0.00 C ATOM 99 O ASN A 10 -7.392 -31.370 -4.148 1.00 0.00 O ATOM 100 CB ASN A 10 -6.510 -33.529 -5.958 1.00 0.00 C ATOM 101 CG ASN A 10 -5.897 -32.158 -6.247 1.00 0.00 C ATOM 102 OD1 ASN A 10 -6.585 -31.168 -6.432 1.00 0.00 O ATOM 103 ND2 ASN A 10 -4.567 -32.155 -6.276 1.00 0.00 N ATOM 0 H ASN A 10 -9.110 -31.804 -5.995 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.297 -34.378 -5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -5.863 -34.085 -5.279 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.573 -34.105 -6.881 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.063 -31.288 -6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.051 -33.020 -6.113 1.00 0.00 H new ATOM 110 N VAL A 11 -8.109 -33.151 -2.952 1.00 0.00 N ATOM 111 CA VAL A 11 -8.038 -32.462 -1.675 1.00 0.00 C ATOM 112 C VAL A 11 -8.186 -33.481 -0.543 1.00 0.00 C ATOM 113 O VAL A 11 -9.190 -33.485 0.167 1.00 0.00 O ATOM 114 CB VAL A 11 -9.089 -31.351 -1.619 1.00 0.00 C ATOM 115 CG1 VAL A 11 -10.480 -31.896 -1.950 1.00 0.00 C ATOM 116 CG2 VAL A 11 -9.081 -30.657 -0.256 1.00 0.00 C ATOM 0 H VAL A 11 -8.428 -34.118 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.068 -31.979 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.832 -30.608 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.209 -31.087 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.475 -32.322 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.749 -32.668 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.837 -29.872 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.301 -31.385 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.099 -30.218 -0.077 1.00 0.00 H new ATOM 126 N THR A 12 -7.170 -34.321 -0.410 1.00 0.00 N ATOM 127 CA THR A 12 -7.173 -35.342 0.624 1.00 0.00 C ATOM 128 C THR A 12 -7.023 -34.703 2.006 1.00 0.00 C ATOM 129 O THR A 12 -7.626 -35.163 2.975 1.00 0.00 O ATOM 130 CB THR A 12 -6.069 -36.350 0.297 1.00 0.00 C ATOM 131 OG1 THR A 12 -6.104 -37.268 1.386 1.00 0.00 O ATOM 132 CG2 THR A 12 -4.671 -35.732 0.375 1.00 0.00 C ATOM 0 H THR A 12 -6.339 -34.315 -1.001 1.00 0.00 H new ATOM 0 HA THR A 12 -8.123 -35.876 0.649 1.00 0.00 H new ATOM 0 HB THR A 12 -6.231 -36.756 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.420 -37.958 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.925 -36.489 0.134 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.596 -34.910 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.495 -35.356 1.383 1.00 0.00 H new ATOM 140 N THR A 13 -6.216 -33.654 2.052 1.00 0.00 N ATOM 141 CA THR A 13 -5.979 -32.947 3.299 1.00 0.00 C ATOM 142 C THR A 13 -5.197 -31.657 3.041 1.00 0.00 C ATOM 143 O THR A 13 -4.110 -31.467 3.584 1.00 0.00 O ATOM 144 CB THR A 13 -5.271 -33.905 4.259 1.00 0.00 C ATOM 145 OG1 THR A 13 -4.737 -33.053 5.269 1.00 0.00 O ATOM 146 CG2 THR A 13 -4.038 -34.557 3.631 1.00 0.00 C ATOM 0 H THR A 13 -5.718 -33.276 1.246 1.00 0.00 H new ATOM 0 HA THR A 13 -6.916 -32.635 3.761 1.00 0.00 H new ATOM 0 HB THR A 13 -5.968 -34.680 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.046 -32.477 4.880 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.573 -35.227 4.354 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.336 -35.125 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.326 -33.785 3.342 1.00 0.00 H new ATOM 154 N LYS A 14 -5.782 -30.804 2.213 1.00 0.00 N ATOM 155 CA LYS A 14 -5.154 -29.538 1.877 1.00 0.00 C ATOM 156 C LYS A 14 -6.070 -28.753 0.936 1.00 0.00 C ATOM 157 O LYS A 14 -6.586 -29.303 -0.036 1.00 0.00 O ATOM 158 CB LYS A 14 -3.749 -29.769 1.316 1.00 0.00 C ATOM 159 CG LYS A 14 -2.685 -29.176 2.241 1.00 0.00 C ATOM 160 CD LYS A 14 -1.386 -29.981 2.169 1.00 0.00 C ATOM 161 CE LYS A 14 -0.296 -29.199 1.433 1.00 0.00 C ATOM 162 NZ LYS A 14 1.003 -29.901 1.533 1.00 0.00 N ATOM 0 H LYS A 14 -6.684 -30.965 1.765 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.019 -28.930 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.574 -30.838 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.669 -29.317 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.491 -28.140 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.054 -29.166 3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.048 -30.223 3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.568 -30.927 1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.571 -29.079 0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.209 -28.199 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.731 -29.357 1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.271 -29.994 2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.920 -30.846 1.108 1.00 0.00 H new ATOM 176 N LYS A 15 -6.244 -27.480 1.257 1.00 0.00 N ATOM 177 CA LYS A 15 -7.089 -26.613 0.453 1.00 0.00 C ATOM 178 C LYS A 15 -6.219 -25.828 -0.530 1.00 0.00 C ATOM 179 O LYS A 15 -5.026 -26.099 -0.662 1.00 0.00 O ATOM 180 CB LYS A 15 -7.957 -25.728 1.350 1.00 0.00 C ATOM 181 CG LYS A 15 -9.383 -26.273 1.445 1.00 0.00 C ATOM 182 CD LYS A 15 -10.374 -25.159 1.786 1.00 0.00 C ATOM 183 CE LYS A 15 -10.500 -24.981 3.301 1.00 0.00 C ATOM 184 NZ LYS A 15 -9.175 -25.103 3.948 1.00 0.00 N ATOM 0 H LYS A 15 -5.814 -27.027 2.064 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.786 -27.205 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.518 -25.673 2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.978 -24.713 0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.663 -26.736 0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.429 -27.051 2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.045 -24.224 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.350 -25.393 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.932 -24.005 3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.180 -25.731 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.261 -24.880 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.822 -26.075 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.509 -24.440 3.503 1.00 0.00 H new ATOM 198 N THR A 16 -6.848 -24.870 -1.194 1.00 0.00 N ATOM 199 CA THR A 16 -6.146 -24.044 -2.161 1.00 0.00 C ATOM 200 C THR A 16 -6.510 -22.570 -1.967 1.00 0.00 C ATOM 201 O THR A 16 -7.598 -22.254 -1.488 1.00 0.00 O ATOM 202 CB THR A 16 -6.471 -24.572 -3.559 1.00 0.00 C ATOM 203 OG1 THR A 16 -7.849 -24.927 -3.484 1.00 0.00 O ATOM 204 CG2 THR A 16 -5.762 -25.892 -3.866 1.00 0.00 C ATOM 0 H THR A 16 -7.837 -24.647 -1.081 1.00 0.00 H new ATOM 0 HA THR A 16 -5.067 -24.101 -2.020 1.00 0.00 H new ATOM 0 HB THR A 16 -6.188 -23.827 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.144 -25.278 -4.350 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.027 -26.222 -4.870 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.683 -25.749 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.070 -26.647 -3.143 1.00 0.00 H new ATOM 212 N PRO A 17 -5.555 -21.686 -2.360 1.00 0.00 N ATOM 213 CA PRO A 17 -5.764 -20.253 -2.235 1.00 0.00 C ATOM 214 C PRO A 17 -6.727 -19.744 -3.309 1.00 0.00 C ATOM 215 O PRO A 17 -6.989 -20.436 -4.292 1.00 0.00 O ATOM 216 CB PRO A 17 -4.377 -19.642 -2.343 1.00 0.00 C ATOM 217 CG PRO A 17 -3.501 -20.705 -2.986 1.00 0.00 C ATOM 218 CD PRO A 17 -4.255 -22.024 -2.932 1.00 0.00 C ATOM 0 HA PRO A 17 -6.233 -19.977 -1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.396 -18.735 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.995 -19.364 -1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.272 -20.438 -4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.550 -20.787 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.361 -22.460 -3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.730 -22.755 -2.317 1.00 0.00 H new ATOM 226 N PRO A 18 -7.241 -18.506 -3.081 1.00 0.00 N ATOM 227 CA PRO A 18 -8.169 -17.896 -4.017 1.00 0.00 C ATOM 228 C PRO A 18 -7.439 -17.400 -5.267 1.00 0.00 C ATOM 229 O PRO A 18 -8.053 -17.219 -6.318 1.00 0.00 O ATOM 230 CB PRO A 18 -8.837 -16.776 -3.236 1.00 0.00 C ATOM 231 CG PRO A 18 -7.933 -16.501 -2.045 1.00 0.00 C ATOM 232 CD PRO A 18 -6.953 -17.657 -1.928 1.00 0.00 C ATOM 0 HA PRO A 18 -8.912 -18.600 -4.392 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.952 -15.885 -3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.835 -17.069 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.399 -15.560 -2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.522 -16.406 -1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.922 -17.305 -1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.091 -18.200 -0.993 1.00 0.00 H new ATOM 240 N SER A 19 -6.139 -17.193 -5.113 1.00 0.00 N ATOM 241 CA SER A 19 -5.320 -16.722 -6.216 1.00 0.00 C ATOM 242 C SER A 19 -5.863 -15.391 -6.740 1.00 0.00 C ATOM 243 O SER A 19 -5.521 -14.968 -7.843 1.00 0.00 O ATOM 244 CB SER A 19 -5.267 -17.754 -7.343 1.00 0.00 C ATOM 245 OG SER A 19 -4.141 -18.619 -7.223 1.00 0.00 O ATOM 0 H SER A 19 -5.633 -17.343 -4.240 1.00 0.00 H new ATOM 0 HA SER A 19 -4.305 -16.573 -5.848 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.182 -18.347 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.229 -17.240 -8.303 1.00 0.00 H new ATOM 0 HG SER A 19 -4.144 -19.264 -7.960 1.00 0.00 H new ATOM 251 N GLN A 20 -6.700 -14.767 -5.923 1.00 0.00 N ATOM 252 CA GLN A 20 -7.293 -13.493 -6.291 1.00 0.00 C ATOM 253 C GLN A 20 -6.660 -12.360 -5.481 1.00 0.00 C ATOM 254 O GLN A 20 -6.807 -12.305 -4.261 1.00 0.00 O ATOM 255 CB GLN A 20 -8.811 -13.520 -6.101 1.00 0.00 C ATOM 256 CG GLN A 20 -9.334 -12.149 -5.668 1.00 0.00 C ATOM 257 CD GLN A 20 -10.863 -12.107 -5.712 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.545 -13.081 -5.442 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.361 -10.926 -6.068 1.00 0.00 N ATOM 0 H GLN A 20 -6.981 -15.120 -5.008 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.095 -13.313 -7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.292 -13.819 -7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.074 -14.267 -5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.989 -11.927 -4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.926 -11.377 -6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.733 -10.151 -6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.371 -10.795 -6.128 1.00 0.00 H new ATOM 268 N PRO A 21 -5.950 -11.459 -6.212 1.00 0.00 N ATOM 269 CA PRO A 21 -5.294 -10.330 -5.576 1.00 0.00 C ATOM 270 C PRO A 21 -6.310 -9.258 -5.178 1.00 0.00 C ATOM 271 O PRO A 21 -7.402 -9.193 -5.740 1.00 0.00 O ATOM 272 CB PRO A 21 -4.280 -9.837 -6.596 1.00 0.00 C ATOM 273 CG PRO A 21 -4.724 -10.408 -7.933 1.00 0.00 C ATOM 274 CD PRO A 21 -5.754 -11.491 -7.659 1.00 0.00 C ATOM 0 HA PRO A 21 -4.800 -10.602 -4.643 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.254 -8.748 -6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.275 -10.173 -6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.151 -9.625 -8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.872 -10.820 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.686 -11.294 -8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.399 -12.467 -7.989 1.00 0.00 H new ATOM 282 N PRO A 22 -5.904 -8.421 -4.185 1.00 0.00 N ATOM 283 CA PRO A 22 -6.767 -7.355 -3.705 1.00 0.00 C ATOM 284 C PRO A 22 -6.818 -6.199 -4.706 1.00 0.00 C ATOM 285 O PRO A 22 -5.783 -5.753 -5.199 1.00 0.00 O ATOM 286 CB PRO A 22 -6.183 -6.951 -2.361 1.00 0.00 C ATOM 287 CG PRO A 22 -4.757 -7.478 -2.351 1.00 0.00 C ATOM 288 CD PRO A 22 -4.618 -8.467 -3.496 1.00 0.00 C ATOM 0 HA PRO A 22 -7.804 -7.671 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.200 -5.868 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.762 -7.375 -1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.047 -6.659 -2.465 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.535 -7.962 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.802 -8.189 -4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.402 -9.470 -3.129 1.00 0.00 H new ATOM 296 N GLY A 23 -8.034 -5.746 -4.977 1.00 0.00 N ATOM 297 CA GLY A 23 -8.234 -4.650 -5.910 1.00 0.00 C ATOM 298 C GLY A 23 -8.418 -3.325 -5.168 1.00 0.00 C ATOM 299 O GLY A 23 -8.267 -3.266 -3.948 1.00 0.00 O ATOM 0 H GLY A 23 -8.890 -6.118 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.379 -4.579 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.109 -4.849 -6.528 1.00 0.00 H new ATOM 303 N ASN A 24 -8.742 -2.294 -5.935 1.00 0.00 N ATOM 304 CA ASN A 24 -8.949 -0.973 -5.365 1.00 0.00 C ATOM 305 C ASN A 24 -7.760 -0.617 -4.471 1.00 0.00 C ATOM 306 O ASN A 24 -7.896 0.172 -3.537 1.00 0.00 O ATOM 307 CB ASN A 24 -10.215 -0.936 -4.507 1.00 0.00 C ATOM 308 CG ASN A 24 -10.882 0.439 -4.575 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.397 0.858 -5.599 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.846 1.116 -3.431 1.00 0.00 N ATOM 0 H ASN A 24 -8.866 -2.347 -6.946 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.049 -0.263 -6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.913 -1.700 -4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.965 -1.172 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.265 2.044 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.399 0.707 -2.610 1.00 0.00 H new ATOM 317 N VAL A 25 -6.621 -1.216 -4.787 1.00 0.00 N ATOM 318 CA VAL A 25 -5.409 -0.971 -4.024 1.00 0.00 C ATOM 319 C VAL A 25 -5.019 0.502 -4.154 1.00 0.00 C ATOM 320 O VAL A 25 -4.375 0.894 -5.126 1.00 0.00 O ATOM 321 CB VAL A 25 -4.303 -1.926 -4.478 1.00 0.00 C ATOM 322 CG1 VAL A 25 -3.050 -1.762 -3.617 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.791 -3.376 -4.467 1.00 0.00 C ATOM 0 H VAL A 25 -6.512 -1.871 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.577 -1.170 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.040 -1.670 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.279 -2.452 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.683 -0.739 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.293 -1.978 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.985 -4.034 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.096 -3.650 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.640 -3.479 -5.142 1.00 0.00 H new ATOM 333 N VAL A 26 -5.425 1.279 -3.160 1.00 0.00 N ATOM 334 CA VAL A 26 -5.125 2.701 -3.151 1.00 0.00 C ATOM 335 C VAL A 26 -4.039 2.982 -2.111 1.00 0.00 C ATOM 336 O VAL A 26 -3.942 2.281 -1.104 1.00 0.00 O ATOM 337 CB VAL A 26 -6.405 3.504 -2.912 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.424 3.257 -4.026 1.00 0.00 C ATOM 339 CG2 VAL A 26 -7.004 3.184 -1.541 1.00 0.00 C ATOM 0 H VAL A 26 -5.959 0.951 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.736 3.016 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.144 4.562 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.324 3.840 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.997 3.557 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.678 2.197 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.913 3.768 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.242 2.122 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.284 3.434 -0.762 1.00 0.00 H new ATOM 349 N TRP A 27 -3.249 4.009 -2.389 1.00 0.00 N ATOM 350 CA TRP A 27 -2.174 4.391 -1.490 1.00 0.00 C ATOM 351 C TRP A 27 -2.256 5.903 -1.271 1.00 0.00 C ATOM 352 O TRP A 27 -3.121 6.570 -1.837 1.00 0.00 O ATOM 353 CB TRP A 27 -0.817 3.939 -2.033 1.00 0.00 C ATOM 354 CG TRP A 27 -0.489 4.489 -3.423 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.802 3.962 -4.614 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.234 5.703 -3.718 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.336 4.744 -5.652 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.314 5.836 -5.089 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.802 6.657 -2.855 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.954 6.910 -5.719 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.438 7.724 -3.500 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.527 7.873 -4.879 1.00 0.00 C ATOM 0 H TRP A 27 -3.332 4.588 -3.224 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.282 3.893 -0.527 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.037 4.249 -1.337 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.796 2.850 -2.070 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.350 3.041 -4.746 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.448 4.555 -6.648 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.751 6.573 -1.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.003 6.991 -6.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.892 8.485 -2.883 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.036 8.727 -5.301 1.00 0.00 H new ATOM 373 N ASN A 28 -1.345 6.400 -0.448 1.00 0.00 N ATOM 374 CA ASN A 28 -1.303 7.821 -0.147 1.00 0.00 C ATOM 375 C ASN A 28 -0.032 8.134 0.645 1.00 0.00 C ATOM 376 O ASN A 28 0.641 7.225 1.129 1.00 0.00 O ATOM 377 CB ASN A 28 -2.505 8.239 0.703 1.00 0.00 C ATOM 378 CG ASN A 28 -3.673 8.684 -0.179 1.00 0.00 C ATOM 379 OD1 ASN A 28 -3.572 9.611 -0.965 1.00 0.00 O ATOM 380 ND2 ASN A 28 -4.783 7.974 -0.005 1.00 0.00 N ATOM 0 H ASN A 28 -0.630 5.844 0.020 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.321 8.366 -1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.817 7.406 1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.218 9.052 1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.619 8.193 -0.547 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.799 7.210 0.671 1.00 0.00 H new ATOM 387 N ALA A 29 0.258 9.422 0.752 1.00 0.00 N ATOM 388 CA ALA A 29 1.437 9.865 1.477 1.00 0.00 C ATOM 389 C ALA A 29 1.079 11.087 2.325 1.00 0.00 C ATOM 390 O ALA A 29 0.789 12.156 1.789 1.00 0.00 O ATOM 391 CB ALA A 29 2.567 10.154 0.487 1.00 0.00 C ATOM 0 H ALA A 29 -0.303 10.173 0.349 1.00 0.00 H new ATOM 0 HA ALA A 29 1.787 9.085 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.451 10.486 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.803 9.248 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.253 10.934 -0.206 1.00 0.00 H new ATOM 397 N THR A 30 1.112 10.889 3.635 1.00 0.00 N ATOM 398 CA THR A 30 0.794 11.962 4.562 1.00 0.00 C ATOM 399 C THR A 30 1.526 11.753 5.889 1.00 0.00 C ATOM 400 O THR A 30 1.973 10.647 6.189 1.00 0.00 O ATOM 401 CB THR A 30 -0.727 12.024 4.710 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.935 12.957 5.767 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.317 10.717 5.244 1.00 0.00 C ATOM 0 H THR A 30 1.354 10.002 4.076 1.00 0.00 H new ATOM 0 HA THR A 30 1.137 12.926 4.185 1.00 0.00 H new ATOM 0 HB THR A 30 -1.177 12.257 3.745 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.896 13.059 5.929 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.399 10.815 5.330 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.080 9.904 4.558 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.893 10.500 6.225 1.00 0.00 H new ATOM 411 N ASP A 31 1.625 12.834 6.650 1.00 0.00 N ATOM 412 CA ASP A 31 2.295 12.783 7.938 1.00 0.00 C ATOM 413 C ASP A 31 3.585 11.970 7.806 1.00 0.00 C ATOM 414 O ASP A 31 3.930 11.198 8.699 1.00 0.00 O ATOM 415 CB ASP A 31 1.415 12.106 8.990 1.00 0.00 C ATOM 416 CG ASP A 31 -0.068 12.478 8.930 1.00 0.00 C ATOM 417 OD1 ASP A 31 -0.343 13.673 8.687 1.00 0.00 O ATOM 418 OD2 ASP A 31 -0.892 11.560 9.128 1.00 0.00 O ATOM 0 H ASP A 31 1.252 13.750 6.399 1.00 0.00 H new ATOM 0 HA ASP A 31 2.506 13.806 8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.508 11.026 8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.798 12.359 9.979 1.00 0.00 H new ATOM 423 N THR A 32 4.261 12.172 6.685 1.00 0.00 N ATOM 424 CA THR A 32 5.505 11.467 6.425 1.00 0.00 C ATOM 425 C THR A 32 5.297 9.956 6.543 1.00 0.00 C ATOM 426 O THR A 32 6.147 9.249 7.083 1.00 0.00 O ATOM 427 CB THR A 32 6.566 12.011 7.384 1.00 0.00 C ATOM 428 OG1 THR A 32 6.495 11.141 8.510 1.00 0.00 O ATOM 429 CG2 THR A 32 6.196 13.384 7.949 1.00 0.00 C ATOM 0 H THR A 32 3.971 12.813 5.947 1.00 0.00 H new ATOM 0 HA THR A 32 5.850 11.637 5.405 1.00 0.00 H new ATOM 0 HB THR A 32 7.523 12.078 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.582 11.141 8.867 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.982 13.724 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.086 14.096 7.131 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.256 13.311 8.496 1.00 0.00 H new ATOM 437 N LYS A 33 4.162 9.506 6.030 1.00 0.00 N ATOM 438 CA LYS A 33 3.831 8.091 6.071 1.00 0.00 C ATOM 439 C LYS A 33 3.149 7.693 4.761 1.00 0.00 C ATOM 440 O LYS A 33 2.946 8.530 3.883 1.00 0.00 O ATOM 441 CB LYS A 33 3.003 7.771 7.317 1.00 0.00 C ATOM 442 CG LYS A 33 3.515 6.504 8.005 1.00 0.00 C ATOM 443 CD LYS A 33 2.653 6.152 9.219 1.00 0.00 C ATOM 444 CE LYS A 33 3.059 6.982 10.439 1.00 0.00 C ATOM 445 NZ LYS A 33 3.850 6.162 11.383 1.00 0.00 N ATOM 0 H LYS A 33 3.460 10.096 5.584 1.00 0.00 H new ATOM 0 HA LYS A 33 4.737 7.490 6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.047 8.609 8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.957 7.641 7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.509 5.675 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.549 6.649 8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.603 6.329 8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.755 5.091 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.643 7.846 10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.169 7.365 10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.117 6.740 12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.281 5.351 11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.709 5.817 10.908 1.00 0.00 H new ATOM 459 N VAL A 34 2.816 6.414 4.669 1.00 0.00 N ATOM 460 CA VAL A 34 2.161 5.894 3.481 1.00 0.00 C ATOM 461 C VAL A 34 0.934 5.079 3.894 1.00 0.00 C ATOM 462 O VAL A 34 1.059 3.925 4.301 1.00 0.00 O ATOM 463 CB VAL A 34 3.158 5.090 2.643 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.446 4.333 1.521 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.258 5.995 2.083 1.00 0.00 C ATOM 0 H VAL A 34 2.988 5.722 5.398 1.00 0.00 H new ATOM 0 HA VAL A 34 1.811 6.711 2.851 1.00 0.00 H new ATOM 0 HB VAL A 34 3.629 4.355 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.177 3.770 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.717 3.646 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.935 5.043 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.953 5.399 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.811 6.763 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.794 6.468 2.906 1.00 0.00 H new ATOM 475 N LEU A 35 -0.224 5.712 3.776 1.00 0.00 N ATOM 476 CA LEU A 35 -1.473 5.060 4.132 1.00 0.00 C ATOM 477 C LEU A 35 -1.948 4.202 2.958 1.00 0.00 C ATOM 478 O LEU A 35 -2.426 4.728 1.954 1.00 0.00 O ATOM 479 CB LEU A 35 -2.502 6.092 4.597 1.00 0.00 C ATOM 480 CG LEU A 35 -2.053 7.029 5.720 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.188 7.965 6.139 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.495 6.238 6.904 1.00 0.00 C ATOM 0 H LEU A 35 -0.324 6.670 3.439 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.325 4.389 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.792 6.699 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.395 5.562 4.929 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.244 7.654 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.843 8.620 6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.497 8.567 5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.034 7.376 6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.183 6.928 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.266 5.572 7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.638 5.649 6.577 1.00 0.00 H new ATOM 494 N LEU A 36 -1.801 2.896 3.123 1.00 0.00 N ATOM 495 CA LEU A 36 -2.210 1.960 2.090 1.00 0.00 C ATOM 496 C LEU A 36 -3.614 1.441 2.404 1.00 0.00 C ATOM 497 O LEU A 36 -3.970 1.270 3.569 1.00 0.00 O ATOM 498 CB LEU A 36 -1.167 0.852 1.927 1.00 0.00 C ATOM 499 CG LEU A 36 0.231 1.305 1.499 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.174 0.109 1.353 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.168 2.145 0.222 1.00 0.00 C ATOM 0 H LEU A 36 -1.404 2.464 3.957 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.264 2.460 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.081 0.319 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.537 0.137 1.192 1.00 0.00 H new ATOM 0 HG LEU A 36 0.639 1.942 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.160 0.459 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.252 -0.411 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.782 -0.574 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.174 2.454 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.269 1.553 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.447 3.028 0.397 1.00 0.00 H new ATOM 513 N ASN A 37 -4.374 1.204 1.345 1.00 0.00 N ATOM 514 CA ASN A 37 -5.731 0.707 1.493 1.00 0.00 C ATOM 515 C ASN A 37 -6.149 -0.015 0.211 1.00 0.00 C ATOM 516 O ASN A 37 -6.125 0.569 -0.871 1.00 0.00 O ATOM 517 CB ASN A 37 -6.715 1.855 1.731 1.00 0.00 C ATOM 518 CG ASN A 37 -6.016 3.050 2.383 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.021 3.562 1.897 1.00 0.00 O ATOM 520 ND2 ASN A 37 -6.590 3.463 3.510 1.00 0.00 N ATOM 0 H ASN A 37 -4.075 1.347 0.380 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.751 0.031 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.158 2.161 0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.530 1.514 2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.198 4.253 4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.422 2.989 3.862 1.00 0.00 H new ATOM 527 N TRP A 38 -6.521 -1.276 0.375 1.00 0.00 N ATOM 528 CA TRP A 38 -6.944 -2.084 -0.757 1.00 0.00 C ATOM 529 C TRP A 38 -8.223 -2.824 -0.358 1.00 0.00 C ATOM 530 O TRP A 38 -8.622 -2.798 0.805 1.00 0.00 O ATOM 531 CB TRP A 38 -5.824 -3.026 -1.206 1.00 0.00 C ATOM 532 CG TRP A 38 -5.282 -3.924 -0.092 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.676 -5.162 0.235 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.222 -3.600 0.834 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.952 -5.658 1.300 1.00 0.00 N ATOM 536 CE2 TRP A 38 -4.040 -4.679 1.675 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.445 -2.436 0.955 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.084 -4.699 2.698 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.494 -2.472 1.983 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.298 -3.549 2.838 1.00 0.00 C ATOM 0 H TRP A 38 -6.538 -1.758 1.274 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.160 -1.455 -1.621 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.194 -3.654 -2.017 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.005 -2.432 -1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.461 -5.704 -0.271 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.065 -6.575 1.732 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.571 -1.581 0.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.960 -5.555 3.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.870 -1.602 2.120 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.542 -3.499 3.608 1.00 0.00 H new ATOM 551 N GLU A 39 -8.829 -3.465 -1.346 1.00 0.00 N ATOM 552 CA GLU A 39 -10.055 -4.210 -1.114 1.00 0.00 C ATOM 553 C GLU A 39 -9.751 -5.513 -0.371 1.00 0.00 C ATOM 554 O GLU A 39 -8.616 -5.746 0.041 1.00 0.00 O ATOM 555 CB GLU A 39 -10.787 -4.486 -2.429 1.00 0.00 C ATOM 556 CG GLU A 39 -12.094 -3.695 -2.505 1.00 0.00 C ATOM 557 CD GLU A 39 -13.303 -4.615 -2.326 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.752 -5.169 -3.353 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.752 -4.745 -1.167 1.00 0.00 O ATOM 0 H GLU A 39 -8.494 -3.484 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.713 -3.604 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.146 -4.218 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.997 -5.552 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.102 -2.924 -1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.159 -3.185 -3.466 1.00 0.00 H new ATOM 566 N GLN A 40 -10.786 -6.328 -0.224 1.00 0.00 N ATOM 567 CA GLN A 40 -10.644 -7.601 0.461 1.00 0.00 C ATOM 568 C GLN A 40 -10.735 -8.755 -0.539 1.00 0.00 C ATOM 569 O GLN A 40 -11.323 -8.609 -1.609 1.00 0.00 O ATOM 570 CB GLN A 40 -11.692 -7.749 1.566 1.00 0.00 C ATOM 571 CG GLN A 40 -13.105 -7.578 1.007 1.00 0.00 C ATOM 572 CD GLN A 40 -14.153 -8.086 2.000 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.858 -8.423 3.135 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.389 -8.123 1.511 1.00 0.00 N ATOM 0 H GLN A 40 -11.726 -6.131 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.661 -7.630 0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.598 -8.730 2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.513 -7.007 2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.288 -6.526 0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.196 -8.122 0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.567 -7.826 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.159 -8.448 2.095 1.00 0.00 H new ATOM 583 N VAL A 41 -10.143 -9.877 -0.155 1.00 0.00 N ATOM 584 CA VAL A 41 -10.150 -11.055 -1.005 1.00 0.00 C ATOM 585 C VAL A 41 -10.865 -12.198 -0.280 1.00 0.00 C ATOM 586 O VAL A 41 -10.439 -12.619 0.794 1.00 0.00 O ATOM 587 CB VAL A 41 -8.720 -11.411 -1.418 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.640 -12.852 -1.928 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.191 -10.428 -2.464 1.00 0.00 C ATOM 0 H VAL A 41 -9.656 -9.995 0.733 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.701 -10.859 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.086 -11.333 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.613 -13.080 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.957 -13.535 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.293 -12.969 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.173 -10.703 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.828 -10.459 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.194 -9.420 -2.050 1.00 0.00 H new ATOM 599 N LYS A 42 -11.940 -12.666 -0.897 1.00 0.00 N ATOM 600 CA LYS A 42 -12.718 -13.751 -0.324 1.00 0.00 C ATOM 601 C LYS A 42 -12.679 -14.955 -1.268 1.00 0.00 C ATOM 602 O LYS A 42 -13.037 -14.841 -2.439 1.00 0.00 O ATOM 603 CB LYS A 42 -14.133 -13.277 0.011 1.00 0.00 C ATOM 604 CG LYS A 42 -14.195 -12.688 1.421 1.00 0.00 C ATOM 605 CD LYS A 42 -15.628 -12.299 1.791 1.00 0.00 C ATOM 606 CE LYS A 42 -16.213 -13.274 2.815 1.00 0.00 C ATOM 607 NZ LYS A 42 -17.201 -12.588 3.678 1.00 0.00 N ATOM 0 H LYS A 42 -12.290 -12.314 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.283 -14.073 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.450 -12.528 -0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.829 -14.112 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.815 -13.414 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.549 -11.812 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.641 -11.288 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.249 -12.290 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.688 -14.109 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.413 -13.691 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.588 -13.264 4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.737 -11.806 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.973 -12.212 3.091 1.00 0.00 H new ATOM 621 N ALA A 43 -12.243 -16.081 -0.723 1.00 0.00 N ATOM 622 CA ALA A 43 -12.153 -17.304 -1.502 1.00 0.00 C ATOM 623 C ALA A 43 -13.549 -17.912 -1.650 1.00 0.00 C ATOM 624 O ALA A 43 -14.427 -17.669 -0.823 1.00 0.00 O ATOM 625 CB ALA A 43 -11.166 -18.264 -0.834 1.00 0.00 C ATOM 0 H ALA A 43 -11.948 -16.172 0.249 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.776 -17.095 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.099 -19.182 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.183 -17.796 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.512 -18.500 0.172 1.00 0.00 H new ATOM 631 N MET A 44 -13.710 -18.692 -2.709 1.00 0.00 N ATOM 632 CA MET A 44 -14.985 -19.337 -2.976 1.00 0.00 C ATOM 633 C MET A 44 -15.018 -20.749 -2.388 1.00 0.00 C ATOM 634 O MET A 44 -14.116 -21.139 -1.647 1.00 0.00 O ATOM 635 CB MET A 44 -15.215 -19.408 -4.487 1.00 0.00 C ATOM 636 CG MET A 44 -15.193 -18.011 -5.111 1.00 0.00 C ATOM 637 SD MET A 44 -15.006 -18.135 -6.881 1.00 0.00 S ATOM 638 CE MET A 44 -14.363 -16.509 -7.240 1.00 0.00 C ATOM 0 H MET A 44 -12.979 -18.892 -3.392 1.00 0.00 H new ATOM 0 HA MET A 44 -15.774 -18.749 -2.507 1.00 0.00 H new ATOM 0 HB2 MET A 44 -14.445 -20.028 -4.947 1.00 0.00 H new ATOM 0 HB3 MET A 44 -16.173 -19.886 -4.691 1.00 0.00 H new ATOM 0 HG2 MET A 44 -16.115 -17.482 -4.871 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.373 -17.429 -4.690 1.00 0.00 H new ATOM 0 HE1 MET A 44 -14.188 -16.415 -8.312 1.00 0.00 H new ATOM 0 HE2 MET A 44 -15.083 -15.755 -6.923 1.00 0.00 H new ATOM 0 HE3 MET A 44 -13.425 -16.363 -6.705 1.00 0.00 H new ATOM 648 N GLU A 45 -16.067 -21.478 -2.740 1.00 0.00 N ATOM 649 CA GLU A 45 -16.230 -22.838 -2.257 1.00 0.00 C ATOM 650 C GLU A 45 -14.975 -23.661 -2.555 1.00 0.00 C ATOM 651 O GLU A 45 -14.487 -23.669 -3.684 1.00 0.00 O ATOM 652 CB GLU A 45 -17.472 -23.492 -2.866 1.00 0.00 C ATOM 653 CG GLU A 45 -17.865 -24.751 -2.091 1.00 0.00 C ATOM 654 CD GLU A 45 -18.828 -25.618 -2.905 1.00 0.00 C ATOM 655 OE1 GLU A 45 -19.991 -25.186 -3.056 1.00 0.00 O ATOM 656 OE2 GLU A 45 -18.379 -26.693 -3.358 1.00 0.00 O ATOM 0 H GLU A 45 -16.813 -21.152 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.371 -22.804 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.300 -22.784 -2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.279 -23.748 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.972 -25.325 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.332 -24.470 -1.147 1.00 0.00 H new ATOM 663 N ASN A 46 -14.488 -24.335 -1.523 1.00 0.00 N ATOM 664 CA ASN A 46 -13.300 -25.159 -1.660 1.00 0.00 C ATOM 665 C ASN A 46 -12.057 -24.297 -1.427 1.00 0.00 C ATOM 666 O ASN A 46 -11.141 -24.703 -0.714 1.00 0.00 O ATOM 667 CB ASN A 46 -13.203 -25.757 -3.065 1.00 0.00 C ATOM 668 CG ASN A 46 -12.539 -27.135 -3.030 1.00 0.00 C ATOM 669 OD1 ASN A 46 -11.439 -27.310 -2.533 1.00 0.00 O ATOM 670 ND2 ASN A 46 -13.267 -28.100 -3.584 1.00 0.00 N ATOM 0 H ASN A 46 -14.895 -24.327 -0.588 1.00 0.00 H new ATOM 0 HA ASN A 46 -13.363 -25.965 -0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -14.200 -25.841 -3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.630 -25.090 -3.709 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.911 -29.056 -3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.181 -27.885 -3.982 1.00 0.00 H new ATOM 677 N GLU A 47 -12.066 -23.124 -2.042 1.00 0.00 N ATOM 678 CA GLU A 47 -10.951 -22.201 -1.910 1.00 0.00 C ATOM 679 C GLU A 47 -10.716 -21.859 -0.437 1.00 0.00 C ATOM 680 O GLU A 47 -11.606 -22.036 0.394 1.00 0.00 O ATOM 681 CB GLU A 47 -11.186 -20.935 -2.736 1.00 0.00 C ATOM 682 CG GLU A 47 -10.985 -21.209 -4.228 1.00 0.00 C ATOM 683 CD GLU A 47 -12.005 -22.228 -4.741 1.00 0.00 C ATOM 684 OE1 GLU A 47 -13.141 -21.797 -5.032 1.00 0.00 O ATOM 685 OE2 GLU A 47 -11.625 -23.416 -4.830 1.00 0.00 O ATOM 0 H GLU A 47 -12.828 -22.791 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.055 -22.687 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.197 -20.566 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.501 -20.152 -2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.081 -20.279 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.975 -21.582 -4.400 1.00 0.00 H new ATOM 692 N SER A 48 -9.515 -21.374 -0.160 1.00 0.00 N ATOM 693 CA SER A 48 -9.152 -21.006 1.198 1.00 0.00 C ATOM 694 C SER A 48 -9.349 -19.502 1.402 1.00 0.00 C ATOM 695 O SER A 48 -9.013 -18.704 0.528 1.00 0.00 O ATOM 696 CB SER A 48 -7.706 -21.399 1.508 1.00 0.00 C ATOM 697 OG SER A 48 -7.603 -22.751 1.945 1.00 0.00 O ATOM 0 H SER A 48 -8.781 -21.227 -0.853 1.00 0.00 H new ATOM 0 HA SER A 48 -9.802 -21.548 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.093 -21.258 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.307 -20.738 2.277 1.00 0.00 H new ATOM 0 HG SER A 48 -6.665 -22.964 2.131 1.00 0.00 H new ATOM 703 N GLU A 49 -9.892 -19.161 2.562 1.00 0.00 N ATOM 704 CA GLU A 49 -10.137 -17.767 2.891 1.00 0.00 C ATOM 705 C GLU A 49 -8.819 -17.056 3.205 1.00 0.00 C ATOM 706 O GLU A 49 -7.815 -17.703 3.498 1.00 0.00 O ATOM 707 CB GLU A 49 -11.118 -17.645 4.059 1.00 0.00 C ATOM 708 CG GLU A 49 -10.405 -17.847 5.398 1.00 0.00 C ATOM 709 CD GLU A 49 -11.319 -18.548 6.405 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.164 -17.839 6.993 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.151 -19.777 6.565 1.00 0.00 O ATOM 0 H GLU A 49 -10.169 -19.825 3.285 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.590 -17.283 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.592 -16.663 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.912 -18.384 3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.502 -18.439 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.091 -16.882 5.796 1.00 0.00 H new ATOM 718 N VAL A 50 -8.866 -15.734 3.134 1.00 0.00 N ATOM 719 CA VAL A 50 -7.688 -14.928 3.406 1.00 0.00 C ATOM 720 C VAL A 50 -7.607 -14.643 4.907 1.00 0.00 C ATOM 721 O VAL A 50 -8.508 -14.028 5.476 1.00 0.00 O ATOM 722 CB VAL A 50 -7.716 -13.656 2.557 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.559 -12.725 2.926 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.695 -13.992 1.065 1.00 0.00 C ATOM 0 H VAL A 50 -9.701 -15.201 2.892 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.783 -15.468 3.128 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.648 -13.132 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.602 -11.828 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.638 -12.446 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.612 -13.237 2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.716 -13.070 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.788 -14.549 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.567 -14.597 0.816 1.00 0.00 H new ATOM 734 N THR A 51 -6.518 -15.103 5.507 1.00 0.00 N ATOM 735 CA THR A 51 -6.308 -14.905 6.931 1.00 0.00 C ATOM 736 C THR A 51 -5.515 -13.620 7.179 1.00 0.00 C ATOM 737 O THR A 51 -5.429 -13.149 8.312 1.00 0.00 O ATOM 738 CB THR A 51 -5.626 -16.157 7.486 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.416 -16.254 6.738 1.00 0.00 O ATOM 740 CG2 THR A 51 -6.383 -17.440 7.138 1.00 0.00 C ATOM 0 H THR A 51 -5.772 -15.612 5.033 1.00 0.00 H new ATOM 0 HA THR A 51 -7.254 -14.772 7.456 1.00 0.00 H new ATOM 0 HB THR A 51 -5.537 -16.071 8.569 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.910 -17.039 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.856 -18.298 7.556 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.389 -17.393 7.555 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.444 -17.544 6.055 1.00 0.00 H new ATOM 748 N GLY A 52 -4.957 -13.089 6.101 1.00 0.00 N ATOM 749 CA GLY A 52 -4.175 -11.868 6.188 1.00 0.00 C ATOM 750 C GLY A 52 -3.654 -11.452 4.811 1.00 0.00 C ATOM 751 O GLY A 52 -4.219 -11.834 3.788 1.00 0.00 O ATOM 0 H GLY A 52 -5.031 -13.482 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.787 -11.069 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.337 -12.016 6.869 1.00 0.00 H new ATOM 755 N TYR A 53 -2.581 -10.674 4.830 1.00 0.00 N ATOM 756 CA TYR A 53 -1.977 -10.202 3.595 1.00 0.00 C ATOM 757 C TYR A 53 -0.501 -9.856 3.804 1.00 0.00 C ATOM 758 O TYR A 53 -0.039 -9.753 4.939 1.00 0.00 O ATOM 759 CB TYR A 53 -2.737 -8.930 3.214 1.00 0.00 C ATOM 760 CG TYR A 53 -4.179 -9.179 2.764 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.175 -9.348 3.703 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.482 -9.233 1.418 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.532 -9.581 3.279 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.838 -9.466 0.995 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.796 -9.629 1.946 1.00 0.00 C ATOM 766 OH TYR A 53 -8.077 -9.850 1.546 1.00 0.00 O ATOM 0 H TYR A 53 -2.115 -10.359 5.681 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.032 -10.969 2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.745 -8.254 4.069 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.199 -8.424 2.412 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.938 -9.306 4.756 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.702 -9.100 0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.322 -9.715 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.089 -9.510 -0.055 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.684 -9.711 2.302 1.00 0.00 H new ATOM 776 N LYS A 54 0.197 -9.687 2.691 1.00 0.00 N ATOM 777 CA LYS A 54 1.611 -9.355 2.738 1.00 0.00 C ATOM 778 C LYS A 54 1.865 -8.104 1.895 1.00 0.00 C ATOM 779 O LYS A 54 1.655 -8.114 0.683 1.00 0.00 O ATOM 780 CB LYS A 54 2.458 -10.559 2.321 1.00 0.00 C ATOM 781 CG LYS A 54 2.517 -11.602 3.440 1.00 0.00 C ATOM 782 CD LYS A 54 3.558 -12.680 3.131 1.00 0.00 C ATOM 783 CE LYS A 54 3.958 -13.435 4.400 1.00 0.00 C ATOM 784 NZ LYS A 54 5.353 -13.919 4.297 1.00 0.00 N ATOM 0 H LYS A 54 -0.190 -9.774 1.751 1.00 0.00 H new ATOM 0 HA LYS A 54 1.913 -9.119 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.039 -11.009 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.467 -10.230 2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.762 -11.115 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.537 -12.063 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.156 -13.380 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.440 -12.222 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.857 -12.781 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.285 -14.278 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.434 -14.846 4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.616 -14.010 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.991 -13.241 4.761 1.00 0.00 H new ATOM 798 N VAL A 55 2.312 -7.055 2.570 1.00 0.00 N ATOM 799 CA VAL A 55 2.597 -5.799 1.898 1.00 0.00 C ATOM 800 C VAL A 55 4.052 -5.797 1.425 1.00 0.00 C ATOM 801 O VAL A 55 4.964 -5.546 2.211 1.00 0.00 O ATOM 802 CB VAL A 55 2.267 -4.625 2.823 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.424 -3.290 2.091 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.862 -4.767 3.410 1.00 0.00 C ATOM 0 H VAL A 55 2.484 -7.049 3.575 1.00 0.00 H new ATOM 0 HA VAL A 55 1.968 -5.687 1.015 1.00 0.00 H new ATOM 0 HB VAL A 55 2.977 -4.640 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.184 -2.472 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.452 -3.184 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.748 -3.262 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.653 -3.920 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.131 -4.791 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.799 -5.692 3.984 1.00 0.00 H new ATOM 814 N PHE A 56 4.223 -6.079 0.142 1.00 0.00 N ATOM 815 CA PHE A 56 5.552 -6.112 -0.446 1.00 0.00 C ATOM 816 C PHE A 56 5.965 -4.727 -0.947 1.00 0.00 C ATOM 817 O PHE A 56 5.541 -4.298 -2.019 1.00 0.00 O ATOM 818 CB PHE A 56 5.491 -7.074 -1.635 1.00 0.00 C ATOM 819 CG PHE A 56 5.491 -8.552 -1.240 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.355 -9.129 -0.763 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.627 -9.290 -1.365 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.355 -10.500 -0.397 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.626 -10.662 -0.998 1.00 0.00 C ATOM 824 CZ PHE A 56 5.490 -11.238 -0.522 1.00 0.00 C ATOM 0 H PHE A 56 3.464 -6.287 -0.507 1.00 0.00 H new ATOM 0 HA PHE A 56 6.281 -6.431 0.299 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.592 -6.863 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.343 -6.883 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.453 -8.543 -0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.529 -8.833 -1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.453 -10.958 -0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.528 -11.248 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.489 -12.281 -0.243 1.00 0.00 H new ATOM 834 N TYR A 57 6.789 -4.065 -0.147 1.00 0.00 N ATOM 835 CA TYR A 57 7.264 -2.737 -0.496 1.00 0.00 C ATOM 836 C TYR A 57 8.758 -2.760 -0.829 1.00 0.00 C ATOM 837 O TYR A 57 9.544 -3.396 -0.129 1.00 0.00 O ATOM 838 CB TYR A 57 7.044 -1.871 0.746 1.00 0.00 C ATOM 839 CG TYR A 57 7.592 -2.483 2.037 1.00 0.00 C ATOM 840 CD1 TYR A 57 8.890 -2.222 2.427 1.00 0.00 C ATOM 841 CD2 TYR A 57 6.789 -3.295 2.811 1.00 0.00 C ATOM 842 CE1 TYR A 57 9.406 -2.798 3.642 1.00 0.00 C ATOM 843 CE2 TYR A 57 7.304 -3.871 4.026 1.00 0.00 C ATOM 844 CZ TYR A 57 8.588 -3.594 4.381 1.00 0.00 C ATOM 845 OH TYR A 57 9.075 -4.137 5.529 1.00 0.00 O ATOM 0 H TYR A 57 7.139 -4.424 0.741 1.00 0.00 H new ATOM 0 HA TYR A 57 6.735 -2.357 -1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.515 -0.901 0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.976 -1.691 0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.519 -1.586 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.773 -3.499 2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.420 -2.602 3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.686 -4.508 4.641 1.00 0.00 H new ATOM 0 HH TYR A 57 8.380 -4.682 5.954 1.00 0.00 H new ATOM 855 N ARG A 58 9.103 -2.057 -1.897 1.00 0.00 N ATOM 856 CA ARG A 58 10.488 -1.988 -2.332 1.00 0.00 C ATOM 857 C ARG A 58 10.726 -0.716 -3.148 1.00 0.00 C ATOM 858 O ARG A 58 9.831 -0.250 -3.852 1.00 0.00 O ATOM 859 CB ARG A 58 10.861 -3.206 -3.179 1.00 0.00 C ATOM 860 CG ARG A 58 9.801 -3.476 -4.248 1.00 0.00 C ATOM 861 CD ARG A 58 10.420 -4.138 -5.480 1.00 0.00 C ATOM 862 NE ARG A 58 10.888 -3.103 -6.429 1.00 0.00 N ATOM 863 CZ ARG A 58 11.352 -3.366 -7.658 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.412 -4.631 -8.096 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.755 -2.363 -8.451 1.00 0.00 N ATOM 0 H ARG A 58 8.448 -1.530 -2.474 1.00 0.00 H new ATOM 0 HA ARG A 58 11.115 -1.974 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.828 -3.041 -3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.967 -4.081 -2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.022 -4.119 -3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.323 -2.540 -4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.254 -4.773 -5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.686 -4.782 -5.964 1.00 0.00 H new ATOM 0 HE ARG A 58 10.855 -2.129 -6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.104 -5.394 -7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.765 -4.830 -9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.708 -1.400 -8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.108 -2.563 -9.387 1.00 0.00 H new ATOM 879 N THR A 59 11.936 -0.190 -3.027 1.00 0.00 N ATOM 880 CA THR A 59 12.302 1.019 -3.745 1.00 0.00 C ATOM 881 C THR A 59 12.311 0.762 -5.253 1.00 0.00 C ATOM 882 O THR A 59 12.168 -0.378 -5.693 1.00 0.00 O ATOM 883 CB THR A 59 13.649 1.501 -3.203 1.00 0.00 C ATOM 884 OG1 THR A 59 13.376 1.844 -1.847 1.00 0.00 O ATOM 885 CG2 THR A 59 14.098 2.819 -3.838 1.00 0.00 C ATOM 0 H THR A 59 12.676 -0.579 -2.442 1.00 0.00 H new ATOM 0 HA THR A 59 11.569 1.810 -3.586 1.00 0.00 H new ATOM 0 HB THR A 59 14.405 0.737 -3.380 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.425 2.061 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.059 3.116 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.197 2.688 -4.916 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.358 3.592 -3.633 1.00 0.00 H new ATOM 893 N SER A 60 12.479 1.840 -6.004 1.00 0.00 N ATOM 894 CA SER A 60 12.508 1.746 -7.454 1.00 0.00 C ATOM 895 C SER A 60 13.670 0.855 -7.897 1.00 0.00 C ATOM 896 O SER A 60 13.705 0.396 -9.037 1.00 0.00 O ATOM 897 CB SER A 60 12.626 3.130 -8.094 1.00 0.00 C ATOM 898 OG SER A 60 13.837 3.276 -8.831 1.00 0.00 O ATOM 0 H SER A 60 12.597 2.784 -5.636 1.00 0.00 H new ATOM 0 HA SER A 60 11.570 1.301 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.776 3.297 -8.756 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.580 3.894 -7.318 1.00 0.00 H new ATOM 0 HG SER A 60 13.874 4.172 -9.226 1.00 0.00 H new ATOM 904 N SER A 61 14.594 0.638 -6.972 1.00 0.00 N ATOM 905 CA SER A 61 15.754 -0.190 -7.253 1.00 0.00 C ATOM 906 C SER A 61 16.448 -0.580 -5.946 1.00 0.00 C ATOM 907 O SER A 61 17.529 -0.079 -5.639 1.00 0.00 O ATOM 908 CB SER A 61 16.735 0.533 -8.179 1.00 0.00 C ATOM 909 OG SER A 61 16.379 0.386 -9.551 1.00 0.00 O ATOM 0 H SER A 61 14.562 1.021 -6.027 1.00 0.00 H new ATOM 0 HA SER A 61 15.415 -1.093 -7.760 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.762 1.592 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.740 0.141 -8.021 1.00 0.00 H new ATOM 0 HG SER A 61 15.410 0.264 -9.626 1.00 0.00 H new ATOM 915 N GLN A 62 15.798 -1.470 -5.211 1.00 0.00 N ATOM 916 CA GLN A 62 16.339 -1.932 -3.944 1.00 0.00 C ATOM 917 C GLN A 62 16.990 -3.307 -4.115 1.00 0.00 C ATOM 918 O GLN A 62 17.125 -3.799 -5.234 1.00 0.00 O ATOM 919 CB GLN A 62 15.255 -1.969 -2.865 1.00 0.00 C ATOM 920 CG GLN A 62 15.578 -0.997 -1.729 1.00 0.00 C ATOM 921 CD GLN A 62 16.090 -1.745 -0.497 1.00 0.00 C ATOM 922 OE1 GLN A 62 16.299 -2.947 -0.510 1.00 0.00 O ATOM 923 NE2 GLN A 62 16.280 -0.969 0.567 1.00 0.00 N ATOM 0 H GLN A 62 14.902 -1.883 -5.468 1.00 0.00 H new ATOM 0 HA GLN A 62 17.104 -1.227 -3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.291 -1.713 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.166 -2.980 -2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.329 -0.280 -2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.686 -0.427 -1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.085 0.031 0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.620 -1.374 1.439 1.00 0.00 H new ATOM 932 N ASN A 63 17.376 -3.887 -2.988 1.00 0.00 N ATOM 933 CA ASN A 63 18.009 -5.195 -2.999 1.00 0.00 C ATOM 934 C ASN A 63 16.931 -6.278 -3.061 1.00 0.00 C ATOM 935 O ASN A 63 16.778 -6.949 -4.080 1.00 0.00 O ATOM 936 CB ASN A 63 18.832 -5.419 -1.729 1.00 0.00 C ATOM 937 CG ASN A 63 20.030 -4.468 -1.677 1.00 0.00 C ATOM 938 OD1 ASN A 63 20.195 -3.590 -2.508 1.00 0.00 O ATOM 939 ND2 ASN A 63 20.854 -4.692 -0.657 1.00 0.00 N ATOM 0 H ASN A 63 17.263 -3.475 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 63 18.666 -5.245 -3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 63 18.203 -5.266 -0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.181 -6.451 -1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.684 -4.111 -0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.656 -5.444 0.003 1.00 0.00 H new ATOM 946 N ASN A 64 16.211 -6.416 -1.957 1.00 0.00 N ATOM 947 CA ASN A 64 15.151 -7.406 -1.873 1.00 0.00 C ATOM 948 C ASN A 64 13.951 -6.802 -1.141 1.00 0.00 C ATOM 949 O ASN A 64 14.089 -6.294 -0.029 1.00 0.00 O ATOM 950 CB ASN A 64 15.610 -8.639 -1.091 1.00 0.00 C ATOM 951 CG ASN A 64 15.979 -9.783 -2.038 1.00 0.00 C ATOM 952 OD1 ASN A 64 16.232 -9.591 -3.216 1.00 0.00 O ATOM 953 ND2 ASN A 64 15.996 -10.980 -1.459 1.00 0.00 N ATOM 0 H ASN A 64 16.341 -5.858 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 64 14.884 -7.701 -2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.470 -8.382 -0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.817 -8.962 -0.416 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.231 -11.808 -2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.774 -11.070 -0.468 1.00 0.00 H new ATOM 960 N VAL A 65 12.801 -6.877 -1.795 1.00 0.00 N ATOM 961 CA VAL A 65 11.578 -6.344 -1.220 1.00 0.00 C ATOM 962 C VAL A 65 11.296 -7.046 0.110 1.00 0.00 C ATOM 963 O VAL A 65 11.655 -8.208 0.291 1.00 0.00 O ATOM 964 CB VAL A 65 10.428 -6.477 -2.222 1.00 0.00 C ATOM 965 CG1 VAL A 65 10.163 -7.945 -2.560 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.162 -5.797 -1.696 1.00 0.00 C ATOM 0 H VAL A 65 12.691 -7.299 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 65 11.687 -5.280 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 65 10.723 -5.970 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.342 -8.012 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.059 -8.385 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.899 -8.486 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.360 -5.906 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.863 -6.262 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.360 -4.738 -1.530 1.00 0.00 H new ATOM 976 N GLN A 66 10.656 -6.310 1.006 1.00 0.00 N ATOM 977 CA GLN A 66 10.321 -6.847 2.314 1.00 0.00 C ATOM 978 C GLN A 66 8.828 -7.171 2.390 1.00 0.00 C ATOM 979 O GLN A 66 8.067 -6.822 1.488 1.00 0.00 O ATOM 980 CB GLN A 66 10.729 -5.878 3.426 1.00 0.00 C ATOM 981 CG GLN A 66 12.227 -5.981 3.721 1.00 0.00 C ATOM 982 CD GLN A 66 12.478 -6.184 5.216 1.00 0.00 C ATOM 983 OE1 GLN A 66 12.188 -7.223 5.786 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.032 -5.135 5.819 1.00 0.00 N ATOM 0 H GLN A 66 10.360 -5.346 0.852 1.00 0.00 H new ATOM 0 HA GLN A 66 10.881 -7.771 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.482 -4.858 3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.161 -6.096 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.655 -6.812 3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.731 -5.075 3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.250 -4.295 5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.239 -5.171 6.817 1.00 0.00 H new ATOM 993 N VAL A 67 8.452 -7.834 3.473 1.00 0.00 N ATOM 994 CA VAL A 67 7.064 -8.208 3.678 1.00 0.00 C ATOM 995 C VAL A 67 6.586 -7.664 5.026 1.00 0.00 C ATOM 996 O VAL A 67 7.361 -7.589 5.979 1.00 0.00 O ATOM 997 CB VAL A 67 6.907 -9.725 3.557 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.565 -10.186 4.128 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.069 -10.179 2.104 1.00 0.00 C ATOM 0 H VAL A 67 9.086 -8.122 4.219 1.00 0.00 H new ATOM 0 HA VAL A 67 6.433 -7.766 2.907 1.00 0.00 H new ATOM 0 HB VAL A 67 7.698 -10.191 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.480 -11.268 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.504 -9.912 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.753 -9.707 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.953 -11.261 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.310 -9.699 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.059 -9.901 1.744 1.00 0.00 H new ATOM 1009 N LEU A 68 5.314 -7.298 5.063 1.00 0.00 N ATOM 1010 CA LEU A 68 4.724 -6.763 6.279 1.00 0.00 C ATOM 1011 C LEU A 68 3.393 -7.467 6.548 1.00 0.00 C ATOM 1012 O LEU A 68 2.554 -7.577 5.655 1.00 0.00 O ATOM 1013 CB LEU A 68 4.608 -5.240 6.193 1.00 0.00 C ATOM 1014 CG LEU A 68 3.382 -4.621 6.868 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.715 -3.251 7.460 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.198 -4.555 5.900 1.00 0.00 C ATOM 0 H LEU A 68 4.675 -7.361 4.271 1.00 0.00 H new ATOM 0 HA LEU A 68 5.369 -6.963 7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.502 -4.802 6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.601 -4.955 5.141 1.00 0.00 H new ATOM 0 HG LEU A 68 3.086 -5.266 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.826 -2.834 7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.506 -3.358 8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.051 -2.584 6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.340 -4.111 6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.467 -3.945 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.943 -5.561 5.568 1.00 0.00 H new ATOM 1028 N ASN A 69 3.241 -7.925 7.782 1.00 0.00 N ATOM 1029 CA ASN A 69 2.026 -8.616 8.179 1.00 0.00 C ATOM 1030 C ASN A 69 0.932 -7.587 8.472 1.00 0.00 C ATOM 1031 O ASN A 69 1.182 -6.583 9.138 1.00 0.00 O ATOM 1032 CB ASN A 69 2.251 -9.441 9.447 1.00 0.00 C ATOM 1033 CG ASN A 69 2.642 -10.880 9.103 1.00 0.00 C ATOM 1034 OD1 ASN A 69 1.817 -11.775 9.030 1.00 0.00 O ATOM 1035 ND2 ASN A 69 3.945 -11.051 8.897 1.00 0.00 N ATOM 0 H ASN A 69 3.939 -7.831 8.520 1.00 0.00 H new ATOM 0 HA ASN A 69 1.734 -9.279 7.365 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.035 -8.982 10.050 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.343 -9.441 10.051 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.307 -11.975 8.662 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.582 -10.258 8.974 1.00 0.00 H new ATOM 1042 N THR A 70 -0.257 -7.872 7.962 1.00 0.00 N ATOM 1043 CA THR A 70 -1.389 -6.984 8.161 1.00 0.00 C ATOM 1044 C THR A 70 -2.700 -7.771 8.110 1.00 0.00 C ATOM 1045 O THR A 70 -3.074 -8.293 7.061 1.00 0.00 O ATOM 1046 CB THR A 70 -1.307 -5.871 7.115 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.619 -5.314 7.097 1.00 0.00 O ATOM 1048 CG2 THR A 70 -1.114 -6.413 5.697 1.00 0.00 C ATOM 0 H THR A 70 -0.461 -8.706 7.411 1.00 0.00 H new ATOM 0 HA THR A 70 -1.361 -6.524 9.149 1.00 0.00 H new ATOM 0 HB THR A 70 -0.484 -5.200 7.363 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.612 -4.478 6.586 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.062 -5.582 4.994 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.188 -6.987 5.650 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.954 -7.057 5.436 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.363 -7.831 9.256 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.624 -8.546 9.354 1.00 0.00 C ATOM 1058 C ASN A 71 -5.760 -7.632 8.893 1.00 0.00 C ATOM 1059 O ASN A 71 -6.748 -7.457 9.604 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.909 -8.963 10.799 1.00 0.00 C ATOM 1061 CG ASN A 71 -3.787 -9.848 11.346 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -2.925 -10.319 10.623 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -3.846 -10.045 12.660 1.00 0.00 N ATOM 0 H ASN A 71 -3.050 -7.396 10.124 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.557 -9.436 8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.014 -8.076 11.423 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.856 -9.500 10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.142 -10.621 13.122 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.596 -9.620 13.206 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.583 -7.074 7.704 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.581 -6.182 7.139 1.00 0.00 C ATOM 1072 C LYS A 72 -6.209 -5.859 5.691 1.00 0.00 C ATOM 1073 O LYS A 72 -5.190 -6.330 5.188 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.754 -4.944 8.021 1.00 0.00 C ATOM 1075 CG LYS A 72 -5.409 -4.257 8.271 1.00 0.00 C ATOM 1076 CD LYS A 72 -5.250 -3.884 9.746 1.00 0.00 C ATOM 1077 CE LYS A 72 -4.218 -2.768 9.921 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.309 -3.075 11.048 1.00 0.00 N ATOM 0 H LYS A 72 -4.763 -7.223 7.116 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.557 -6.667 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.440 -4.245 7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.203 -5.230 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.597 -4.919 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.334 -3.361 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.210 -3.563 10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.943 -4.761 10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.642 -2.650 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.725 -1.821 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.615 -2.308 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.861 -3.165 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.811 -3.968 10.859 1.00 0.00 H new ATOM 1092 N THR A 73 -7.056 -5.059 5.060 1.00 0.00 N ATOM 1093 CA THR A 73 -6.829 -4.668 3.680 1.00 0.00 C ATOM 1094 C THR A 73 -6.092 -3.328 3.619 1.00 0.00 C ATOM 1095 O THR A 73 -5.957 -2.738 2.549 1.00 0.00 O ATOM 1096 CB THR A 73 -8.182 -4.650 2.965 1.00 0.00 C ATOM 1097 OG1 THR A 73 -8.856 -3.526 3.525 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.062 -5.841 3.348 1.00 0.00 C ATOM 0 H THR A 73 -7.901 -4.671 5.480 1.00 0.00 H new ATOM 0 HA THR A 73 -6.184 -5.382 3.168 1.00 0.00 H new ATOM 0 HB THR A 73 -8.023 -4.648 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.041 -2.871 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.010 -5.780 2.813 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.555 -6.768 3.083 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.250 -5.824 4.422 1.00 0.00 H new ATOM 1106 N SER A 74 -5.635 -2.888 4.782 1.00 0.00 N ATOM 1107 CA SER A 74 -4.915 -1.629 4.875 1.00 0.00 C ATOM 1108 C SER A 74 -3.498 -1.874 5.398 1.00 0.00 C ATOM 1109 O SER A 74 -3.136 -3.006 5.715 1.00 0.00 O ATOM 1110 CB SER A 74 -5.650 -0.639 5.780 1.00 0.00 C ATOM 1111 OG SER A 74 -5.969 -1.209 7.046 1.00 0.00 O ATOM 0 H SER A 74 -5.749 -3.381 5.668 1.00 0.00 H new ATOM 0 HA SER A 74 -4.858 -1.194 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.031 0.246 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.566 -0.310 5.289 1.00 0.00 H new ATOM 0 HG SER A 74 -6.436 -0.545 7.595 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.733 -0.795 5.471 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.364 -0.878 5.950 1.00 0.00 C ATOM 1119 C ALA A 75 -0.758 0.526 5.996 1.00 0.00 C ATOM 1120 O ALA A 75 -1.329 1.471 5.453 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.566 -1.827 5.053 1.00 0.00 C ATOM 0 H ALA A 75 -3.036 0.142 5.206 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.336 -1.283 6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.461 -1.889 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.020 -2.818 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.570 -1.451 4.030 1.00 0.00 H new ATOM 1127 N GLU A 76 0.390 0.619 6.651 1.00 0.00 N ATOM 1128 CA GLU A 76 1.080 1.892 6.776 1.00 0.00 C ATOM 1129 C GLU A 76 2.594 1.682 6.724 1.00 0.00 C ATOM 1130 O GLU A 76 3.162 1.015 7.587 1.00 0.00 O ATOM 1131 CB GLU A 76 0.669 2.614 8.061 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.791 3.066 7.993 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.360 3.292 9.395 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -1.249 2.352 10.211 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.894 4.400 9.619 1.00 0.00 O ATOM 0 H GLU A 76 0.860 -0.167 7.101 1.00 0.00 H new ATOM 0 HA GLU A 76 0.792 2.524 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.809 1.952 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.314 3.478 8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.864 3.987 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.384 2.314 7.472 1.00 0.00 H new ATOM 1142 N LEU A 77 3.206 2.266 5.704 1.00 0.00 N ATOM 1143 CA LEU A 77 4.644 2.151 5.529 1.00 0.00 C ATOM 1144 C LEU A 77 5.284 3.531 5.690 1.00 0.00 C ATOM 1145 O LEU A 77 4.584 4.540 5.764 1.00 0.00 O ATOM 1146 CB LEU A 77 4.969 1.474 4.196 1.00 0.00 C ATOM 1147 CG LEU A 77 4.483 0.032 4.040 1.00 0.00 C ATOM 1148 CD1 LEU A 77 3.870 -0.194 2.657 1.00 0.00 C ATOM 1149 CD2 LEU A 77 5.608 -0.961 4.337 1.00 0.00 C ATOM 0 H LEU A 77 2.732 2.820 4.991 1.00 0.00 H new ATOM 0 HA LEU A 77 5.072 1.509 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.537 2.071 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.050 1.489 4.058 1.00 0.00 H new ATOM 0 HG LEU A 77 3.696 -0.144 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.533 -1.227 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.022 0.477 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.618 0.007 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.236 -1.979 4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.433 -0.794 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.958 -0.819 5.360 1.00 0.00 H new ATOM 1161 N VAL A 78 6.608 3.532 5.739 1.00 0.00 N ATOM 1162 CA VAL A 78 7.351 4.772 5.890 1.00 0.00 C ATOM 1163 C VAL A 78 7.412 5.492 4.541 1.00 0.00 C ATOM 1164 O VAL A 78 6.909 4.985 3.539 1.00 0.00 O ATOM 1165 CB VAL A 78 8.734 4.485 6.477 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.625 3.993 7.921 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.500 3.482 5.612 1.00 0.00 C ATOM 0 H VAL A 78 7.186 2.694 5.677 1.00 0.00 H new ATOM 0 HA VAL A 78 6.847 5.437 6.591 1.00 0.00 H new ATOM 0 HB VAL A 78 9.296 5.419 6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.622 3.796 8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.139 4.755 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.036 3.076 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.480 3.296 6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.942 2.547 5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.624 3.888 4.608 1.00 0.00 H new ATOM 1177 N LEU A 79 8.031 6.663 4.559 1.00 0.00 N ATOM 1178 CA LEU A 79 8.164 7.458 3.350 1.00 0.00 C ATOM 1179 C LEU A 79 9.322 6.913 2.511 1.00 0.00 C ATOM 1180 O LEU A 79 10.298 6.398 3.054 1.00 0.00 O ATOM 1181 CB LEU A 79 8.301 8.942 3.697 1.00 0.00 C ATOM 1182 CG LEU A 79 9.146 9.267 4.931 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.479 8.516 4.896 1.00 0.00 C ATOM 1184 CD2 LEU A 79 9.342 10.777 5.078 1.00 0.00 C ATOM 0 H LEU A 79 8.446 7.081 5.392 1.00 0.00 H new ATOM 0 HA LEU A 79 7.264 7.379 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.733 9.457 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.303 9.354 3.846 1.00 0.00 H new ATOM 0 HG LEU A 79 8.607 8.925 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.060 8.765 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.291 7.443 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.036 8.805 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.946 10.981 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.849 11.166 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.371 11.262 5.182 1.00 0.00 H new ATOM 1196 N PRO A 80 9.171 7.049 1.166 1.00 0.00 N ATOM 1197 CA PRO A 80 10.192 6.576 0.247 1.00 0.00 C ATOM 1198 C PRO A 80 11.401 7.514 0.241 1.00 0.00 C ATOM 1199 O PRO A 80 11.285 8.679 -0.136 1.00 0.00 O ATOM 1200 CB PRO A 80 9.498 6.493 -1.103 1.00 0.00 C ATOM 1201 CG PRO A 80 8.254 7.358 -0.986 1.00 0.00 C ATOM 1202 CD PRO A 80 8.028 7.654 0.488 1.00 0.00 C ATOM 0 HA PRO A 80 10.597 5.605 0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.150 6.852 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.236 5.463 -1.345 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.379 8.284 -1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.391 6.844 -1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.980 8.727 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.088 7.227 0.838 1.00 0.00 H new ATOM 1210 N ILE A 81 12.533 6.971 0.663 1.00 0.00 N ATOM 1211 CA ILE A 81 13.762 7.744 0.711 1.00 0.00 C ATOM 1212 C ILE A 81 14.464 7.664 -0.646 1.00 0.00 C ATOM 1213 O ILE A 81 15.355 6.839 -0.840 1.00 0.00 O ATOM 1214 CB ILE A 81 14.635 7.291 1.883 1.00 0.00 C ATOM 1215 CG1 ILE A 81 13.834 7.263 3.186 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.890 8.158 1.999 1.00 0.00 C ATOM 1217 CD1 ILE A 81 13.269 5.867 3.453 1.00 0.00 C ATOM 0 H ILE A 81 12.625 6.004 0.975 1.00 0.00 H new ATOM 0 HA ILE A 81 13.543 8.796 0.895 1.00 0.00 H new ATOM 0 HB ILE A 81 14.966 6.271 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 81 14.473 7.565 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.019 7.985 3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.493 7.815 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.471 8.081 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.601 9.197 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.704 5.875 4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.612 5.578 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.088 5.152 3.531 1.00 0.00 H new ATOM 1229 N LYS A 82 14.035 8.532 -1.551 1.00 0.00 N ATOM 1230 CA LYS A 82 14.610 8.570 -2.884 1.00 0.00 C ATOM 1231 C LYS A 82 14.142 7.344 -3.672 1.00 0.00 C ATOM 1232 O LYS A 82 13.849 6.302 -3.088 1.00 0.00 O ATOM 1233 CB LYS A 82 16.132 8.706 -2.807 1.00 0.00 C ATOM 1234 CG LYS A 82 16.574 10.125 -3.171 1.00 0.00 C ATOM 1235 CD LYS A 82 16.580 11.031 -1.937 1.00 0.00 C ATOM 1236 CE LYS A 82 15.302 11.868 -1.866 1.00 0.00 C ATOM 1237 NZ LYS A 82 15.378 12.836 -0.749 1.00 0.00 N ATOM 0 H LYS A 82 13.295 9.215 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 82 14.261 9.450 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.472 8.462 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.599 7.991 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.571 10.098 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.903 10.536 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.672 10.424 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.449 11.689 -1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.156 12.399 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.440 11.215 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.502 13.396 -0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.496 12.323 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.189 13.470 -0.894 1.00 0.00 H new ATOM 1251 N GLU A 83 14.087 7.510 -4.985 1.00 0.00 N ATOM 1252 CA GLU A 83 13.659 6.431 -5.858 1.00 0.00 C ATOM 1253 C GLU A 83 12.200 6.066 -5.577 1.00 0.00 C ATOM 1254 O GLU A 83 11.775 6.040 -4.423 1.00 0.00 O ATOM 1255 CB GLU A 83 14.569 5.210 -5.707 1.00 0.00 C ATOM 1256 CG GLU A 83 15.829 5.355 -6.562 1.00 0.00 C ATOM 1257 CD GLU A 83 17.047 4.763 -5.850 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.117 4.931 -4.613 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.879 4.157 -6.558 1.00 0.00 O ATOM 0 H GLU A 83 14.332 8.376 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 83 13.734 6.774 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.848 5.087 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.028 4.310 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.683 4.853 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.006 6.408 -6.778 1.00 0.00 H new ATOM 1266 N ASP A 84 11.474 5.794 -6.650 1.00 0.00 N ATOM 1267 CA ASP A 84 10.071 5.431 -6.533 1.00 0.00 C ATOM 1268 C ASP A 84 9.929 4.272 -5.545 1.00 0.00 C ATOM 1269 O ASP A 84 10.923 3.782 -5.010 1.00 0.00 O ATOM 1270 CB ASP A 84 9.505 4.976 -7.880 1.00 0.00 C ATOM 1271 CG ASP A 84 9.610 6.006 -9.007 1.00 0.00 C ATOM 1272 OD1 ASP A 84 10.274 7.039 -8.772 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.024 5.738 -10.077 1.00 0.00 O ATOM 0 H ASP A 84 11.830 5.817 -7.606 1.00 0.00 H new ATOM 0 HA ASP A 84 9.524 6.309 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.025 4.069 -8.188 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.456 4.712 -7.746 1.00 0.00 H new ATOM 1278 N TYR A 85 8.686 3.867 -5.332 1.00 0.00 N ATOM 1279 CA TYR A 85 8.401 2.775 -4.417 1.00 0.00 C ATOM 1280 C TYR A 85 7.401 1.793 -5.030 1.00 0.00 C ATOM 1281 O TYR A 85 6.288 2.177 -5.388 1.00 0.00 O ATOM 1282 CB TYR A 85 7.775 3.415 -3.177 1.00 0.00 C ATOM 1283 CG TYR A 85 8.361 2.916 -1.855 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.729 2.846 -1.690 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.521 2.535 -0.828 1.00 0.00 C ATOM 1286 CE1 TYR A 85 10.281 2.376 -0.445 1.00 0.00 C ATOM 1287 CE2 TYR A 85 8.073 2.065 0.417 1.00 0.00 C ATOM 1288 CZ TYR A 85 9.426 2.009 0.546 1.00 0.00 C ATOM 1289 OH TYR A 85 9.947 1.565 1.722 1.00 0.00 O ATOM 0 H TYR A 85 7.864 4.276 -5.777 1.00 0.00 H new ATOM 0 HA TYR A 85 9.311 2.221 -4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.904 4.496 -3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.702 3.221 -3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.386 3.143 -2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.450 2.589 -0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.350 2.317 -0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.428 1.764 1.229 1.00 0.00 H new ATOM 0 HH TYR A 85 9.219 1.339 2.338 1.00 0.00 H new ATOM 1299 N ILE A 86 7.832 0.544 -5.132 1.00 0.00 N ATOM 1300 CA ILE A 86 6.987 -0.495 -5.695 1.00 0.00 C ATOM 1301 C ILE A 86 6.363 -1.310 -4.561 1.00 0.00 C ATOM 1302 O ILE A 86 7.045 -2.103 -3.913 1.00 0.00 O ATOM 1303 CB ILE A 86 7.776 -1.341 -6.698 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.932 -0.541 -7.300 1.00 0.00 C ATOM 1305 CG2 ILE A 86 6.853 -1.916 -7.775 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.432 0.767 -7.916 1.00 0.00 C ATOM 0 H ILE A 86 8.755 0.228 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 86 6.166 -0.054 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 86 8.213 -2.185 -6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.670 -0.324 -6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.434 -1.137 -8.062 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.438 -2.513 -8.475 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.095 -2.545 -7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.367 -1.101 -8.311 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.274 1.316 -8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.712 0.546 -8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.953 1.372 -7.146 1.00 0.00 H new ATOM 1318 N ILE A 87 5.073 -1.087 -4.355 1.00 0.00 N ATOM 1319 CA ILE A 87 4.349 -1.790 -3.310 1.00 0.00 C ATOM 1320 C ILE A 87 3.495 -2.892 -3.940 1.00 0.00 C ATOM 1321 O ILE A 87 2.932 -2.706 -5.017 1.00 0.00 O ATOM 1322 CB ILE A 87 3.549 -0.804 -2.456 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.316 0.506 -2.267 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.152 -1.434 -1.119 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.881 1.216 -0.984 1.00 0.00 C ATOM 0 H ILE A 87 4.511 -0.429 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 87 5.044 -2.277 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 87 2.627 -0.563 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.386 0.303 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.145 1.158 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.585 -0.713 -0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.539 -2.317 -1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.050 -1.722 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.442 2.144 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.815 1.440 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.076 0.571 -0.127 1.00 0.00 H new ATOM 1337 N GLU A 88 3.426 -4.016 -3.241 1.00 0.00 N ATOM 1338 CA GLU A 88 2.651 -5.148 -3.719 1.00 0.00 C ATOM 1339 C GLU A 88 1.842 -5.758 -2.573 1.00 0.00 C ATOM 1340 O GLU A 88 2.405 -6.152 -1.552 1.00 0.00 O ATOM 1341 CB GLU A 88 3.555 -6.195 -4.371 1.00 0.00 C ATOM 1342 CG GLU A 88 3.523 -6.074 -5.896 1.00 0.00 C ATOM 1343 CD GLU A 88 3.211 -7.424 -6.547 1.00 0.00 C ATOM 1344 OE1 GLU A 88 3.863 -8.411 -6.145 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.327 -7.437 -7.431 1.00 0.00 O ATOM 0 H GLU A 88 3.894 -4.167 -2.347 1.00 0.00 H new ATOM 0 HA GLU A 88 1.956 -4.793 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.577 -6.071 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.233 -7.193 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.771 -5.342 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.484 -5.706 -6.255 1.00 0.00 H new ATOM 1352 N VAL A 89 0.535 -5.818 -2.779 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.357 -6.374 -1.776 1.00 0.00 C ATOM 1354 C VAL A 89 -0.588 -7.858 -2.072 1.00 0.00 C ATOM 1355 O VAL A 89 -0.913 -8.226 -3.199 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.655 -5.566 -1.724 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.592 -6.102 -0.639 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.366 -4.078 -1.512 1.00 0.00 C ATOM 0 H VAL A 89 0.072 -5.490 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 89 0.092 -6.306 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.157 -5.677 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.507 -5.510 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.837 -7.143 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.100 -6.036 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.305 -3.526 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.831 -3.942 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.755 -3.705 -2.334 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.412 -8.669 -1.039 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.597 -10.103 -1.173 1.00 0.00 C ATOM 1370 C LYS A 90 -1.590 -10.587 -0.114 1.00 0.00 C ATOM 1371 O LYS A 90 -1.707 -9.985 0.953 1.00 0.00 O ATOM 1372 CB LYS A 90 0.751 -10.825 -1.127 1.00 0.00 C ATOM 1373 CG LYS A 90 1.227 -11.189 -2.535 1.00 0.00 C ATOM 1374 CD LYS A 90 1.816 -12.601 -2.566 1.00 0.00 C ATOM 1375 CE LYS A 90 3.315 -12.563 -2.872 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.933 -13.879 -2.597 1.00 0.00 N ATOM 0 H LYS A 90 -0.143 -8.359 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.027 -10.341 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.492 -10.189 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.663 -11.729 -0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.393 -11.124 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.977 -10.471 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.649 -13.090 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.302 -13.197 -3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.472 -12.292 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.796 -11.795 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.950 -13.836 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.799 -14.123 -1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.485 -14.604 -3.193 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.280 -11.668 -0.445 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.259 -12.239 0.464 1.00 0.00 C ATOM 1392 C ALA A 91 -2.749 -13.588 0.974 1.00 0.00 C ATOM 1393 O ALA A 91 -2.447 -14.481 0.183 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.609 -12.356 -0.247 1.00 0.00 C ATOM 0 H ALA A 91 -2.180 -12.164 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.402 -11.592 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.343 -12.784 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.941 -11.367 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.506 -13.000 -1.120 1.00 0.00 H new ATOM 1400 N THR A 92 -2.670 -13.695 2.292 1.00 0.00 N ATOM 1401 CA THR A 92 -2.202 -14.921 2.916 1.00 0.00 C ATOM 1402 C THR A 92 -3.384 -15.829 3.261 1.00 0.00 C ATOM 1403 O THR A 92 -4.492 -15.350 3.494 1.00 0.00 O ATOM 1404 CB THR A 92 -1.355 -14.539 4.132 1.00 0.00 C ATOM 1405 OG1 THR A 92 -2.311 -14.134 5.108 1.00 0.00 O ATOM 1406 CG2 THR A 92 -0.515 -13.283 3.889 1.00 0.00 C ATOM 0 H THR A 92 -2.922 -12.953 2.945 1.00 0.00 H new ATOM 0 HA THR A 92 -1.577 -15.498 2.234 1.00 0.00 H new ATOM 0 HB THR A 92 -0.699 -15.370 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.848 -13.871 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.067 -13.056 4.782 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.160 -13.453 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.172 -12.444 3.661 1.00 0.00 H new ATOM 1414 N THR A 93 -3.107 -17.125 3.281 1.00 0.00 N ATOM 1415 CA THR A 93 -4.134 -18.104 3.593 1.00 0.00 C ATOM 1416 C THR A 93 -3.574 -19.189 4.516 1.00 0.00 C ATOM 1417 O THR A 93 -2.461 -19.062 5.024 1.00 0.00 O ATOM 1418 CB THR A 93 -4.681 -18.653 2.274 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.515 -18.945 1.509 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.407 -17.585 1.452 1.00 0.00 C ATOM 0 H THR A 93 -2.187 -17.519 3.086 1.00 0.00 H new ATOM 0 HA THR A 93 -4.960 -17.649 4.140 1.00 0.00 H new ATOM 0 HB THR A 93 -5.362 -19.479 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.740 -19.582 0.799 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.776 -18.027 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.246 -17.192 2.026 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.717 -16.775 1.218 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.372 -20.230 4.705 1.00 0.00 N ATOM 1429 CA ASP A 94 -3.969 -21.335 5.558 1.00 0.00 C ATOM 1430 C ASP A 94 -2.856 -22.126 4.869 1.00 0.00 C ATOM 1431 O ASP A 94 -2.044 -22.770 5.533 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.139 -22.288 5.812 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.382 -22.636 7.282 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -5.564 -21.682 8.069 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -5.381 -23.849 7.586 1.00 0.00 O ATOM 0 H ASP A 94 -5.295 -20.331 4.282 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.627 -20.922 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.046 -21.842 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.963 -23.211 5.260 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.852 -22.052 3.546 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.851 -22.753 2.760 1.00 0.00 C ATOM 1442 C GLY A 95 -0.546 -21.957 2.699 1.00 0.00 C ATOM 1443 O GLY A 95 0.540 -22.534 2.736 1.00 0.00 O ATOM 0 H GLY A 95 -3.526 -21.517 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.663 -23.734 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.227 -22.920 1.751 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.695 -20.644 2.606 1.00 0.00 N ATOM 1448 CA GLY A 96 0.459 -19.763 2.539 1.00 0.00 C ATOM 1449 C GLY A 96 0.083 -18.413 1.924 1.00 0.00 C ATOM 1450 O GLY A 96 -0.942 -17.830 2.276 1.00 0.00 O ATOM 0 H GLY A 96 -1.597 -20.169 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.863 -19.611 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.244 -20.231 1.946 1.00 0.00 H new ATOM 1454 N ASP A 97 0.933 -17.956 1.016 1.00 0.00 N ATOM 1455 CA ASP A 97 0.703 -16.686 0.349 1.00 0.00 C ATOM 1456 C ASP A 97 -0.282 -16.891 -0.804 1.00 0.00 C ATOM 1457 O ASP A 97 -0.755 -18.004 -1.031 1.00 0.00 O ATOM 1458 CB ASP A 97 2.002 -16.126 -0.233 1.00 0.00 C ATOM 1459 CG ASP A 97 3.283 -16.670 0.403 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.373 -16.600 1.648 1.00 0.00 O ATOM 1461 OD2 ASP A 97 4.142 -17.145 -0.370 1.00 0.00 O ATOM 0 H ASP A 97 1.782 -18.442 0.727 1.00 0.00 H new ATOM 0 HA ASP A 97 0.306 -15.986 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.026 -16.340 -1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.993 -15.041 -0.125 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.561 -15.801 -1.503 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.480 -15.848 -2.627 1.00 0.00 C ATOM 1468 C GLY A 98 -0.924 -15.071 -3.823 1.00 0.00 C ATOM 1469 O GLY A 98 0.233 -15.251 -4.200 1.00 0.00 O ATOM 0 H GLY A 98 -0.167 -14.880 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.658 -16.885 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.442 -15.429 -2.332 1.00 0.00 H new ATOM 1473 N THR A 99 -1.775 -14.225 -4.386 1.00 0.00 N ATOM 1474 CA THR A 99 -1.383 -13.421 -5.531 1.00 0.00 C ATOM 1475 C THR A 99 -1.083 -11.985 -5.096 1.00 0.00 C ATOM 1476 O THR A 99 -1.593 -11.522 -4.077 1.00 0.00 O ATOM 1477 CB THR A 99 -2.493 -13.520 -6.579 1.00 0.00 C ATOM 1478 OG1 THR A 99 -2.852 -14.899 -6.576 1.00 0.00 O ATOM 1479 CG2 THR A 99 -1.980 -13.271 -8.000 1.00 0.00 C ATOM 0 H THR A 99 -2.734 -14.079 -4.070 1.00 0.00 H new ATOM 0 HA THR A 99 -0.460 -13.791 -5.978 1.00 0.00 H new ATOM 0 HB THR A 99 -3.278 -12.801 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.300 -15.122 -7.418 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.807 -13.353 -8.705 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.549 -12.272 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.218 -14.011 -8.247 1.00 0.00 H new ATOM 1487 N SER A 100 -0.257 -11.321 -5.891 1.00 0.00 N ATOM 1488 CA SER A 100 0.117 -9.947 -5.602 1.00 0.00 C ATOM 1489 C SER A 100 -0.588 -8.997 -6.572 1.00 0.00 C ATOM 1490 O SER A 100 -0.474 -9.148 -7.787 1.00 0.00 O ATOM 1491 CB SER A 100 1.633 -9.760 -5.684 1.00 0.00 C ATOM 1492 OG SER A 100 2.339 -10.889 -5.175 1.00 0.00 O ATOM 0 H SER A 100 0.164 -11.709 -6.735 1.00 0.00 H new ATOM 0 HA SER A 100 -0.196 -9.715 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.922 -9.589 -6.721 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.919 -8.870 -5.123 1.00 0.00 H new ATOM 0 HG SER A 100 3.255 -10.886 -5.523 1.00 0.00 H new ATOM 1498 N SER A 101 -1.302 -8.040 -5.998 1.00 0.00 N ATOM 1499 CA SER A 101 -2.026 -7.065 -6.796 1.00 0.00 C ATOM 1500 C SER A 101 -1.067 -6.361 -7.759 1.00 0.00 C ATOM 1501 O SER A 101 0.077 -6.783 -7.920 1.00 0.00 O ATOM 1502 CB SER A 101 -2.733 -6.041 -5.907 1.00 0.00 C ATOM 1503 OG SER A 101 -1.877 -4.957 -5.556 1.00 0.00 O ATOM 0 H SER A 101 -1.395 -7.919 -4.989 1.00 0.00 H new ATOM 0 HA SER A 101 -2.787 -7.592 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.611 -5.656 -6.425 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.087 -6.531 -5.000 1.00 0.00 H new ATOM 0 HG SER A 101 -2.173 -4.144 -6.016 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.569 -5.299 -8.372 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.771 -4.532 -9.313 1.00 0.00 C ATOM 1511 C GLU A 102 0.241 -3.662 -8.566 1.00 0.00 C ATOM 1512 O GLU A 102 -0.135 -2.863 -7.709 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.662 -3.682 -10.221 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.912 -4.383 -11.558 1.00 0.00 C ATOM 1515 CD GLU A 102 -2.905 -3.594 -12.414 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -2.656 -2.383 -12.600 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -3.890 -4.220 -12.862 1.00 0.00 O ATOM 0 H GLU A 102 -2.518 -4.952 -8.235 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.222 -5.229 -9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.613 -3.488 -9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.191 -2.715 -10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.971 -4.494 -12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.297 -5.387 -11.380 1.00 0.00 H new ATOM 1524 N GLN A 103 1.505 -3.845 -8.918 1.00 0.00 N ATOM 1525 CA GLN A 103 2.574 -3.086 -8.291 1.00 0.00 C ATOM 1526 C GLN A 103 2.212 -1.600 -8.242 1.00 0.00 C ATOM 1527 O GLN A 103 1.739 -1.041 -9.230 1.00 0.00 O ATOM 1528 CB GLN A 103 3.901 -3.304 -9.020 1.00 0.00 C ATOM 1529 CG GLN A 103 4.718 -4.412 -8.353 1.00 0.00 C ATOM 1530 CD GLN A 103 5.895 -4.833 -9.236 1.00 0.00 C ATOM 1531 OE1 GLN A 103 7.044 -4.833 -8.825 1.00 0.00 O ATOM 1532 NE2 GLN A 103 5.546 -5.191 -10.469 1.00 0.00 N ATOM 0 H GLN A 103 1.813 -4.508 -9.629 1.00 0.00 H new ATOM 0 HA GLN A 103 2.696 -3.444 -7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.709 -3.565 -10.061 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.474 -2.377 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.088 -4.065 -7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.079 -5.273 -8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.565 -5.168 -10.748 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.259 -5.489 -11.135 1.00 0.00 H new ATOM 1541 N ILE A 104 2.449 -1.004 -7.083 1.00 0.00 N ATOM 1542 CA ILE A 104 2.154 0.406 -6.893 1.00 0.00 C ATOM 1543 C ILE A 104 3.366 1.238 -7.316 1.00 0.00 C ATOM 1544 O ILE A 104 4.481 0.724 -7.388 1.00 0.00 O ATOM 1545 CB ILE A 104 1.699 0.669 -5.456 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.810 -0.467 -4.946 1.00 0.00 C ATOM 1547 CG2 ILE A 104 1.012 2.031 -5.339 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.260 0.061 -3.988 1.00 0.00 C ATOM 0 H ILE A 104 2.842 -1.472 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 104 1.321 0.710 -7.527 1.00 0.00 H new ATOM 0 HB ILE A 104 2.582 0.698 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.333 -0.967 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.422 -1.212 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.698 2.193 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.708 2.816 -5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.139 2.056 -5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.878 -0.767 -3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.220 0.539 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.886 0.788 -4.506 1.00 0.00 H new ATOM 1560 N ARG A 105 3.107 2.509 -7.584 1.00 0.00 N ATOM 1561 CA ARG A 105 4.163 3.417 -7.998 1.00 0.00 C ATOM 1562 C ARG A 105 4.113 4.702 -7.169 1.00 0.00 C ATOM 1563 O ARG A 105 3.302 5.587 -7.438 1.00 0.00 O ATOM 1564 CB ARG A 105 4.036 3.770 -9.481 1.00 0.00 C ATOM 1565 CG ARG A 105 5.415 3.940 -10.124 1.00 0.00 C ATOM 1566 CD ARG A 105 5.325 3.841 -11.648 1.00 0.00 C ATOM 1567 NE ARG A 105 6.427 4.608 -12.271 1.00 0.00 N ATOM 1568 CZ ARG A 105 7.688 4.165 -12.370 1.00 0.00 C ATOM 1569 NH1 ARG A 105 8.014 2.958 -11.888 1.00 0.00 N ATOM 1570 NH2 ARG A 105 8.623 4.929 -12.951 1.00 0.00 N ATOM 0 H ARG A 105 2.181 2.932 -7.523 1.00 0.00 H new ATOM 0 HA ARG A 105 5.116 2.913 -7.837 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.483 2.986 -9.999 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.463 4.691 -9.592 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.835 4.906 -9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.093 3.175 -9.746 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.378 2.797 -11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.364 4.226 -11.990 1.00 0.00 H new ATOM 0 HE ARG A 105 6.213 5.531 -12.648 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.302 2.376 -11.446 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.974 2.621 -11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.375 5.848 -13.318 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.583 4.592 -13.026 1.00 0.00 H new ATOM 1584 N ILE A 106 4.990 4.765 -6.178 1.00 0.00 N ATOM 1585 CA ILE A 106 5.056 5.927 -5.309 1.00 0.00 C ATOM 1586 C ILE A 106 6.401 6.629 -5.504 1.00 0.00 C ATOM 1587 O ILE A 106 7.422 6.175 -4.989 1.00 0.00 O ATOM 1588 CB ILE A 106 4.775 5.528 -3.859 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.433 4.803 -3.740 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.854 6.742 -2.931 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.326 4.061 -2.406 1.00 0.00 C ATOM 0 H ILE A 106 5.661 4.029 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 106 4.280 6.645 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 106 5.548 4.829 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.618 5.522 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.323 4.097 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.650 6.431 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.852 7.178 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.117 7.483 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.363 3.555 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.127 3.326 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.412 4.773 -1.586 1.00 0.00 H new ATOM 1603 N PRO A 107 6.358 7.753 -6.268 1.00 0.00 N ATOM 1604 CA PRO A 107 7.561 8.521 -6.538 1.00 0.00 C ATOM 1605 C PRO A 107 7.980 9.332 -5.309 1.00 0.00 C ATOM 1606 O PRO A 107 7.203 9.487 -4.368 1.00 0.00 O ATOM 1607 CB PRO A 107 7.212 9.393 -7.733 1.00 0.00 C ATOM 1608 CG PRO A 107 5.693 9.422 -7.798 1.00 0.00 C ATOM 1609 CD PRO A 107 5.167 8.319 -6.894 1.00 0.00 C ATOM 0 HA PRO A 107 8.422 7.890 -6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.617 10.398 -7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.635 8.985 -8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.316 10.392 -7.476 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.352 9.271 -8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.477 8.714 -6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.623 7.566 -7.464 1.00 0.00 H new ATOM 1617 N ARG A 108 9.208 9.827 -5.358 1.00 0.00 N ATOM 1618 CA ARG A 108 9.741 10.617 -4.260 1.00 0.00 C ATOM 1619 C ARG A 108 8.666 11.559 -3.715 1.00 0.00 C ATOM 1620 O ARG A 108 7.682 11.846 -4.396 1.00 0.00 O ATOM 1621 CB ARG A 108 10.950 11.440 -4.710 1.00 0.00 C ATOM 1622 CG ARG A 108 12.244 10.636 -4.567 1.00 0.00 C ATOM 1623 CD ARG A 108 13.167 10.865 -5.765 1.00 0.00 C ATOM 1624 NE ARG A 108 13.399 12.314 -5.956 1.00 0.00 N ATOM 1625 CZ ARG A 108 14.139 12.833 -6.945 1.00 0.00 C ATOM 1626 NH1 ARG A 108 14.724 12.024 -7.839 1.00 0.00 N ATOM 1627 NH2 ARG A 108 14.294 14.160 -7.041 1.00 0.00 N ATOM 0 H ARG A 108 9.849 9.697 -6.140 1.00 0.00 H new ATOM 0 HA ARG A 108 10.057 9.927 -3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.820 11.746 -5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.016 12.351 -4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.756 10.924 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.010 9.575 -4.482 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.117 10.354 -5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.722 10.438 -6.664 1.00 0.00 H new ATOM 0 HE ARG A 108 12.968 12.958 -5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.606 11.013 -7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.287 12.419 -8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.849 14.776 -6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.858 14.554 -7.794 1.00 0.00 H new ATOM 1641 N ILE A 109 8.889 12.014 -2.491 1.00 0.00 N ATOM 1642 CA ILE A 109 7.952 12.918 -1.846 1.00 0.00 C ATOM 1643 C ILE A 109 8.579 14.310 -1.746 1.00 0.00 C ATOM 1644 O ILE A 109 9.646 14.556 -2.306 1.00 0.00 O ATOM 1645 CB ILE A 109 7.499 12.349 -0.499 1.00 0.00 C ATOM 1646 CG1 ILE A 109 8.532 11.367 0.056 1.00 0.00 C ATOM 1647 CG2 ILE A 109 6.110 11.719 -0.610 1.00 0.00 C ATOM 1648 CD1 ILE A 109 9.836 12.085 0.413 1.00 0.00 C ATOM 0 H ILE A 109 9.705 11.773 -1.929 1.00 0.00 H new ATOM 0 HA ILE A 109 7.046 13.018 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 109 7.423 13.172 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.131 10.873 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.731 10.589 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.812 11.322 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.392 12.475 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.135 10.910 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.553 11.364 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.247 12.557 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.637 12.846 1.168 1.00 0.00 H new ATOM 1660 N THR A 110 7.889 15.185 -1.028 1.00 0.00 N ATOM 1661 CA THR A 110 8.365 16.546 -0.848 1.00 0.00 C ATOM 1662 C THR A 110 8.951 17.083 -2.155 1.00 0.00 C ATOM 1663 O THR A 110 10.046 17.645 -2.164 1.00 0.00 O ATOM 1664 CB THR A 110 9.363 16.548 0.312 1.00 0.00 C ATOM 1665 OG1 THR A 110 10.414 15.693 -0.132 1.00 0.00 O ATOM 1666 CG2 THR A 110 8.815 15.847 1.557 1.00 0.00 C ATOM 0 H THR A 110 7.004 14.978 -0.564 1.00 0.00 H new ATOM 0 HA THR A 110 7.548 17.221 -0.594 1.00 0.00 H new ATOM 0 HB THR A 110 9.628 17.576 0.560 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.106 15.638 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.562 15.877 2.350 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.910 16.355 1.892 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.581 14.810 1.317 1.00 0.00 H new ATOM 1674 N SER A 111 8.197 16.893 -3.227 1.00 0.00 N ATOM 1675 CA SER A 111 8.628 17.352 -4.536 1.00 0.00 C ATOM 1676 C SER A 111 8.466 18.870 -4.639 1.00 0.00 C ATOM 1677 O SER A 111 9.451 19.606 -4.614 1.00 0.00 O ATOM 1678 CB SER A 111 7.841 16.658 -5.650 1.00 0.00 C ATOM 1679 OG SER A 111 8.345 15.354 -5.927 1.00 0.00 O ATOM 0 H SER A 111 7.290 16.427 -3.216 1.00 0.00 H new ATOM 0 HA SER A 111 9.681 17.096 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.792 16.588 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.884 17.263 -6.556 1.00 0.00 H new ATOM 0 HG SER A 111 7.815 14.944 -6.642 1.00 0.00 H new ATOM 1685 N SER A 112 7.215 19.293 -4.751 1.00 0.00 N ATOM 1686 CA SER A 112 6.911 20.710 -4.857 1.00 0.00 C ATOM 1687 C SER A 112 7.712 21.496 -3.817 1.00 0.00 C ATOM 1688 O SER A 112 7.499 21.340 -2.616 1.00 0.00 O ATOM 1689 CB SER A 112 5.414 20.967 -4.678 1.00 0.00 C ATOM 1690 OG SER A 112 4.927 20.451 -3.442 1.00 0.00 O ATOM 0 H SER A 112 6.401 18.679 -4.771 1.00 0.00 H new ATOM 0 HA SER A 112 7.193 21.047 -5.855 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.222 22.039 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.867 20.510 -5.502 1.00 0.00 H new ATOM 0 HG SER A 112 5.609 20.566 -2.748 1.00 0.00 H new ATOM 1696 N GLY A 113 8.618 22.324 -4.317 1.00 0.00 N ATOM 1697 CA GLY A 113 9.452 23.135 -3.447 1.00 0.00 C ATOM 1698 C GLY A 113 10.833 23.361 -4.066 1.00 0.00 C ATOM 1699 O GLY A 113 11.708 22.502 -3.973 1.00 0.00 O ATOM 0 H GLY A 113 8.792 22.450 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.969 24.095 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.559 22.645 -2.479 1.00 0.00 H new ATOM 1703 N PRO A 114 10.990 24.554 -4.700 1.00 0.00 N ATOM 1704 CA PRO A 114 12.249 24.905 -5.334 1.00 0.00 C ATOM 1705 C PRO A 114 13.302 25.282 -4.290 1.00 0.00 C ATOM 1706 O PRO A 114 14.496 25.076 -4.504 1.00 0.00 O ATOM 1707 CB PRO A 114 11.910 26.048 -6.277 1.00 0.00 C ATOM 1708 CG PRO A 114 10.578 26.602 -5.798 1.00 0.00 C ATOM 1709 CD PRO A 114 9.976 25.596 -4.830 1.00 0.00 C ATOM 0 HA PRO A 114 12.691 24.073 -5.882 1.00 0.00 H new ATOM 0 HB2 PRO A 114 12.683 26.816 -6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 114 11.840 25.697 -7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 114 10.719 27.566 -5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.908 26.768 -6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.756 26.056 -3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 114 9.039 25.191 -5.212 1.00 0.00 H new ATOM 1717 N SER A 115 12.822 25.830 -3.183 1.00 0.00 N ATOM 1718 CA SER A 115 13.707 26.238 -2.106 1.00 0.00 C ATOM 1719 C SER A 115 12.943 26.259 -0.780 1.00 0.00 C ATOM 1720 O SER A 115 12.501 27.315 -0.331 1.00 0.00 O ATOM 1721 CB SER A 115 14.319 27.612 -2.387 1.00 0.00 C ATOM 1722 OG SER A 115 14.984 28.144 -1.244 1.00 0.00 O ATOM 0 H SER A 115 11.832 26.001 -3.009 1.00 0.00 H new ATOM 0 HA SER A 115 14.520 25.515 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 115 15.026 27.532 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.535 28.300 -2.703 1.00 0.00 H new ATOM 0 HG SER A 115 15.362 29.021 -1.464 1.00 0.00 H new ATOM 1728 N SER A 116 12.810 25.079 -0.192 1.00 0.00 N ATOM 1729 CA SER A 116 12.107 24.949 1.073 1.00 0.00 C ATOM 1730 C SER A 116 13.103 24.667 2.199 1.00 0.00 C ATOM 1731 O SER A 116 13.202 25.438 3.152 1.00 0.00 O ATOM 1732 CB SER A 116 11.054 23.840 1.006 1.00 0.00 C ATOM 1733 OG SER A 116 9.982 24.174 0.129 1.00 0.00 O ATOM 0 H SER A 116 13.177 24.205 -0.568 1.00 0.00 H new ATOM 0 HA SER A 116 11.594 25.889 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.523 22.915 0.670 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.660 23.653 2.005 1.00 0.00 H new ATOM 0 HG SER A 116 9.332 23.441 0.112 1.00 0.00 H new ATOM 1739 N GLY A 117 13.817 23.561 2.051 1.00 0.00 N ATOM 1740 CA GLY A 117 14.802 23.168 3.044 1.00 0.00 C ATOM 1741 C GLY A 117 15.476 21.850 2.657 1.00 0.00 C ATOM 1742 O GLY A 117 16.267 21.304 3.424 1.00 0.00 O ATOM 0 H GLY A 117 13.733 22.925 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.555 23.950 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.321 23.063 4.016 1.00 0.00 H new TER 1746 GLY A 117