USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 679 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 63 GLN : amide:sc= -4.31 X(o=-4.3,f=-4!) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0.0483 USER MOD Set 2.1: A 20 GLN : amide:sc= -2.25 K(o=-2.2,f=-3.3) USER MOD Set 2.2: A 74 TYR OH : rot 88:sc= 0.0449 USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 10 SER OG : rot 180:sc= -0.945 USER MOD Set 3.3: A 41 SER OG : rot -49:sc= -0.241 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.858 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 22 SER OG : rot 78:sc= 0.331 USER MOD Single : A 25 THR OG1 : rot -7:sc= -0.2 USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= -0.637 (180deg=-3.54!) USER MOD Single : A 34 GLN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.0118 K(o=0.012,f=-2.7!) USER MOD Single : A 42 GLN : amide:sc= 0.0131 K(o=0.013,f=-1.7!) USER MOD Single : A 44 ASN : amide:sc= -0.64 K(o=-0.64,f=-0.081) USER MOD Single : A 50 MET CE :methyl -158:sc= -3.31! (180deg=-3.97!) USER MOD Single : A 56 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.6) USER MOD Single : A 58 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.374) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 66 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.047) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot -85:sc= 0.405 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -1.04 X(o=-1,f=-0.78) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 4 9.993 0.306 -0.858 1.00 0.00 N ATOM 39 CA LEU A 4 8.624 0.606 -1.263 1.00 0.00 C ATOM 40 C LEU A 4 7.930 1.482 -0.225 1.00 0.00 C ATOM 41 O LEU A 4 8.183 1.360 0.974 1.00 0.00 O ATOM 42 CB LEU A 4 7.834 -0.688 -1.465 1.00 0.00 C ATOM 43 CG LEU A 4 7.951 -1.308 -2.858 1.00 0.00 C ATOM 44 CD1 LEU A 4 9.338 -1.899 -3.063 1.00 0.00 C ATOM 45 CD2 LEU A 4 6.882 -2.371 -3.059 1.00 0.00 C ATOM 0 HA LEU A 4 8.662 1.151 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.170 -1.419 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.782 -0.489 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 4 7.799 -0.523 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.404 -2.336 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.087 -1.114 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.518 -2.672 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.980 -2.802 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.003 -3.155 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.896 -1.919 -2.954 1.00 0.00 H new ATOM 57 N ARG A 5 7.053 2.364 -0.693 1.00 0.00 N ATOM 58 CA ARG A 5 6.321 3.260 0.196 1.00 0.00 C ATOM 59 C ARG A 5 4.835 2.917 0.207 1.00 0.00 C ATOM 60 O ARG A 5 4.134 3.116 -0.785 1.00 0.00 O ATOM 61 CB ARG A 5 6.517 4.716 -0.234 1.00 0.00 C ATOM 62 CG ARG A 5 7.941 5.043 -0.655 1.00 0.00 C ATOM 63 CD ARG A 5 8.011 6.364 -1.404 1.00 0.00 C ATOM 64 NE ARG A 5 7.549 7.483 -0.586 1.00 0.00 N ATOM 65 CZ ARG A 5 7.614 8.756 -0.968 1.00 0.00 C ATOM 66 NH1 ARG A 5 8.120 9.077 -2.152 1.00 0.00 N ATOM 67 NH2 ARG A 5 7.170 9.712 -0.163 1.00 0.00 N ATOM 0 H ARG A 5 6.832 2.478 -1.682 1.00 0.00 H new ATOM 0 HA ARG A 5 6.715 3.132 1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.843 4.935 -1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.232 5.370 0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.581 5.089 0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.327 4.244 -1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.038 6.547 -1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.405 6.301 -2.308 1.00 0.00 H new ATOM 0 HE ARG A 5 7.154 7.276 0.331 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.462 8.346 -2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.167 10.055 -2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.779 9.471 0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.219 10.688 -0.455 1.00 0.00 H new ATOM 81 N VAL A 6 4.361 2.400 1.336 1.00 0.00 N ATOM 82 CA VAL A 6 2.958 2.028 1.475 1.00 0.00 C ATOM 83 C VAL A 6 2.175 3.098 2.228 1.00 0.00 C ATOM 84 O VAL A 6 2.527 3.468 3.348 1.00 0.00 O ATOM 85 CB VAL A 6 2.804 0.682 2.209 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.351 0.231 2.201 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.701 -0.373 1.580 1.00 0.00 C ATOM 0 H VAL A 6 4.927 2.229 2.167 1.00 0.00 H new ATOM 0 HA VAL A 6 2.556 1.932 0.466 1.00 0.00 H new ATOM 0 HB VAL A 6 3.111 0.817 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.263 -0.721 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.735 0.978 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.013 0.112 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.580 -1.317 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.427 -0.507 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.741 -0.052 1.644 1.00 0.00 H new ATOM 97 N TYR A 7 1.110 3.590 1.604 1.00 0.00 N ATOM 98 CA TYR A 7 0.271 4.616 2.213 1.00 0.00 C ATOM 99 C TYR A 7 -0.693 3.999 3.218 1.00 0.00 C ATOM 100 O TYR A 7 -1.148 2.868 3.044 1.00 0.00 O ATOM 101 CB TYR A 7 -0.518 5.366 1.137 1.00 0.00 C ATOM 102 CG TYR A 7 0.247 6.500 0.491 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.312 7.751 1.092 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.900 6.321 -0.723 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.006 8.790 0.503 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.596 7.356 -1.317 1.00 0.00 C ATOM 107 CZ TYR A 7 1.646 8.588 -0.701 1.00 0.00 C ATOM 108 OH TYR A 7 2.339 9.621 -1.290 1.00 0.00 O ATOM 0 H TYR A 7 0.807 3.295 0.676 1.00 0.00 H new ATOM 0 HA TYR A 7 0.921 5.318 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.821 4.659 0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.431 5.764 1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.188 7.914 2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.863 5.358 -1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.047 9.756 0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.099 7.200 -2.260 1.00 0.00 H new ATOM 0 HH TYR A 7 2.732 9.312 -2.133 1.00 0.00 H new ATOM 118 N SER A 8 -1.005 4.750 4.267 1.00 0.00 N ATOM 119 CA SER A 8 -1.920 4.280 5.300 1.00 0.00 C ATOM 120 C SER A 8 -2.562 5.454 6.030 1.00 0.00 C ATOM 121 O SER A 8 -2.221 6.611 5.785 1.00 0.00 O ATOM 122 CB SER A 8 -1.181 3.385 6.297 1.00 0.00 C ATOM 123 OG SER A 8 -2.091 2.611 7.060 1.00 0.00 O ATOM 0 H SER A 8 -0.637 5.688 4.425 1.00 0.00 H new ATOM 0 HA SER A 8 -2.707 3.700 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.498 2.726 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.575 4.000 6.962 1.00 0.00 H new ATOM 0 HG SER A 8 -1.594 2.047 7.688 1.00 0.00 H new ATOM 129 N THR A 9 -3.493 5.150 6.927 1.00 0.00 N ATOM 130 CA THR A 9 -4.181 6.183 7.692 1.00 0.00 C ATOM 131 C THR A 9 -4.236 5.819 9.171 1.00 0.00 C ATOM 132 O THR A 9 -4.990 4.934 9.576 1.00 0.00 O ATOM 133 CB THR A 9 -5.597 6.391 7.151 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.242 7.453 7.831 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.473 5.164 7.281 1.00 0.00 C ATOM 0 H THR A 9 -3.788 4.198 7.142 1.00 0.00 H new ATOM 0 HA THR A 9 -3.620 7.112 7.587 1.00 0.00 H new ATOM 0 HB THR A 9 -5.472 6.618 6.092 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.145 7.572 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.463 5.379 6.879 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.028 4.338 6.726 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.560 4.889 8.332 1.00 0.00 H new ATOM 143 N SER A 10 -3.432 6.508 9.975 1.00 0.00 N ATOM 144 CA SER A 10 -3.389 6.257 11.411 1.00 0.00 C ATOM 145 C SER A 10 -4.758 6.481 12.044 1.00 0.00 C ATOM 146 O SER A 10 -5.166 5.744 12.942 1.00 0.00 O ATOM 147 CB SER A 10 -2.350 7.161 12.077 1.00 0.00 C ATOM 148 OG SER A 10 -2.618 8.527 11.812 1.00 0.00 O ATOM 0 H SER A 10 -2.802 7.244 9.656 1.00 0.00 H new ATOM 0 HA SER A 10 -3.105 5.216 11.564 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.350 6.989 13.153 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.355 6.905 11.714 1.00 0.00 H new ATOM 0 HG SER A 10 -1.941 9.084 12.250 1.00 0.00 H new ATOM 154 N VAL A 11 -5.463 7.503 11.570 1.00 0.00 N ATOM 155 CA VAL A 11 -6.787 7.823 12.089 1.00 0.00 C ATOM 156 C VAL A 11 -7.876 7.121 11.284 1.00 0.00 C ATOM 157 O VAL A 11 -8.456 7.702 10.367 1.00 0.00 O ATOM 158 CB VAL A 11 -7.048 9.342 12.069 1.00 0.00 C ATOM 159 CG1 VAL A 11 -8.356 9.670 12.772 1.00 0.00 C ATOM 160 CG2 VAL A 11 -5.889 10.091 12.708 1.00 0.00 C ATOM 0 H VAL A 11 -5.139 8.123 10.828 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.816 7.471 13.120 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.131 9.663 11.031 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.522 10.747 12.747 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.178 9.164 12.266 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.306 9.334 13.808 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.091 11.162 12.685 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.772 9.766 13.742 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.973 9.883 12.156 1.00 0.00 H new ATOM 170 N THR A 12 -8.146 5.868 11.633 1.00 0.00 N ATOM 171 CA THR A 12 -9.164 5.085 10.943 1.00 0.00 C ATOM 172 C THR A 12 -10.530 5.270 11.596 1.00 0.00 C ATOM 173 O THR A 12 -10.637 5.353 12.820 1.00 0.00 O ATOM 174 CB THR A 12 -8.783 3.604 10.942 1.00 0.00 C ATOM 175 OG1 THR A 12 -7.460 3.426 10.467 1.00 0.00 O ATOM 176 CG2 THR A 12 -9.696 2.751 10.088 1.00 0.00 C ATOM 0 H THR A 12 -7.674 5.373 12.390 1.00 0.00 H new ATOM 0 HA THR A 12 -9.223 5.439 9.914 1.00 0.00 H new ATOM 0 HB THR A 12 -8.877 3.282 11.979 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.235 2.472 10.475 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.369 1.712 10.132 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.718 2.826 10.460 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.659 3.100 9.056 1.00 0.00 H new ATOM 184 N GLY A 13 -11.572 5.334 10.773 1.00 0.00 N ATOM 185 CA GLY A 13 -12.916 5.508 11.290 1.00 0.00 C ATOM 186 C GLY A 13 -13.979 4.981 10.345 1.00 0.00 C ATOM 187 O GLY A 13 -15.128 5.421 10.387 1.00 0.00 O ATOM 0 H GLY A 13 -11.509 5.268 9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.001 4.996 12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.095 6.567 11.477 1.00 0.00 H new ATOM 191 N SER A 14 -13.596 4.036 9.492 1.00 0.00 N ATOM 192 CA SER A 14 -14.527 3.449 8.534 1.00 0.00 C ATOM 193 C SER A 14 -14.866 2.010 8.908 1.00 0.00 C ATOM 194 O SER A 14 -15.935 1.508 8.562 1.00 0.00 O ATOM 195 CB SER A 14 -13.936 3.495 7.123 1.00 0.00 C ATOM 196 OG SER A 14 -14.917 3.868 6.171 1.00 0.00 O ATOM 0 H SER A 14 -12.649 3.661 9.444 1.00 0.00 H new ATOM 0 HA SER A 14 -15.446 4.035 8.557 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.109 4.205 7.095 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.527 2.518 6.865 1.00 0.00 H new ATOM 0 HG SER A 14 -14.514 3.892 5.278 1.00 0.00 H new ATOM 202 N ARG A 15 -13.940 1.352 9.609 1.00 0.00 N ATOM 203 CA ARG A 15 -14.113 -0.041 10.037 1.00 0.00 C ATOM 204 C ARG A 15 -13.715 -1.015 8.941 1.00 0.00 C ATOM 205 O ARG A 15 -13.493 -2.201 9.185 1.00 0.00 O ATOM 206 CB ARG A 15 -15.552 -0.313 10.473 1.00 0.00 C ATOM 207 CG ARG A 15 -16.134 0.768 11.371 1.00 0.00 C ATOM 208 CD ARG A 15 -17.554 1.133 10.963 1.00 0.00 C ATOM 209 NE ARG A 15 -17.632 2.475 10.391 1.00 0.00 N ATOM 210 CZ ARG A 15 -18.699 2.946 9.749 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.777 2.188 9.593 1.00 0.00 N ATOM 212 NH2 ARG A 15 -18.687 4.179 9.261 1.00 0.00 N ATOM 0 H ARG A 15 -13.053 1.766 9.896 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.453 -0.194 10.891 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.178 -0.412 9.586 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -15.589 -1.268 10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.129 0.424 12.405 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.503 1.656 11.328 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.920 0.408 10.236 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.208 1.071 11.833 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.822 3.087 10.489 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.791 1.239 9.966 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.591 2.555 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.861 4.766 9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.504 4.541 8.769 1.00 0.00 H new ATOM 226 N GLU A 16 -13.619 -0.490 7.746 1.00 0.00 N ATOM 227 CA GLU A 16 -13.236 -1.269 6.577 1.00 0.00 C ATOM 228 C GLU A 16 -11.766 -1.040 6.247 1.00 0.00 C ATOM 229 O GLU A 16 -11.084 -1.933 5.745 1.00 0.00 O ATOM 230 CB GLU A 16 -14.107 -0.894 5.377 1.00 0.00 C ATOM 231 CG GLU A 16 -13.848 -1.746 4.146 1.00 0.00 C ATOM 232 CD GLU A 16 -14.956 -2.749 3.886 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.135 -2.339 3.868 1.00 0.00 O ATOM 234 OE2 GLU A 16 -14.643 -3.944 3.701 1.00 0.00 O ATOM 0 H GLU A 16 -13.803 0.493 7.547 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.386 -2.325 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.156 -0.986 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.934 0.153 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.739 -1.098 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.904 -2.277 4.268 1.00 0.00 H new ATOM 241 N ILE A 17 -11.285 0.167 6.535 1.00 0.00 N ATOM 242 CA ILE A 17 -9.894 0.515 6.269 1.00 0.00 C ATOM 243 C ILE A 17 -8.948 -0.374 7.068 1.00 0.00 C ATOM 244 O ILE A 17 -7.861 -0.717 6.603 1.00 0.00 O ATOM 245 CB ILE A 17 -9.595 1.991 6.610 1.00 0.00 C ATOM 246 CG1 ILE A 17 -10.738 2.903 6.150 1.00 0.00 C ATOM 247 CG2 ILE A 17 -8.282 2.423 5.976 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.186 2.653 4.725 1.00 0.00 C ATOM 0 H ILE A 17 -11.837 0.917 6.951 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.733 0.361 5.202 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.507 2.080 7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.589 2.767 6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.421 3.942 6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.084 3.466 6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.472 1.799 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.348 2.314 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.997 3.336 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.349 2.817 4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.535 1.625 4.628 1.00 0.00 H new ATOM 260 N LYS A 18 -9.371 -0.745 8.272 1.00 0.00 N ATOM 261 CA LYS A 18 -8.563 -1.595 9.137 1.00 0.00 C ATOM 262 C LYS A 18 -8.334 -2.960 8.497 1.00 0.00 C ATOM 263 O LYS A 18 -7.218 -3.480 8.503 1.00 0.00 O ATOM 264 CB LYS A 18 -9.241 -1.764 10.498 1.00 0.00 C ATOM 265 CG LYS A 18 -9.584 -0.447 11.175 1.00 0.00 C ATOM 266 CD LYS A 18 -10.745 -0.602 12.146 1.00 0.00 C ATOM 267 CE LYS A 18 -10.401 -0.050 13.521 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.554 -0.135 14.459 1.00 0.00 N ATOM 0 H LYS A 18 -10.269 -0.470 8.670 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.596 -1.113 9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.154 -2.346 10.370 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.586 -2.339 11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.710 -0.073 11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.838 0.296 10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.620 -0.084 11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.010 -1.656 12.232 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.557 -0.603 13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.086 0.989 13.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.278 0.251 15.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.352 0.413 14.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.839 -1.129 14.570 1.00 0.00 H new ATOM 282 N SER A 19 -9.397 -3.535 7.942 1.00 0.00 N ATOM 283 CA SER A 19 -9.308 -4.839 7.295 1.00 0.00 C ATOM 284 C SER A 19 -8.313 -4.804 6.140 1.00 0.00 C ATOM 285 O SER A 19 -7.668 -5.807 5.832 1.00 0.00 O ATOM 286 CB SER A 19 -10.684 -5.274 6.785 1.00 0.00 C ATOM 287 OG SER A 19 -10.842 -6.679 6.878 1.00 0.00 O ATOM 0 H SER A 19 -10.328 -3.119 7.928 1.00 0.00 H new ATOM 0 HA SER A 19 -8.957 -5.561 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.463 -4.778 7.364 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.807 -4.959 5.749 1.00 0.00 H new ATOM 0 HG SER A 19 -11.730 -6.931 6.548 1.00 0.00 H new ATOM 293 N GLN A 20 -8.191 -3.642 5.508 1.00 0.00 N ATOM 294 CA GLN A 20 -7.274 -3.471 4.388 1.00 0.00 C ATOM 295 C GLN A 20 -5.907 -2.997 4.873 1.00 0.00 C ATOM 296 O GLN A 20 -4.885 -3.264 4.240 1.00 0.00 O ATOM 297 CB GLN A 20 -7.847 -2.469 3.383 1.00 0.00 C ATOM 298 CG GLN A 20 -8.838 -3.082 2.406 1.00 0.00 C ATOM 299 CD GLN A 20 -9.913 -3.899 3.095 1.00 0.00 C ATOM 300 OE1 GLN A 20 -9.682 -5.040 3.494 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.098 -3.317 3.240 1.00 0.00 N ATOM 0 H GLN A 20 -8.717 -2.803 5.753 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.151 -4.437 3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.338 -1.663 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.027 -2.021 2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.308 -2.288 1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.301 -3.717 1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.246 -2.369 2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.860 -3.818 3.697 1.00 0.00 H new ATOM 310 N GLN A 21 -5.897 -2.290 5.999 1.00 0.00 N ATOM 311 CA GLN A 21 -4.658 -1.775 6.569 1.00 0.00 C ATOM 312 C GLN A 21 -3.885 -2.878 7.285 1.00 0.00 C ATOM 313 O GLN A 21 -2.677 -3.027 7.095 1.00 0.00 O ATOM 314 CB GLN A 21 -4.959 -0.634 7.543 1.00 0.00 C ATOM 315 CG GLN A 21 -3.770 0.277 7.801 1.00 0.00 C ATOM 316 CD GLN A 21 -3.906 1.061 9.091 1.00 0.00 C ATOM 317 OE1 GLN A 21 -2.970 1.134 9.888 1.00 0.00 O ATOM 318 NE2 GLN A 21 -5.076 1.652 9.305 1.00 0.00 N ATOM 0 H GLN A 21 -6.734 -2.061 6.535 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.042 -1.398 5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.783 -0.039 7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.295 -1.056 8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.860 -0.321 7.838 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.661 0.971 6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.824 1.565 8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.226 2.193 10.157 1.00 0.00 H new ATOM 327 N SER A 22 -4.587 -3.647 8.110 1.00 0.00 N ATOM 328 CA SER A 22 -3.966 -4.735 8.857 1.00 0.00 C ATOM 329 C SER A 22 -3.559 -5.875 7.928 1.00 0.00 C ATOM 330 O SER A 22 -2.502 -6.481 8.099 1.00 0.00 O ATOM 331 CB SER A 22 -4.922 -5.254 9.931 1.00 0.00 C ATOM 332 OG SER A 22 -5.408 -4.195 10.737 1.00 0.00 O ATOM 0 H SER A 22 -5.587 -3.537 8.279 1.00 0.00 H new ATOM 0 HA SER A 22 -3.068 -4.345 9.336 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.759 -5.769 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.409 -5.985 10.556 1.00 0.00 H new ATOM 0 HG SER A 22 -6.107 -3.709 10.252 1.00 0.00 H new ATOM 338 N GLU A 23 -4.407 -6.163 6.945 1.00 0.00 N ATOM 339 CA GLU A 23 -4.137 -7.232 5.990 1.00 0.00 C ATOM 340 C GLU A 23 -2.824 -6.989 5.251 1.00 0.00 C ATOM 341 O GLU A 23 -1.982 -7.881 5.151 1.00 0.00 O ATOM 342 CB GLU A 23 -5.286 -7.349 4.987 1.00 0.00 C ATOM 343 CG GLU A 23 -5.101 -8.472 3.979 1.00 0.00 C ATOM 344 CD GLU A 23 -6.386 -9.228 3.707 1.00 0.00 C ATOM 345 OE1 GLU A 23 -7.233 -9.308 4.621 1.00 0.00 O ATOM 346 OE2 GLU A 23 -6.545 -9.742 2.579 1.00 0.00 O ATOM 0 H GLU A 23 -5.287 -5.671 6.789 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.050 -8.166 6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.217 -7.510 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.388 -6.405 4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.723 -8.058 3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.346 -9.166 4.349 1.00 0.00 H new ATOM 353 N VAL A 24 -2.658 -5.777 4.733 1.00 0.00 N ATOM 354 CA VAL A 24 -1.449 -5.418 4.000 1.00 0.00 C ATOM 355 C VAL A 24 -0.231 -5.407 4.918 1.00 0.00 C ATOM 356 O VAL A 24 0.889 -5.677 4.482 1.00 0.00 O ATOM 357 CB VAL A 24 -1.586 -4.037 3.331 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.375 -3.741 2.458 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.869 -3.962 2.516 1.00 0.00 C ATOM 0 H VAL A 24 -3.345 -5.027 4.807 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.312 -6.175 3.228 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.634 -3.280 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.491 -2.761 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.526 -3.748 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.291 -4.502 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.948 -2.979 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.854 -4.729 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.726 -4.124 3.170 1.00 0.00 H new ATOM 369 N THR A 25 -0.454 -5.093 6.189 1.00 0.00 N ATOM 370 CA THR A 25 0.628 -5.046 7.166 1.00 0.00 C ATOM 371 C THR A 25 0.957 -6.442 7.686 1.00 0.00 C ATOM 372 O THR A 25 2.103 -6.733 8.027 1.00 0.00 O ATOM 373 CB THR A 25 0.250 -4.131 8.333 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.879 -4.638 9.022 1.00 0.00 O ATOM 375 CG2 THR A 25 -0.070 -2.716 7.904 1.00 0.00 C ATOM 0 H THR A 25 -1.374 -4.867 6.567 1.00 0.00 H new ATOM 0 HA THR A 25 1.512 -4.646 6.670 1.00 0.00 H new ATOM 0 HB THR A 25 1.128 -4.107 8.978 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.238 -5.411 8.538 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.330 -2.120 8.779 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.800 -2.279 7.413 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.911 -2.727 7.210 1.00 0.00 H new ATOM 383 N ARG A 26 -0.055 -7.301 7.745 1.00 0.00 N ATOM 384 CA ARG A 26 0.128 -8.666 8.226 1.00 0.00 C ATOM 385 C ARG A 26 1.054 -9.452 7.302 1.00 0.00 C ATOM 386 O ARG A 26 1.902 -10.217 7.762 1.00 0.00 O ATOM 387 CB ARG A 26 -1.225 -9.374 8.341 1.00 0.00 C ATOM 388 CG ARG A 26 -1.487 -9.963 9.718 1.00 0.00 C ATOM 389 CD ARG A 26 -2.611 -10.986 9.682 1.00 0.00 C ATOM 390 NE ARG A 26 -2.104 -12.356 9.681 1.00 0.00 N ATOM 391 CZ ARG A 26 -2.866 -13.429 9.477 1.00 0.00 C ATOM 392 NH1 ARG A 26 -4.168 -13.294 9.257 1.00 0.00 N ATOM 393 NH2 ARG A 26 -2.324 -14.639 9.491 1.00 0.00 N ATOM 0 H ARG A 26 -1.010 -7.077 7.466 1.00 0.00 H new ATOM 0 HA ARG A 26 0.589 -8.618 9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.018 -8.666 8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.273 -10.171 7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.578 -10.433 10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.743 -9.164 10.414 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.261 -10.841 10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.220 -10.824 8.793 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.108 -12.499 9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.589 -12.365 9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.747 -14.119 9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.324 -14.748 9.658 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.907 -15.461 9.335 1.00 0.00 H new ATOM 407 N ILE A 27 0.884 -9.261 5.998 1.00 0.00 N ATOM 408 CA ILE A 27 1.703 -9.955 5.011 1.00 0.00 C ATOM 409 C ILE A 27 3.105 -9.357 4.938 1.00 0.00 C ATOM 410 O ILE A 27 4.101 -10.070 5.056 1.00 0.00 O ATOM 411 CB ILE A 27 1.060 -9.902 3.612 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.407 -10.328 3.686 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.828 -10.789 2.642 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.156 -10.147 2.383 1.00 0.00 C ATOM 0 H ILE A 27 0.187 -8.632 5.600 1.00 0.00 H new ATOM 0 HA ILE A 27 1.772 -10.994 5.332 1.00 0.00 H new ATOM 0 HB ILE A 27 1.103 -8.876 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.458 -11.376 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.905 -9.751 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.362 -10.741 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.860 -10.444 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.813 -11.818 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.190 -10.469 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.136 -9.096 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.682 -10.745 1.605 1.00 0.00 H new ATOM 426 N LEU A 28 3.174 -8.044 4.744 1.00 0.00 N ATOM 427 CA LEU A 28 4.455 -7.350 4.655 1.00 0.00 C ATOM 428 C LEU A 28 5.279 -7.562 5.921 1.00 0.00 C ATOM 429 O LEU A 28 6.462 -7.902 5.857 1.00 0.00 O ATOM 430 CB LEU A 28 4.231 -5.855 4.423 1.00 0.00 C ATOM 431 CG LEU A 28 3.467 -5.505 3.145 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.910 -4.092 3.226 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.368 -5.655 1.929 1.00 0.00 C ATOM 0 H LEU A 28 2.359 -7.439 4.645 1.00 0.00 H new ATOM 0 HA LEU A 28 5.007 -7.764 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.688 -5.448 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.201 -5.358 4.396 1.00 0.00 H new ATOM 0 HG LEU A 28 2.632 -6.198 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.370 -3.861 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.231 -4.017 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.730 -3.385 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.809 -5.402 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.223 -4.986 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.719 -6.685 1.861 1.00 0.00 H new ATOM 445 N ASP A 29 4.644 -7.362 7.072 1.00 0.00 N ATOM 446 CA ASP A 29 5.314 -7.535 8.356 1.00 0.00 C ATOM 447 C ASP A 29 5.820 -8.964 8.508 1.00 0.00 C ATOM 448 O ASP A 29 6.999 -9.191 8.779 1.00 0.00 O ATOM 449 CB ASP A 29 4.363 -7.191 9.504 1.00 0.00 C ATOM 450 CG ASP A 29 5.073 -7.119 10.841 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.467 -8.183 11.363 1.00 0.00 O ATOM 452 OD2 ASP A 29 5.236 -5.998 11.367 1.00 0.00 O ATOM 0 H ASP A 29 3.666 -7.080 7.141 1.00 0.00 H new ATOM 0 HA ASP A 29 6.167 -6.858 8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.882 -6.235 9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.573 -7.941 9.555 1.00 0.00 H new ATOM 457 N GLY A 30 4.921 -9.927 8.323 1.00 0.00 N ATOM 458 CA GLY A 30 5.299 -11.323 8.435 1.00 0.00 C ATOM 459 C GLY A 30 6.403 -11.692 7.466 1.00 0.00 C ATOM 460 O GLY A 30 7.216 -12.574 7.743 1.00 0.00 O ATOM 0 H GLY A 30 3.939 -9.765 8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.627 -11.529 9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.428 -11.951 8.248 1.00 0.00 H new ATOM 464 N LYS A 31 6.434 -11.008 6.327 1.00 0.00 N ATOM 465 CA LYS A 31 7.449 -11.256 5.310 1.00 0.00 C ATOM 466 C LYS A 31 8.807 -10.710 5.747 1.00 0.00 C ATOM 467 O LYS A 31 9.830 -11.001 5.126 1.00 0.00 O ATOM 468 CB LYS A 31 7.036 -10.620 3.982 1.00 0.00 C ATOM 469 CG LYS A 31 6.196 -11.533 3.105 1.00 0.00 C ATOM 470 CD LYS A 31 5.201 -10.743 2.270 1.00 0.00 C ATOM 471 CE LYS A 31 4.823 -11.488 1.000 1.00 0.00 C ATOM 472 NZ LYS A 31 5.910 -11.442 -0.016 1.00 0.00 N ATOM 0 H LYS A 31 5.766 -10.276 6.085 1.00 0.00 H new ATOM 0 HA LYS A 31 7.537 -12.334 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.475 -9.708 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.932 -10.328 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.848 -12.109 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.661 -12.248 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.305 -10.548 2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.630 -9.775 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.596 -12.526 1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.916 -11.053 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.494 -11.359 -0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.522 -10.621 0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.474 -12.314 0.040 1.00 0.00 H new ATOM 486 N ARG A 32 8.813 -9.915 6.816 1.00 0.00 N ATOM 487 CA ARG A 32 10.046 -9.330 7.328 1.00 0.00 C ATOM 488 C ARG A 32 10.625 -8.335 6.327 1.00 0.00 C ATOM 489 O ARG A 32 11.828 -8.324 6.070 1.00 0.00 O ATOM 490 CB ARG A 32 11.073 -10.424 7.632 1.00 0.00 C ATOM 491 CG ARG A 32 10.488 -11.619 8.370 1.00 0.00 C ATOM 492 CD ARG A 32 10.397 -12.846 7.475 1.00 0.00 C ATOM 493 NE ARG A 32 11.118 -13.986 8.036 1.00 0.00 N ATOM 494 CZ ARG A 32 11.268 -15.150 7.408 1.00 0.00 C ATOM 495 NH1 ARG A 32 10.751 -15.332 6.199 1.00 0.00 N ATOM 496 NH2 ARG A 32 11.939 -16.135 7.990 1.00 0.00 N ATOM 0 H ARG A 32 7.977 -9.663 7.343 1.00 0.00 H new ATOM 0 HA ARG A 32 9.813 -8.800 8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.515 -10.766 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.880 -9.998 8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.105 -11.848 9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.495 -11.366 8.742 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.350 -13.114 7.332 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.803 -12.609 6.492 1.00 0.00 H new ATOM 0 HE ARG A 32 11.531 -13.884 8.963 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.235 -14.578 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.869 -16.226 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.340 -16.000 8.918 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.054 -17.027 7.509 1.00 0.00 H new ATOM 510 N ILE A 33 9.756 -7.501 5.766 1.00 0.00 N ATOM 511 CA ILE A 33 10.175 -6.504 4.795 1.00 0.00 C ATOM 512 C ILE A 33 10.674 -5.242 5.484 1.00 0.00 C ATOM 513 O ILE A 33 10.348 -4.978 6.641 1.00 0.00 O ATOM 514 CB ILE A 33 9.026 -6.137 3.837 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.403 -7.406 3.252 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.528 -5.225 2.727 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.293 -7.133 2.262 1.00 0.00 C ATOM 0 H ILE A 33 8.756 -7.498 5.969 1.00 0.00 H new ATOM 0 HA ILE A 33 10.990 -6.944 4.220 1.00 0.00 H new ATOM 0 HB ILE A 33 8.261 -5.601 4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.181 -7.990 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.011 -8.017 4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.703 -4.976 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.932 -4.311 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.310 -5.734 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.898 -8.078 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.496 -6.576 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.684 -6.548 1.429 1.00 0.00 H new ATOM 529 N GLN A 34 11.466 -4.469 4.758 1.00 0.00 N ATOM 530 CA GLN A 34 12.022 -3.227 5.282 1.00 0.00 C ATOM 531 C GLN A 34 11.454 -2.024 4.536 1.00 0.00 C ATOM 532 O GLN A 34 12.197 -1.170 4.053 1.00 0.00 O ATOM 533 CB GLN A 34 13.549 -3.240 5.172 1.00 0.00 C ATOM 534 CG GLN A 34 14.187 -4.512 5.706 1.00 0.00 C ATOM 535 CD GLN A 34 14.735 -4.344 7.109 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.933 -4.501 7.344 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.857 -4.022 8.053 1.00 0.00 N ATOM 0 H GLN A 34 11.741 -4.680 3.799 1.00 0.00 H new ATOM 0 HA GLN A 34 11.744 -3.145 6.333 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.831 -3.113 4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.951 -2.386 5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.449 -5.314 5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.993 -4.817 5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.873 -3.901 7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.167 -3.895 9.016 1.00 0.00 H new ATOM 546 N TYR A 35 10.130 -1.968 4.444 1.00 0.00 N ATOM 547 CA TYR A 35 9.457 -0.874 3.753 1.00 0.00 C ATOM 548 C TYR A 35 8.952 0.173 4.743 1.00 0.00 C ATOM 549 O TYR A 35 8.758 -0.115 5.924 1.00 0.00 O ATOM 550 CB TYR A 35 8.291 -1.415 2.917 1.00 0.00 C ATOM 551 CG TYR A 35 7.056 -1.748 3.727 1.00 0.00 C ATOM 552 CD1 TYR A 35 7.012 -2.877 4.536 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.935 -0.928 3.686 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.888 -3.179 5.280 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.806 -1.224 4.427 1.00 0.00 C ATOM 556 CZ TYR A 35 4.788 -2.350 5.221 1.00 0.00 C ATOM 557 OH TYR A 35 3.667 -2.647 5.961 1.00 0.00 O ATOM 0 H TYR A 35 9.501 -2.667 4.839 1.00 0.00 H new ATOM 0 HA TYR A 35 10.179 -0.396 3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.028 -0.677 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.620 -2.311 2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.871 -3.529 4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.946 -0.045 3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.871 -4.060 5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.943 -0.576 4.384 1.00 0.00 H new ATOM 0 HH TYR A 35 2.983 -1.962 5.807 1.00 0.00 H new ATOM 567 N GLN A 36 8.735 1.388 4.250 1.00 0.00 N ATOM 568 CA GLN A 36 8.244 2.478 5.084 1.00 0.00 C ATOM 569 C GLN A 36 6.724 2.570 5.002 1.00 0.00 C ATOM 570 O GLN A 36 6.085 1.787 4.300 1.00 0.00 O ATOM 571 CB GLN A 36 8.872 3.805 4.652 1.00 0.00 C ATOM 572 CG GLN A 36 8.758 4.074 3.160 1.00 0.00 C ATOM 573 CD GLN A 36 10.076 3.897 2.433 1.00 0.00 C ATOM 574 OE1 GLN A 36 10.601 2.787 2.336 1.00 0.00 O ATOM 575 NE2 GLN A 36 10.619 4.993 1.917 1.00 0.00 N ATOM 0 H GLN A 36 8.892 1.642 3.275 1.00 0.00 H new ATOM 0 HA GLN A 36 8.528 2.274 6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.393 4.619 5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.925 3.808 4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.016 3.401 2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.395 5.090 3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.149 5.892 2.021 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.506 4.936 1.416 1.00 0.00 H new ATOM 584 N LEU A 37 6.146 3.529 5.717 1.00 0.00 N ATOM 585 CA LEU A 37 4.706 3.714 5.713 1.00 0.00 C ATOM 586 C LEU A 37 4.363 5.182 5.537 1.00 0.00 C ATOM 587 O LEU A 37 4.358 5.951 6.498 1.00 0.00 O ATOM 588 CB LEU A 37 4.099 3.184 7.010 1.00 0.00 C ATOM 589 CG LEU A 37 2.584 2.976 6.982 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.201 1.725 7.760 1.00 0.00 C ATOM 591 CD2 LEU A 37 1.869 4.196 7.545 1.00 0.00 C ATOM 0 H LEU A 37 6.655 4.188 6.305 1.00 0.00 H new ATOM 0 HA LEU A 37 4.288 3.154 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.576 2.235 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.340 3.878 7.815 1.00 0.00 H new ATOM 0 HG LEU A 37 2.274 2.843 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.119 1.594 7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.685 0.856 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.524 1.828 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.792 4.031 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.185 4.360 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.117 5.072 6.946 1.00 0.00 H new ATOM 603 N VAL A 38 4.079 5.565 4.303 1.00 0.00 N ATOM 604 CA VAL A 38 3.737 6.946 4.005 1.00 0.00 C ATOM 605 C VAL A 38 2.288 7.224 4.370 1.00 0.00 C ATOM 606 O VAL A 38 1.406 7.242 3.513 1.00 0.00 O ATOM 607 CB VAL A 38 3.962 7.285 2.517 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.441 7.503 2.238 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.397 6.192 1.621 1.00 0.00 C ATOM 0 H VAL A 38 4.078 4.943 3.495 1.00 0.00 H new ATOM 0 HA VAL A 38 4.396 7.576 4.603 1.00 0.00 H new ATOM 0 HB VAL A 38 3.431 8.210 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.581 7.741 1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.809 8.328 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.995 6.596 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.568 6.453 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.892 5.247 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.326 6.092 1.800 1.00 0.00 H new ATOM 619 N ASP A 39 2.053 7.437 5.657 1.00 0.00 N ATOM 620 CA ASP A 39 0.710 7.710 6.154 1.00 0.00 C ATOM 621 C ASP A 39 0.320 9.163 5.900 1.00 0.00 C ATOM 622 O ASP A 39 1.052 10.086 6.256 1.00 0.00 O ATOM 623 CB ASP A 39 0.626 7.404 7.651 1.00 0.00 C ATOM 624 CG ASP A 39 -0.770 6.998 8.081 1.00 0.00 C ATOM 625 OD1 ASP A 39 -1.629 7.892 8.230 1.00 0.00 O ATOM 626 OD2 ASP A 39 -1.005 5.785 8.268 1.00 0.00 O ATOM 0 H ASP A 39 2.775 7.426 6.377 1.00 0.00 H new ATOM 0 HA ASP A 39 0.014 7.066 5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.325 6.604 7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.936 8.283 8.217 1.00 0.00 H new ATOM 631 N ILE A 40 -0.837 9.352 5.274 1.00 0.00 N ATOM 632 CA ILE A 40 -1.332 10.687 4.959 1.00 0.00 C ATOM 633 C ILE A 40 -2.119 11.286 6.122 1.00 0.00 C ATOM 634 O ILE A 40 -2.349 12.494 6.168 1.00 0.00 O ATOM 635 CB ILE A 40 -2.224 10.671 3.701 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.443 9.770 3.919 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.426 10.205 2.491 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.371 9.710 2.725 1.00 0.00 C ATOM 0 H ILE A 40 -1.451 8.595 4.974 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.455 11.307 4.771 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.576 11.686 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.102 8.762 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.000 10.129 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.069 10.199 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.589 10.883 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.047 9.199 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.212 9.054 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.741 10.711 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.829 9.322 1.862 1.00 0.00 H new ATOM 650 N SER A 41 -2.530 10.438 7.062 1.00 0.00 N ATOM 651 CA SER A 41 -3.290 10.895 8.220 1.00 0.00 C ATOM 652 C SER A 41 -2.495 11.918 9.025 1.00 0.00 C ATOM 653 O SER A 41 -3.069 12.779 9.692 1.00 0.00 O ATOM 654 CB SER A 41 -3.665 9.710 9.112 1.00 0.00 C ATOM 655 OG SER A 41 -4.860 9.967 9.827 1.00 0.00 O ATOM 0 H SER A 41 -2.350 9.434 7.044 1.00 0.00 H new ATOM 0 HA SER A 41 -4.201 11.372 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.789 8.816 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.855 9.508 9.813 1.00 0.00 H new ATOM 0 HG SER A 41 -4.803 10.847 10.255 1.00 0.00 H new ATOM 661 N GLN A 42 -1.171 11.819 8.956 1.00 0.00 N ATOM 662 CA GLN A 42 -0.296 12.736 9.677 1.00 0.00 C ATOM 663 C GLN A 42 -0.545 14.176 9.243 1.00 0.00 C ATOM 664 O GLN A 42 -1.043 14.993 10.018 1.00 0.00 O ATOM 665 CB GLN A 42 1.168 12.366 9.439 1.00 0.00 C ATOM 666 CG GLN A 42 2.145 13.181 10.271 1.00 0.00 C ATOM 667 CD GLN A 42 2.825 14.274 9.469 1.00 0.00 C ATOM 668 OE1 GLN A 42 3.078 14.117 8.275 1.00 0.00 O ATOM 669 NE2 GLN A 42 3.124 15.390 10.124 1.00 0.00 N ATOM 0 H GLN A 42 -0.681 11.112 8.408 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.517 12.652 10.741 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.308 11.308 9.663 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.401 12.502 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.615 13.629 11.112 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.902 12.517 10.689 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.896 15.477 11.114 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.582 16.160 9.637 1.00 0.00 H new ATOM 678 N ASP A 43 -0.193 14.479 7.999 1.00 0.00 N ATOM 679 CA ASP A 43 -0.377 15.820 7.457 1.00 0.00 C ATOM 680 C ASP A 43 -1.421 15.818 6.345 1.00 0.00 C ATOM 681 O ASP A 43 -1.380 14.981 5.443 1.00 0.00 O ATOM 682 CB ASP A 43 0.952 16.365 6.928 1.00 0.00 C ATOM 683 CG ASP A 43 1.593 17.351 7.883 1.00 0.00 C ATOM 684 OD1 ASP A 43 0.856 18.157 8.489 1.00 0.00 O ATOM 685 OD2 ASP A 43 2.834 17.319 8.026 1.00 0.00 O ATOM 0 H ASP A 43 0.222 13.814 7.346 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.731 16.466 8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.637 15.536 6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.786 16.851 5.966 1.00 0.00 H new ATOM 690 N ASN A 44 -2.355 16.760 6.416 1.00 0.00 N ATOM 691 CA ASN A 44 -3.411 16.869 5.415 1.00 0.00 C ATOM 692 C ASN A 44 -2.826 17.025 4.014 1.00 0.00 C ATOM 693 O ASN A 44 -3.467 16.680 3.022 1.00 0.00 O ATOM 694 CB ASN A 44 -4.325 18.054 5.732 1.00 0.00 C ATOM 695 CG ASN A 44 -3.547 19.311 6.065 1.00 0.00 C ATOM 696 OD1 ASN A 44 -3.182 20.083 5.179 1.00 0.00 O ATOM 697 ND2 ASN A 44 -3.288 19.522 7.350 1.00 0.00 N ATOM 0 H ASN A 44 -2.403 17.460 7.157 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.995 15.949 5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.974 18.247 4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.971 17.797 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.767 20.351 7.636 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.610 18.855 8.051 1.00 0.00 H new ATOM 704 N ALA A 45 -1.605 17.547 3.941 1.00 0.00 N ATOM 705 CA ALA A 45 -0.937 17.747 2.661 1.00 0.00 C ATOM 706 C ALA A 45 -0.750 16.426 1.926 1.00 0.00 C ATOM 707 O ALA A 45 -0.937 16.346 0.713 1.00 0.00 O ATOM 708 CB ALA A 45 0.404 18.434 2.867 1.00 0.00 C ATOM 0 H ALA A 45 -1.060 17.838 4.752 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.570 18.387 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.892 18.577 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.247 19.403 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.036 17.815 3.505 1.00 0.00 H new ATOM 714 N LEU A 46 -0.381 15.391 2.671 1.00 0.00 N ATOM 715 CA LEU A 46 -0.169 14.070 2.092 1.00 0.00 C ATOM 716 C LEU A 46 -1.466 13.524 1.504 1.00 0.00 C ATOM 717 O LEU A 46 -1.451 12.786 0.519 1.00 0.00 O ATOM 718 CB LEU A 46 0.371 13.105 3.149 1.00 0.00 C ATOM 719 CG LEU A 46 1.847 13.299 3.510 1.00 0.00 C ATOM 720 CD1 LEU A 46 1.983 13.998 4.853 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.573 11.962 3.528 1.00 0.00 C ATOM 0 H LEU A 46 -0.222 15.441 3.677 1.00 0.00 H new ATOM 0 HA LEU A 46 0.564 14.164 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.226 13.211 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.231 12.084 2.793 1.00 0.00 H new ATOM 0 HG LEU A 46 2.306 13.929 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.039 14.126 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.500 14.974 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.507 13.395 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.620 12.120 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.112 11.307 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.508 11.499 2.543 1.00 0.00 H new ATOM 733 N ARG A 47 -2.587 13.894 2.115 1.00 0.00 N ATOM 734 CA ARG A 47 -3.894 13.443 1.653 1.00 0.00 C ATOM 735 C ARG A 47 -4.186 13.965 0.250 1.00 0.00 C ATOM 736 O ARG A 47 -4.516 13.196 -0.653 1.00 0.00 O ATOM 737 CB ARG A 47 -4.986 13.905 2.620 1.00 0.00 C ATOM 738 CG ARG A 47 -6.353 13.312 2.323 1.00 0.00 C ATOM 739 CD ARG A 47 -7.467 14.303 2.619 1.00 0.00 C ATOM 740 NE ARG A 47 -8.788 13.687 2.522 1.00 0.00 N ATOM 741 CZ ARG A 47 -9.320 12.921 3.471 1.00 0.00 C ATOM 742 NH1 ARG A 47 -8.648 12.673 4.588 1.00 0.00 N ATOM 743 NH2 ARG A 47 -10.529 12.401 3.302 1.00 0.00 N ATOM 0 H ARG A 47 -2.616 14.505 2.931 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.884 12.354 1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.696 13.638 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.055 14.992 2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.401 13.012 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.498 12.412 2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.331 14.713 3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.404 15.138 1.921 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.335 13.854 1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.718 13.070 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.061 12.085 5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.050 12.589 2.445 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.938 11.814 4.029 1.00 0.00 H new ATOM 757 N ASP A 48 -4.064 15.278 0.073 1.00 0.00 N ATOM 758 CA ASP A 48 -4.317 15.899 -1.223 1.00 0.00 C ATOM 759 C ASP A 48 -3.093 15.835 -2.125 1.00 0.00 C ATOM 760 O ASP A 48 -3.117 16.300 -3.265 1.00 0.00 O ATOM 761 CB ASP A 48 -4.765 17.348 -1.043 1.00 0.00 C ATOM 762 CG ASP A 48 -6.195 17.574 -1.492 1.00 0.00 C ATOM 763 OD1 ASP A 48 -7.084 16.817 -1.047 1.00 0.00 O ATOM 764 OD2 ASP A 48 -6.427 18.507 -2.289 1.00 0.00 O ATOM 0 H ASP A 48 -3.792 15.930 0.809 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.116 15.337 -1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.669 17.627 0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.102 18.003 -1.609 1.00 0.00 H new ATOM 769 N GLU A 49 -2.036 15.241 -1.610 1.00 0.00 N ATOM 770 CA GLU A 49 -0.797 15.085 -2.359 1.00 0.00 C ATOM 771 C GLU A 49 -0.716 13.675 -2.922 1.00 0.00 C ATOM 772 O GLU A 49 -0.235 13.457 -4.035 1.00 0.00 O ATOM 773 CB GLU A 49 0.412 15.367 -1.464 1.00 0.00 C ATOM 774 CG GLU A 49 1.747 15.188 -2.168 1.00 0.00 C ATOM 775 CD GLU A 49 2.389 16.508 -2.547 1.00 0.00 C ATOM 776 OE1 GLU A 49 1.753 17.287 -3.288 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.528 16.764 -2.102 1.00 0.00 O ATOM 0 H GLU A 49 -2.007 14.854 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.788 15.802 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.344 16.387 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.375 14.705 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.424 14.632 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.602 14.588 -3.066 1.00 0.00 H new ATOM 784 N MET A 50 -1.215 12.722 -2.142 1.00 0.00 N ATOM 785 CA MET A 50 -1.228 11.327 -2.551 1.00 0.00 C ATOM 786 C MET A 50 -2.307 11.107 -3.600 1.00 0.00 C ATOM 787 O MET A 50 -2.141 10.313 -4.526 1.00 0.00 O ATOM 788 CB MET A 50 -1.476 10.425 -1.341 1.00 0.00 C ATOM 789 CG MET A 50 -1.534 8.947 -1.687 1.00 0.00 C ATOM 790 SD MET A 50 -3.219 8.356 -1.935 1.00 0.00 S ATOM 791 CE MET A 50 -3.879 8.505 -0.277 1.00 0.00 C ATOM 0 H MET A 50 -1.617 12.894 -1.220 1.00 0.00 H new ATOM 0 HA MET A 50 -0.259 11.074 -2.981 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.685 10.588 -0.609 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.414 10.716 -0.867 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.953 8.767 -2.592 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.066 8.372 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.738 7.843 -0.166 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.112 8.229 0.446 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.190 9.535 -0.100 1.00 0.00 H new ATOM 801 N ARG A 51 -3.413 11.828 -3.449 1.00 0.00 N ATOM 802 CA ARG A 51 -4.526 11.731 -4.381 1.00 0.00 C ATOM 803 C ARG A 51 -4.151 12.345 -5.725 1.00 0.00 C ATOM 804 O ARG A 51 -4.430 11.776 -6.779 1.00 0.00 O ATOM 805 CB ARG A 51 -5.755 12.436 -3.810 1.00 0.00 C ATOM 806 CG ARG A 51 -6.467 11.636 -2.731 1.00 0.00 C ATOM 807 CD ARG A 51 -7.976 11.693 -2.901 1.00 0.00 C ATOM 808 NE ARG A 51 -8.598 10.383 -2.728 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.846 9.830 -1.543 1.00 0.00 C ATOM 810 NH1 ARG A 51 -8.526 10.469 -0.424 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.417 8.635 -1.476 1.00 0.00 N ATOM 0 H ARG A 51 -3.561 12.488 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.760 10.677 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.453 13.399 -3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.455 12.642 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.135 10.599 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.195 12.024 -1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.396 12.392 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.214 12.079 -3.892 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.858 9.861 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.088 11.389 -0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.719 10.040 0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.666 8.140 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.607 8.211 -0.568 1.00 0.00 H new ATOM 825 N ALA A 52 -3.508 13.510 -5.677 1.00 0.00 N ATOM 826 CA ALA A 52 -3.085 14.200 -6.890 1.00 0.00 C ATOM 827 C ALA A 52 -2.209 13.292 -7.744 1.00 0.00 C ATOM 828 O ALA A 52 -2.424 13.159 -8.949 1.00 0.00 O ATOM 829 CB ALA A 52 -2.341 15.479 -6.538 1.00 0.00 C ATOM 0 H ALA A 52 -3.270 13.994 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.972 14.462 -7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.031 15.983 -7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.997 16.136 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.461 15.236 -5.942 1.00 0.00 H new ATOM 835 N LEU A 53 -1.230 12.659 -7.107 1.00 0.00 N ATOM 836 CA LEU A 53 -0.330 11.750 -7.805 1.00 0.00 C ATOM 837 C LEU A 53 -1.019 10.414 -8.073 1.00 0.00 C ATOM 838 O LEU A 53 -0.622 9.668 -8.969 1.00 0.00 O ATOM 839 CB LEU A 53 0.941 11.525 -6.983 1.00 0.00 C ATOM 840 CG LEU A 53 1.757 12.786 -6.694 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.659 12.573 -5.488 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.579 13.179 -7.913 1.00 0.00 C ATOM 0 H LEU A 53 -1.040 12.759 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.060 12.202 -8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.665 11.064 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.576 10.813 -7.511 1.00 0.00 H new ATOM 0 HG LEU A 53 1.067 13.599 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.232 13.480 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.050 12.338 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.342 11.747 -5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.153 14.078 -7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.260 12.368 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.913 13.373 -8.754 1.00 0.00 H new ATOM 854 N ALA A 54 -2.053 10.120 -7.289 1.00 0.00 N ATOM 855 CA ALA A 54 -2.802 8.878 -7.436 1.00 0.00 C ATOM 856 C ALA A 54 -3.632 8.876 -8.716 1.00 0.00 C ATOM 857 O ALA A 54 -3.937 7.818 -9.266 1.00 0.00 O ATOM 858 CB ALA A 54 -3.700 8.662 -6.227 1.00 0.00 C ATOM 0 H ALA A 54 -2.391 10.728 -6.543 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.085 8.059 -7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.255 7.732 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.090 8.606 -5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.400 9.493 -6.141 1.00 0.00 H new ATOM 864 N GLY A 55 -4.002 10.065 -9.183 1.00 0.00 N ATOM 865 CA GLY A 55 -4.800 10.168 -10.390 1.00 0.00 C ATOM 866 C GLY A 55 -6.169 9.539 -10.223 1.00 0.00 C ATOM 867 O GLY A 55 -6.632 8.799 -11.090 1.00 0.00 O ATOM 0 H GLY A 55 -3.764 10.956 -8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.914 11.218 -10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.276 9.682 -11.213 1.00 0.00 H new ATOM 871 N ASN A 56 -6.815 9.835 -9.098 1.00 0.00 N ATOM 872 CA ASN A 56 -8.137 9.301 -8.798 1.00 0.00 C ATOM 873 C ASN A 56 -8.513 9.625 -7.372 1.00 0.00 C ATOM 874 O ASN A 56 -7.855 9.195 -6.424 1.00 0.00 O ATOM 875 CB ASN A 56 -8.199 7.787 -9.028 1.00 0.00 C ATOM 876 CG ASN A 56 -6.896 7.085 -8.696 1.00 0.00 C ATOM 877 OD1 ASN A 56 -6.239 6.523 -9.573 1.00 0.00 O ATOM 878 ND2 ASN A 56 -6.517 7.113 -7.425 1.00 0.00 N ATOM 0 H ASN A 56 -6.439 10.448 -8.374 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.849 9.770 -9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.999 7.365 -8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.455 7.593 -10.070 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.650 6.657 -7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.093 7.591 -6.732 1.00 0.00 H new ATOM 885 N PRO A 57 -9.580 10.409 -7.204 1.00 0.00 N ATOM 886 CA PRO A 57 -10.057 10.823 -5.902 1.00 0.00 C ATOM 887 C PRO A 57 -10.991 9.800 -5.263 1.00 0.00 C ATOM 888 O PRO A 57 -11.826 10.142 -4.426 1.00 0.00 O ATOM 889 CB PRO A 57 -10.798 12.129 -6.206 1.00 0.00 C ATOM 890 CG PRO A 57 -10.790 12.302 -7.692 1.00 0.00 C ATOM 891 CD PRO A 57 -10.407 10.980 -8.270 1.00 0.00 C ATOM 0 HA PRO A 57 -9.246 10.933 -5.183 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.820 12.089 -5.828 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -10.310 12.972 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.771 12.613 -8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.081 13.075 -7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.278 10.361 -8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.853 11.088 -9.203 1.00 0.00 H new ATOM 899 N LYS A 58 -10.833 8.542 -5.657 1.00 0.00 N ATOM 900 CA LYS A 58 -11.646 7.458 -5.120 1.00 0.00 C ATOM 901 C LYS A 58 -10.769 6.416 -4.426 1.00 0.00 C ATOM 902 O LYS A 58 -11.276 5.498 -3.781 1.00 0.00 O ATOM 903 CB LYS A 58 -12.457 6.798 -6.237 1.00 0.00 C ATOM 904 CG LYS A 58 -13.635 7.635 -6.710 1.00 0.00 C ATOM 905 CD LYS A 58 -13.324 8.346 -8.017 1.00 0.00 C ATOM 906 CE LYS A 58 -14.295 9.488 -8.274 1.00 0.00 C ATOM 907 NZ LYS A 58 -13.980 10.682 -7.442 1.00 0.00 N ATOM 0 H LYS A 58 -10.145 8.247 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.332 7.879 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.800 6.600 -7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.825 5.834 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.508 6.995 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.890 8.370 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.305 8.732 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.372 7.634 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.263 9.762 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.311 9.155 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.846 11.018 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.274 10.427 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.599 11.437 -8.048 1.00 0.00 H new ATOM 921 N ALA A 59 -9.451 6.563 -4.563 1.00 0.00 N ATOM 922 CA ALA A 59 -8.506 5.636 -3.950 1.00 0.00 C ATOM 923 C ALA A 59 -8.719 5.539 -2.442 1.00 0.00 C ATOM 924 O ALA A 59 -9.737 5.992 -1.917 1.00 0.00 O ATOM 925 CB ALA A 59 -7.078 6.064 -4.257 1.00 0.00 C ATOM 0 H ALA A 59 -9.015 7.317 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.681 4.647 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.381 5.365 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.924 6.070 -5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.905 7.065 -3.861 1.00 0.00 H new ATOM 931 N THR A 60 -7.751 4.946 -1.751 1.00 0.00 N ATOM 932 CA THR A 60 -7.826 4.784 -0.305 1.00 0.00 C ATOM 933 C THR A 60 -6.423 4.722 0.299 1.00 0.00 C ATOM 934 O THR A 60 -5.438 4.582 -0.424 1.00 0.00 O ATOM 935 CB THR A 60 -8.611 3.518 0.042 1.00 0.00 C ATOM 936 OG1 THR A 60 -8.335 2.486 -0.888 1.00 0.00 O ATOM 937 CG2 THR A 60 -10.110 3.730 0.059 1.00 0.00 C ATOM 0 H THR A 60 -6.902 4.568 -2.172 1.00 0.00 H new ATOM 0 HA THR A 60 -8.345 5.645 0.116 1.00 0.00 H new ATOM 0 HB THR A 60 -8.287 3.243 1.046 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.845 1.684 -0.648 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.607 2.793 0.312 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.362 4.487 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.442 4.063 -0.925 1.00 0.00 H new ATOM 945 N PRO A 61 -6.310 4.833 1.634 1.00 0.00 N ATOM 946 CA PRO A 61 -5.016 4.796 2.322 1.00 0.00 C ATOM 947 C PRO A 61 -4.091 3.686 1.815 1.00 0.00 C ATOM 948 O PRO A 61 -2.898 3.914 1.617 1.00 0.00 O ATOM 949 CB PRO A 61 -5.404 4.554 3.779 1.00 0.00 C ATOM 950 CG PRO A 61 -6.750 5.180 3.914 1.00 0.00 C ATOM 951 CD PRO A 61 -7.431 5.013 2.580 1.00 0.00 C ATOM 0 HA PRO A 61 -4.448 5.712 2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.436 3.489 4.010 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.685 5.007 4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.324 4.700 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.664 6.234 4.177 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.100 4.152 2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.033 5.885 2.326 1.00 0.00 H new ATOM 959 N PRO A 62 -4.619 2.466 1.597 1.00 0.00 N ATOM 960 CA PRO A 62 -3.815 1.336 1.115 1.00 0.00 C ATOM 961 C PRO A 62 -3.283 1.562 -0.297 1.00 0.00 C ATOM 962 O PRO A 62 -3.854 1.073 -1.272 1.00 0.00 O ATOM 963 CB PRO A 62 -4.791 0.150 1.136 1.00 0.00 C ATOM 964 CG PRO A 62 -5.934 0.596 1.982 1.00 0.00 C ATOM 965 CD PRO A 62 -6.023 2.082 1.800 1.00 0.00 C ATOM 0 HA PRO A 62 -2.931 1.182 1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.123 -0.104 0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.319 -0.741 1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.860 0.109 1.676 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.769 0.340 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.644 2.349 0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.455 2.572 2.673 1.00 0.00 H new ATOM 973 N GLN A 63 -2.184 2.302 -0.400 1.00 0.00 N ATOM 974 CA GLN A 63 -1.573 2.589 -1.695 1.00 0.00 C ATOM 975 C GLN A 63 -0.058 2.429 -1.624 1.00 0.00 C ATOM 976 O GLN A 63 0.620 3.164 -0.909 1.00 0.00 O ATOM 977 CB GLN A 63 -1.928 4.005 -2.153 1.00 0.00 C ATOM 978 CG GLN A 63 -3.424 4.259 -2.247 1.00 0.00 C ATOM 979 CD GLN A 63 -3.934 4.221 -3.674 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.437 4.938 -4.542 1.00 0.00 O ATOM 981 NE2 GLN A 63 -4.932 3.382 -3.923 1.00 0.00 N ATOM 0 H GLN A 63 -1.698 2.714 0.396 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.965 1.876 -2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.489 4.722 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.476 4.186 -3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.953 3.512 -1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.652 5.231 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.313 2.806 -3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.317 3.313 -4.865 1.00 0.00 H new ATOM 990 N ILE A 64 0.466 1.460 -2.367 1.00 0.00 N ATOM 991 CA ILE A 64 1.901 1.202 -2.383 1.00 0.00 C ATOM 992 C ILE A 64 2.583 1.935 -3.533 1.00 0.00 C ATOM 993 O ILE A 64 2.043 2.024 -4.635 1.00 0.00 O ATOM 994 CB ILE A 64 2.200 -0.304 -2.500 1.00 0.00 C ATOM 995 CG1 ILE A 64 1.368 -1.093 -1.488 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.684 -0.567 -2.294 1.00 0.00 C ATOM 997 CD1 ILE A 64 0.013 -1.511 -2.015 1.00 0.00 C ATOM 0 H ILE A 64 -0.081 0.841 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 64 2.297 1.572 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 64 1.928 -0.636 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.923 -1.982 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.230 -0.487 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.879 -1.636 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.257 -0.032 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.981 -0.222 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.522 -2.066 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.560 -0.625 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.143 -2.143 -2.893 1.00 0.00 H new ATOM 1009 N VAL A 65 3.777 2.454 -3.267 1.00 0.00 N ATOM 1010 CA VAL A 65 4.542 3.177 -4.275 1.00 0.00 C ATOM 1011 C VAL A 65 5.886 2.502 -4.522 1.00 0.00 C ATOM 1012 O VAL A 65 6.567 2.089 -3.583 1.00 0.00 O ATOM 1013 CB VAL A 65 4.778 4.642 -3.856 1.00 0.00 C ATOM 1014 CG1 VAL A 65 5.510 5.409 -4.948 1.00 0.00 C ATOM 1015 CG2 VAL A 65 3.458 5.317 -3.518 1.00 0.00 C ATOM 0 H VAL A 65 4.236 2.387 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 65 3.957 3.164 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 65 5.406 4.645 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.664 6.439 -4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.475 4.940 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.915 5.398 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.642 6.350 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.806 5.299 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.978 4.786 -2.696 1.00 0.00 H new ATOM 1025 N ASN A 66 6.262 2.392 -5.791 1.00 0.00 N ATOM 1026 CA ASN A 66 7.525 1.766 -6.162 1.00 0.00 C ATOM 1027 C ASN A 66 8.597 2.819 -6.424 1.00 0.00 C ATOM 1028 O ASN A 66 8.943 3.097 -7.572 1.00 0.00 O ATOM 1029 CB ASN A 66 7.339 0.890 -7.402 1.00 0.00 C ATOM 1030 CG ASN A 66 8.247 -0.325 -7.393 1.00 0.00 C ATOM 1031 OD1 ASN A 66 8.989 -0.567 -8.345 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.192 -1.096 -6.313 1.00 0.00 N ATOM 0 H ASN A 66 5.710 2.728 -6.580 1.00 0.00 H new ATOM 0 HA ASN A 66 7.851 1.141 -5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.301 0.564 -7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.538 1.482 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.780 -1.927 -6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.562 -0.857 -5.547 1.00 0.00 H new ATOM 1039 N GLY A 67 9.118 3.401 -5.350 1.00 0.00 N ATOM 1040 CA GLY A 67 10.145 4.417 -5.482 1.00 0.00 C ATOM 1041 C GLY A 67 9.570 5.817 -5.551 1.00 0.00 C ATOM 1042 O GLY A 67 9.673 6.586 -4.595 1.00 0.00 O ATOM 0 H GLY A 67 8.847 3.187 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.829 4.350 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.730 4.223 -6.381 1.00 0.00 H new ATOM 1046 N ASP A 68 8.962 6.149 -6.685 1.00 0.00 N ATOM 1047 CA ASP A 68 8.368 7.466 -6.874 1.00 0.00 C ATOM 1048 C ASP A 68 7.256 7.416 -7.916 1.00 0.00 C ATOM 1049 O ASP A 68 7.041 8.377 -8.654 1.00 0.00 O ATOM 1050 CB ASP A 68 9.437 8.474 -7.301 1.00 0.00 C ATOM 1051 CG ASP A 68 10.232 8.000 -8.502 1.00 0.00 C ATOM 1052 OD1 ASP A 68 9.760 8.196 -9.641 1.00 0.00 O ATOM 1053 OD2 ASP A 68 11.327 7.433 -8.302 1.00 0.00 O ATOM 0 H ASP A 68 8.868 5.524 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 68 7.938 7.783 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.961 9.426 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.116 8.654 -6.468 1.00 0.00 H new ATOM 1058 N GLN A 69 6.551 6.290 -7.969 1.00 0.00 N ATOM 1059 CA GLN A 69 5.461 6.120 -8.921 1.00 0.00 C ATOM 1060 C GLN A 69 4.335 5.294 -8.311 1.00 0.00 C ATOM 1061 O GLN A 69 4.528 4.602 -7.313 1.00 0.00 O ATOM 1062 CB GLN A 69 5.969 5.451 -10.200 1.00 0.00 C ATOM 1063 CG GLN A 69 5.936 6.361 -11.417 1.00 0.00 C ATOM 1064 CD GLN A 69 5.348 5.681 -12.639 1.00 0.00 C ATOM 1065 OE1 GLN A 69 4.152 5.395 -12.689 1.00 0.00 O ATOM 1066 NE2 GLN A 69 6.190 5.418 -13.632 1.00 0.00 N ATOM 0 H GLN A 69 6.715 5.484 -7.365 1.00 0.00 H new ATOM 0 HA GLN A 69 5.071 7.107 -9.170 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.992 5.109 -10.040 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.365 4.566 -10.402 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.351 7.251 -11.185 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.948 6.695 -11.644 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.174 5.673 -13.547 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.853 4.961 -14.479 1.00 0.00 H new ATOM 1075 N TYR A 70 3.160 5.368 -8.920 1.00 0.00 N ATOM 1076 CA TYR A 70 2.004 4.626 -8.435 1.00 0.00 C ATOM 1077 C TYR A 70 2.070 3.171 -8.883 1.00 0.00 C ATOM 1078 O TYR A 70 1.771 2.849 -10.033 1.00 0.00 O ATOM 1079 CB TYR A 70 0.712 5.271 -8.937 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.539 4.674 -8.332 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -0.612 4.395 -6.973 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -1.647 4.390 -9.121 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -1.753 3.849 -6.417 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -2.792 3.845 -8.572 1.00 0.00 C ATOM 1085 CZ TYR A 70 -2.840 3.577 -7.221 1.00 0.00 C ATOM 1086 OH TYR A 70 -3.978 3.033 -6.671 1.00 0.00 O ATOM 0 H TYR A 70 2.982 5.934 -9.750 1.00 0.00 H new ATOM 0 HA TYR A 70 2.013 4.653 -7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.739 6.338 -8.716 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.664 5.172 -10.021 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.237 4.608 -6.341 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.613 4.599 -10.180 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.793 3.636 -5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.645 3.630 -9.199 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.650 2.903 -7.372 1.00 0.00 H new ATOM 1096 N CYS A 71 2.471 2.295 -7.967 1.00 0.00 N ATOM 1097 CA CYS A 71 2.584 0.873 -8.267 1.00 0.00 C ATOM 1098 C CYS A 71 1.219 0.193 -8.221 1.00 0.00 C ATOM 1099 O CYS A 71 0.911 -0.655 -9.058 1.00 0.00 O ATOM 1100 CB CYS A 71 3.536 0.197 -7.278 1.00 0.00 C ATOM 1101 SG CYS A 71 4.198 -1.384 -7.855 1.00 0.00 S ATOM 0 H CYS A 71 2.723 2.546 -7.011 1.00 0.00 H new ATOM 0 HA CYS A 71 2.984 0.772 -9.276 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.366 0.872 -7.070 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.011 0.037 -6.336 1.00 0.00 H new ATOM 0 HG CYS A 71 3.361 -2.336 -7.566 1.00 0.00 H new ATOM 1107 N GLY A 72 0.402 0.569 -7.242 1.00 0.00 N ATOM 1108 CA GLY A 72 -0.919 -0.020 -7.118 1.00 0.00 C ATOM 1109 C GLY A 72 -1.588 0.310 -5.798 1.00 0.00 C ATOM 1110 O GLY A 72 -1.395 1.394 -5.248 1.00 0.00 O ATOM 0 H GLY A 72 0.630 1.268 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.547 0.332 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.840 -1.102 -7.220 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.380 -0.630 -5.292 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.087 -0.440 -4.031 1.00 0.00 C ATOM 1116 C ASP A 73 -3.510 -1.784 -3.439 1.00 0.00 C ATOM 1117 O ASP A 73 -3.014 -2.834 -3.846 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.308 0.460 -4.243 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.359 -0.182 -5.129 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -6.032 -1.125 -4.665 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.508 0.261 -6.288 1.00 0.00 O ATOM 0 H ASP A 73 -2.548 -1.532 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.412 0.044 -3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.750 0.700 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.988 1.402 -4.689 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.426 -1.745 -2.475 1.00 0.00 N ATOM 1127 CA TYR A 74 -4.910 -2.960 -1.827 1.00 0.00 C ATOM 1128 C TYR A 74 -5.462 -3.952 -2.850 1.00 0.00 C ATOM 1129 O TYR A 74 -5.060 -5.115 -2.880 1.00 0.00 O ATOM 1130 CB TYR A 74 -5.990 -2.618 -0.798 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.600 -3.832 -0.130 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -6.004 -4.407 0.986 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -7.769 -4.402 -0.617 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -6.557 -5.517 1.597 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -8.328 -5.512 -0.011 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.718 -6.065 1.095 1.00 0.00 C ATOM 1137 OH TYR A 74 -8.272 -7.170 1.700 1.00 0.00 O ATOM 0 H TYR A 74 -4.848 -0.885 -2.125 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.065 -3.427 -1.320 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.559 -1.972 -0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.780 -2.049 -1.289 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.095 -3.980 1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.249 -3.971 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.082 -5.953 2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.238 -5.944 -0.402 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.878 -6.882 2.415 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.390 -3.487 -3.681 1.00 0.00 N ATOM 1148 CA GLU A 75 -7.007 -4.325 -4.697 1.00 0.00 C ATOM 1149 C GLU A 75 -5.962 -5.083 -5.513 1.00 0.00 C ATOM 1150 O GLU A 75 -5.986 -6.311 -5.577 1.00 0.00 O ATOM 1151 CB GLU A 75 -7.866 -3.461 -5.613 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.189 -4.104 -5.981 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.290 -4.432 -7.458 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -9.219 -3.495 -8.281 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -9.441 -5.627 -7.792 1.00 0.00 O ATOM 0 H GLU A 75 -6.732 -2.526 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.631 -5.066 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.058 -2.506 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.309 -3.246 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.318 -5.018 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.003 -3.434 -5.705 1.00 0.00 H new ATOM 1162 N LEU A 76 -5.050 -4.346 -6.137 1.00 0.00 N ATOM 1163 CA LEU A 76 -4.000 -4.954 -6.949 1.00 0.00 C ATOM 1164 C LEU A 76 -3.188 -5.952 -6.130 1.00 0.00 C ATOM 1165 O LEU A 76 -3.187 -7.151 -6.412 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.077 -3.875 -7.519 1.00 0.00 C ATOM 1167 CG LEU A 76 -3.753 -2.870 -8.455 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.058 -1.575 -7.718 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -2.878 -2.599 -9.670 1.00 0.00 C ATOM 0 H LEU A 76 -5.016 -3.327 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.476 -5.488 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.626 -3.329 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.265 -4.362 -8.059 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.694 -3.300 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.538 -0.873 -8.400 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.724 -1.781 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.130 -1.141 -7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.375 -1.882 -10.324 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.921 -2.191 -9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.710 -3.529 -10.212 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.501 -5.446 -5.110 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.683 -6.285 -4.239 1.00 0.00 C ATOM 1183 C PHE A 77 -2.453 -7.534 -3.805 1.00 0.00 C ATOM 1184 O PHE A 77 -1.988 -8.661 -3.990 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.236 -5.480 -3.013 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.567 -6.304 -1.947 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -1.318 -7.084 -1.082 1.00 0.00 C ATOM 1188 CD2 PHE A 77 0.813 -6.296 -1.809 1.00 0.00 C ATOM 1189 CE1 PHE A 77 -0.706 -7.841 -0.100 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.430 -7.050 -0.829 1.00 0.00 C ATOM 1191 CZ PHE A 77 0.670 -7.823 0.026 1.00 0.00 C ATOM 0 H PHE A 77 -2.495 -4.456 -4.866 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.802 -6.608 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.550 -4.697 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.105 -4.983 -2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.394 -7.101 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.412 -5.693 -2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.302 -8.445 0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.506 -7.035 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.150 -8.413 0.792 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.635 -7.323 -3.233 1.00 0.00 N ATOM 1202 CA VAL A 78 -4.474 -8.425 -2.779 1.00 0.00 C ATOM 1203 C VAL A 78 -4.921 -9.289 -3.954 1.00 0.00 C ATOM 1204 O VAL A 78 -5.116 -10.496 -3.811 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.717 -7.914 -2.025 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -6.532 -9.077 -1.479 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -5.308 -6.971 -0.903 1.00 0.00 C ATOM 0 H VAL A 78 -4.033 -6.397 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.871 -9.025 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.342 -7.363 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.405 -8.693 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.857 -9.712 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.919 -9.660 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.198 -6.619 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.661 -7.498 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.772 -6.119 -1.321 1.00 0.00 H new ATOM 1217 N GLU A 79 -5.078 -8.664 -5.116 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.498 -9.378 -6.317 1.00 0.00 C ATOM 1219 C GLU A 79 -4.325 -10.123 -6.955 1.00 0.00 C ATOM 1220 O GLU A 79 -4.492 -10.810 -7.963 1.00 0.00 O ATOM 1221 CB GLU A 79 -6.111 -8.411 -7.330 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.576 -9.089 -8.609 1.00 0.00 C ATOM 1223 CD GLU A 79 -7.971 -8.662 -9.023 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -8.817 -8.452 -8.128 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -8.217 -8.537 -10.241 1.00 0.00 O ATOM 0 H GLU A 79 -4.921 -7.665 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.251 -10.109 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.958 -7.902 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.377 -7.645 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.876 -8.859 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.557 -10.170 -8.470 1.00 0.00 H new ATOM 1232 N ALA A 80 -3.140 -9.981 -6.370 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.952 -10.644 -6.889 1.00 0.00 C ATOM 1234 C ALA A 80 -1.678 -11.944 -6.139 1.00 0.00 C ATOM 1235 O ALA A 80 -1.488 -12.994 -6.752 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.753 -9.713 -6.801 1.00 0.00 C ATOM 0 H ALA A 80 -2.978 -9.414 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.128 -10.893 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.130 -10.219 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.946 -8.815 -7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.582 -9.437 -5.760 1.00 0.00 H new ATOM 1242 N VAL A 81 -1.667 -11.872 -4.810 1.00 0.00 N ATOM 1243 CA VAL A 81 -1.422 -13.053 -3.984 1.00 0.00 C ATOM 1244 C VAL A 81 -2.395 -14.175 -4.334 1.00 0.00 C ATOM 1245 O VAL A 81 -2.064 -15.356 -4.240 1.00 0.00 O ATOM 1246 CB VAL A 81 -1.558 -12.733 -2.482 1.00 0.00 C ATOM 1247 CG1 VAL A 81 -1.078 -13.907 -1.642 1.00 0.00 C ATOM 1248 CG2 VAL A 81 -0.795 -11.465 -2.127 1.00 0.00 C ATOM 0 H VAL A 81 -1.824 -11.013 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.401 -13.373 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.612 -12.563 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.181 -13.664 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.677 -14.788 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.031 -14.111 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.906 -11.260 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.261 -11.598 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.193 -10.628 -2.701 1.00 0.00 H new ATOM 1258 N GLU A 82 -3.599 -13.786 -4.733 1.00 0.00 N ATOM 1259 CA GLU A 82 -4.644 -14.736 -5.100 1.00 0.00 C ATOM 1260 C GLU A 82 -4.167 -15.717 -6.169 1.00 0.00 C ATOM 1261 O GLU A 82 -4.362 -16.926 -6.046 1.00 0.00 O ATOM 1262 CB GLU A 82 -5.865 -13.979 -5.614 1.00 0.00 C ATOM 1263 CG GLU A 82 -5.519 -12.917 -6.646 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.919 -13.320 -8.052 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -6.011 -14.537 -8.317 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -6.141 -12.418 -8.887 1.00 0.00 O ATOM 0 H GLU A 82 -3.879 -12.808 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.903 -15.309 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.566 -14.689 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.373 -13.507 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.018 -11.984 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.447 -12.724 -6.618 1.00 0.00 H new ATOM 1273 N GLN A 83 -3.546 -15.188 -7.218 1.00 0.00 N ATOM 1274 CA GLN A 83 -3.048 -16.015 -8.311 1.00 0.00 C ATOM 1275 C GLN A 83 -1.549 -16.254 -8.174 1.00 0.00 C ATOM 1276 O GLN A 83 -0.915 -16.812 -9.070 1.00 0.00 O ATOM 1277 CB GLN A 83 -3.349 -15.348 -9.654 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.827 -16.318 -10.722 1.00 0.00 C ATOM 1279 CD GLN A 83 -4.316 -15.615 -11.973 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -3.529 -15.038 -12.723 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -5.623 -15.658 -12.203 1.00 0.00 N ATOM 0 H GLN A 83 -3.375 -14.189 -7.334 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.555 -16.979 -8.267 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.108 -14.580 -9.507 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.450 -14.844 -10.009 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.013 -16.994 -10.984 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.632 -16.931 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.239 -16.148 -11.554 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.011 -15.201 -13.028 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.986 -15.814 -7.053 1.00 0.00 N ATOM 1291 CA ASN A 84 0.438 -15.961 -6.794 1.00 0.00 C ATOM 1292 C ASN A 84 1.230 -14.945 -7.605 1.00 0.00 C ATOM 1293 O ASN A 84 2.423 -15.122 -7.852 1.00 0.00 O ATOM 1294 CB ASN A 84 0.914 -17.382 -7.115 1.00 0.00 C ATOM 1295 CG ASN A 84 -0.050 -18.443 -6.619 1.00 0.00 C ATOM 1296 OD1 ASN A 84 -0.111 -18.733 -5.424 1.00 0.00 O ATOM 1297 ND2 ASN A 84 -0.811 -19.027 -7.537 1.00 0.00 N ATOM 0 H ASN A 84 -1.501 -15.349 -6.305 1.00 0.00 H new ATOM 0 HA ASN A 84 0.609 -15.778 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.040 -17.485 -8.193 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.892 -17.545 -6.663 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -1.479 -19.747 -7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -0.727 -18.756 -8.517 1.00 0.00 H new ATOM 1304 N THR A 85 0.554 -13.875 -8.014 1.00 0.00 N ATOM 1305 CA THR A 85 1.188 -12.824 -8.791 1.00 0.00 C ATOM 1306 C THR A 85 1.861 -11.805 -7.877 1.00 0.00 C ATOM 1307 O THR A 85 2.709 -11.032 -8.320 1.00 0.00 O ATOM 1308 CB THR A 85 0.162 -12.128 -9.690 1.00 0.00 C ATOM 1309 OG1 THR A 85 -1.158 -12.394 -9.247 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.254 -12.550 -11.140 1.00 0.00 C ATOM 0 H THR A 85 -0.434 -13.716 -7.818 1.00 0.00 H new ATOM 0 HA THR A 85 1.952 -13.282 -9.419 1.00 0.00 H new ATOM 0 HB THR A 85 0.393 -11.065 -9.622 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.798 -11.939 -9.834 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.500 -12.020 -11.722 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.245 -12.311 -11.526 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.084 -13.624 -11.218 1.00 0.00 H new ATOM 1318 N LEU A 86 1.468 -11.807 -6.599 1.00 0.00 N ATOM 1319 CA LEU A 86 2.021 -10.885 -5.605 1.00 0.00 C ATOM 1320 C LEU A 86 3.483 -10.535 -5.888 1.00 0.00 C ATOM 1321 O LEU A 86 3.877 -9.373 -5.790 1.00 0.00 O ATOM 1322 CB LEU A 86 1.897 -11.492 -4.208 1.00 0.00 C ATOM 1323 CG LEU A 86 2.090 -10.511 -3.050 1.00 0.00 C ATOM 1324 CD1 LEU A 86 3.562 -10.169 -2.879 1.00 0.00 C ATOM 1325 CD2 LEU A 86 1.269 -9.247 -3.270 1.00 0.00 C ATOM 0 H LEU A 86 0.763 -12.443 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 86 1.446 -9.961 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.912 -11.950 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.631 -12.292 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 86 1.739 -10.990 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.679 -9.470 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.125 -11.078 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.938 -9.713 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.422 -8.564 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.584 -8.765 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.213 -9.507 -3.338 1.00 0.00 H new ATOM 1337 N GLN A 87 4.284 -11.538 -6.241 1.00 0.00 N ATOM 1338 CA GLN A 87 5.695 -11.307 -6.537 1.00 0.00 C ATOM 1339 C GLN A 87 5.846 -10.289 -7.659 1.00 0.00 C ATOM 1340 O GLN A 87 6.537 -9.284 -7.507 1.00 0.00 O ATOM 1341 CB GLN A 87 6.397 -12.609 -6.927 1.00 0.00 C ATOM 1342 CG GLN A 87 7.773 -12.388 -7.539 1.00 0.00 C ATOM 1343 CD GLN A 87 8.588 -13.664 -7.627 1.00 0.00 C ATOM 1344 OE1 GLN A 87 8.037 -14.764 -7.669 1.00 0.00 O ATOM 1345 NE2 GLN A 87 9.908 -13.523 -7.655 1.00 0.00 N ATOM 0 H GLN A 87 3.984 -12.509 -6.328 1.00 0.00 H new ATOM 0 HA GLN A 87 6.163 -10.917 -5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.496 -13.239 -6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.773 -13.152 -7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.658 -11.966 -8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.317 -11.655 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.322 -12.592 -7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.508 -14.346 -7.713 1.00 0.00 H new ATOM 1354 N GLU A 88 5.188 -10.557 -8.786 1.00 0.00 N ATOM 1355 CA GLU A 88 5.241 -9.665 -9.942 1.00 0.00 C ATOM 1356 C GLU A 88 5.073 -8.208 -9.518 1.00 0.00 C ATOM 1357 O GLU A 88 5.545 -7.295 -10.195 1.00 0.00 O ATOM 1358 CB GLU A 88 4.154 -10.041 -10.951 1.00 0.00 C ATOM 1359 CG GLU A 88 4.590 -11.105 -11.945 1.00 0.00 C ATOM 1360 CD GLU A 88 4.767 -12.467 -11.302 1.00 0.00 C ATOM 1361 OE1 GLU A 88 3.817 -12.939 -10.642 1.00 0.00 O ATOM 1362 OE2 GLU A 88 5.854 -13.060 -11.458 1.00 0.00 O ATOM 0 H GLU A 88 4.611 -11.387 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 88 6.219 -9.777 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.276 -10.397 -10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.852 -9.147 -11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.850 -11.177 -12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.529 -10.801 -12.408 1.00 0.00 H new ATOM 1369 N PHE A 89 4.399 -8.001 -8.390 1.00 0.00 N ATOM 1370 CA PHE A 89 4.169 -6.663 -7.869 1.00 0.00 C ATOM 1371 C PHE A 89 5.154 -6.333 -6.749 1.00 0.00 C ATOM 1372 O PHE A 89 5.470 -5.166 -6.515 1.00 0.00 O ATOM 1373 CB PHE A 89 2.726 -6.547 -7.366 1.00 0.00 C ATOM 1374 CG PHE A 89 2.404 -5.240 -6.695 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.919 -4.940 -5.443 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.577 -4.318 -7.313 1.00 0.00 C ATOM 1377 CE1 PHE A 89 2.617 -3.743 -4.823 1.00 0.00 C ATOM 1378 CE2 PHE A 89 1.269 -3.121 -6.697 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.790 -2.832 -5.451 1.00 0.00 C ATOM 0 H PHE A 89 4.002 -8.748 -7.820 1.00 0.00 H new ATOM 0 HA PHE A 89 4.327 -5.944 -8.673 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.048 -6.685 -8.209 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.532 -7.359 -6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.564 -5.650 -4.947 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.168 -4.537 -8.288 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.027 -3.520 -3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.621 -2.411 -7.189 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.551 -1.896 -4.969 1.00 0.00 H new ATOM 1389 N LEU A 90 5.633 -7.362 -6.059 1.00 0.00 N ATOM 1390 CA LEU A 90 6.578 -7.170 -4.964 1.00 0.00 C ATOM 1391 C LEU A 90 8.021 -7.244 -5.459 1.00 0.00 C ATOM 1392 O LEU A 90 8.685 -6.219 -5.618 1.00 0.00 O ATOM 1393 CB LEU A 90 6.343 -8.216 -3.869 1.00 0.00 C ATOM 1394 CG LEU A 90 5.904 -7.650 -2.516 1.00 0.00 C ATOM 1395 CD1 LEU A 90 5.834 -8.756 -1.473 1.00 0.00 C ATOM 1396 CD2 LEU A 90 6.850 -6.545 -2.063 1.00 0.00 C ATOM 0 H LEU A 90 5.384 -8.335 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 90 6.412 -6.176 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.585 -8.918 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.262 -8.784 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 90 4.908 -7.221 -2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.520 -8.336 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.115 -9.511 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.817 -9.215 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.520 -6.156 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.859 -6.947 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.849 -5.741 -2.799 1.00 0.00 H new