USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 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 31 CYS SG : rot 140:sc= 0.69 USER MOD Set 1.2: A 33 HIS : no HE2:sc= 0.521 K(o=1.2,f=-4.4!) USER MOD Set 2.1: A 5 TYR OH : rot 56:sc= 0.0464 USER MOD Set 2.2: A 34 CYS SG : rot 100:sc= 0.354 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 69:sc= 0.22 USER MOD Single : A 28 THR OG1 : rot 152:sc= 0.526 USER MOD Single : A 35 GLN : amide:sc= 1.02 K(o=1,f=-0.044) USER MOD Single : A 38 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.7!) USER MOD Single : A 46 SER OG : rot 78:sc= 0.105 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0125 USER MOD Single : A 53 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.43) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 102:sc= 1.29 USER MOD Single : A 93 SER OG : rot 44:sc= 0.763 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 42:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.210 -2.930 6.707 1.00 0.00 N ATOM 70 CA TYR A 5 8.287 -3.905 6.103 1.00 0.00 C ATOM 71 C TYR A 5 8.186 -5.261 6.833 1.00 0.00 C ATOM 72 O TYR A 5 9.004 -5.578 7.698 1.00 0.00 O ATOM 73 CB TYR A 5 8.738 -4.124 4.652 1.00 0.00 C ATOM 74 CG TYR A 5 8.250 -3.067 3.690 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.847 -1.792 3.648 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.171 -3.369 2.846 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.397 -0.845 2.716 1.00 0.00 C ATOM 78 CE2 TYR A 5 6.706 -2.418 1.917 1.00 0.00 C ATOM 79 CZ TYR A 5 7.356 -1.167 1.816 1.00 0.00 C ATOM 80 OH TYR A 5 6.998 -0.283 0.846 1.00 0.00 O ATOM 0 HA TYR A 5 7.284 -3.484 6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.827 -4.153 4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.384 -5.098 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.647 -1.545 4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.694 -4.336 2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.849 0.136 2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.859 -2.643 1.286 1.00 0.00 H new ATOM 0 HH TYR A 5 7.782 -0.058 0.303 1.00 0.00 H new ATOM 89 N SER A 6 7.201 -6.086 6.446 1.00 0.00 N ATOM 90 CA SER A 6 7.018 -7.463 6.932 1.00 0.00 C ATOM 91 C SER A 6 7.008 -8.500 5.787 1.00 0.00 C ATOM 92 O SER A 6 6.336 -8.315 4.769 1.00 0.00 O ATOM 93 CB SER A 6 5.697 -7.568 7.717 1.00 0.00 C ATOM 94 OG SER A 6 5.691 -6.708 8.851 1.00 0.00 O ATOM 0 H SER A 6 6.491 -5.807 5.769 1.00 0.00 H new ATOM 0 HA SER A 6 7.867 -7.688 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.863 -7.314 7.063 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.546 -8.598 8.040 1.00 0.00 H new ATOM 0 HG SER A 6 4.838 -6.798 9.325 1.00 0.00 H new ATOM 99 N ALA A 7 7.737 -9.612 5.941 1.00 0.00 N ATOM 100 CA ALA A 7 7.840 -10.689 4.944 1.00 0.00 C ATOM 101 C ALA A 7 6.852 -11.842 5.194 1.00 0.00 C ATOM 102 O ALA A 7 6.480 -12.567 4.269 1.00 0.00 O ATOM 103 CB ALA A 7 9.285 -11.199 4.940 1.00 0.00 C ATOM 0 H ALA A 7 8.285 -9.794 6.782 1.00 0.00 H new ATOM 0 HA ALA A 7 7.571 -10.282 3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.386 -12.000 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.958 -10.382 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.540 -11.579 5.930 1.00 0.00 H new ATOM 109 N GLU A 8 6.389 -11.991 6.436 1.00 0.00 N ATOM 110 CA GLU A 8 5.448 -13.011 6.920 1.00 0.00 C ATOM 111 C GLU A 8 3.964 -12.676 6.623 1.00 0.00 C ATOM 112 O GLU A 8 3.055 -13.095 7.345 1.00 0.00 O ATOM 113 CB GLU A 8 5.716 -13.293 8.411 1.00 0.00 C ATOM 114 CG GLU A 8 5.567 -12.078 9.347 1.00 0.00 C ATOM 115 CD GLU A 8 6.891 -11.321 9.541 1.00 0.00 C ATOM 116 OE1 GLU A 8 7.262 -10.515 8.656 1.00 0.00 O ATOM 117 OE2 GLU A 8 7.564 -11.534 10.576 1.00 0.00 O ATOM 0 H GLU A 8 6.679 -11.361 7.184 1.00 0.00 H new ATOM 0 HA GLU A 8 5.628 -13.927 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.033 -14.074 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.727 -13.688 8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.819 -11.398 8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.198 -12.413 10.316 1.00 0.00 H new ATOM 122 N ALA A 9 3.705 -11.906 5.564 1.00 0.00 N ATOM 123 CA ALA A 9 2.374 -11.429 5.176 1.00 0.00 C ATOM 124 C ALA A 9 1.383 -12.561 4.804 1.00 0.00 C ATOM 125 O ALA A 9 1.814 -13.633 4.362 1.00 0.00 O ATOM 126 CB ALA A 9 2.536 -10.449 4.013 1.00 0.00 C ATOM 0 H ALA A 9 4.439 -11.586 4.932 1.00 0.00 H new ATOM 0 HA ALA A 9 1.932 -10.939 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.556 -10.081 3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.157 -9.610 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.011 -10.956 3.173 1.00 0.00 H new ATOM 132 N PRO A 10 0.065 -12.303 4.910 1.00 0.00 N ATOM 133 CA PRO A 10 -0.992 -13.220 4.504 1.00 0.00 C ATOM 134 C PRO A 10 -1.109 -13.313 2.970 1.00 0.00 C ATOM 135 O PRO A 10 -0.598 -12.466 2.234 1.00 0.00 O ATOM 136 CB PRO A 10 -2.269 -12.646 5.121 1.00 0.00 C ATOM 137 CG PRO A 10 -1.994 -11.149 5.107 1.00 0.00 C ATOM 138 CD PRO A 10 -0.515 -11.069 5.421 1.00 0.00 C ATOM 0 HA PRO A 10 -0.793 -14.237 4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.153 -12.902 4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.435 -13.019 6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.225 -10.706 4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.593 -10.622 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.061 -10.198 4.948 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.347 -10.973 6.494 1.00 0.00 H new ATOM 143 N ALA A 11 -1.808 -14.354 2.502 1.00 0.00 N ATOM 144 CA ALA A 11 -2.040 -14.624 1.079 1.00 0.00 C ATOM 145 C ALA A 11 -3.239 -13.847 0.505 1.00 0.00 C ATOM 146 O ALA A 11 -4.136 -13.437 1.239 1.00 0.00 O ATOM 147 CB ALA A 11 -2.229 -16.135 0.914 1.00 0.00 C ATOM 0 H ALA A 11 -2.237 -15.047 3.116 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.176 -14.278 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.404 -16.367 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.333 -16.653 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.085 -16.461 1.505 1.00 0.00 H new ATOM 153 N ARG A 12 -3.315 -13.704 -0.825 1.00 0.00 N ATOM 154 CA ARG A 12 -4.383 -12.955 -1.520 1.00 0.00 C ATOM 155 C ARG A 12 -5.790 -13.510 -1.225 1.00 0.00 C ATOM 156 O ARG A 12 -6.755 -12.751 -1.163 1.00 0.00 O ATOM 157 CB ARG A 12 -4.096 -12.943 -3.035 1.00 0.00 C ATOM 158 CG ARG A 12 -4.272 -11.562 -3.699 1.00 0.00 C ATOM 159 CD ARG A 12 -5.692 -10.983 -3.610 1.00 0.00 C ATOM 160 NE ARG A 12 -5.817 -9.775 -4.450 1.00 0.00 N ATOM 161 CZ ARG A 12 -6.642 -9.582 -5.475 1.00 0.00 C ATOM 162 NH1 ARG A 12 -7.486 -10.503 -5.897 1.00 0.00 N ATOM 163 NH2 ARG A 12 -6.634 -8.423 -6.099 1.00 0.00 N ATOM 0 H ARG A 12 -2.629 -14.109 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.378 -11.934 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.076 -13.288 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.758 -13.657 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.579 -10.860 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.992 -11.641 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.416 -11.732 -3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.926 -10.737 -2.574 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.199 -8.998 -4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.525 -11.410 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.100 -10.308 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.999 -7.685 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.262 -8.263 -6.887 1.00 0.00 H new ATOM 174 N ASP A 13 -5.909 -14.820 -0.995 1.00 0.00 N ATOM 175 CA ASP A 13 -7.152 -15.488 -0.585 1.00 0.00 C ATOM 176 C ASP A 13 -7.527 -15.255 0.896 1.00 0.00 C ATOM 177 O ASP A 13 -8.683 -15.438 1.273 1.00 0.00 O ATOM 178 CB ASP A 13 -7.022 -16.996 -0.852 1.00 0.00 C ATOM 179 CG ASP A 13 -6.828 -17.304 -2.344 1.00 0.00 C ATOM 180 OD1 ASP A 13 -7.840 -17.381 -3.082 1.00 0.00 O ATOM 181 OD2 ASP A 13 -5.659 -17.479 -2.770 1.00 0.00 O ATOM 0 H ASP A 13 -5.124 -15.464 -1.091 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.956 -15.049 -1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.178 -17.392 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.915 -17.506 -0.490 1.00 0.00 H new ATOM 185 N GLU A 14 -6.567 -14.841 1.734 1.00 0.00 N ATOM 186 CA GLU A 14 -6.779 -14.428 3.121 1.00 0.00 C ATOM 187 C GLU A 14 -7.090 -12.925 3.229 1.00 0.00 C ATOM 188 O GLU A 14 -7.871 -12.527 4.097 1.00 0.00 O ATOM 189 CB GLU A 14 -5.533 -14.788 3.947 1.00 0.00 C ATOM 190 CG GLU A 14 -5.253 -16.297 4.014 1.00 0.00 C ATOM 191 CD GLU A 14 -4.001 -16.582 4.855 1.00 0.00 C ATOM 192 OE1 GLU A 14 -2.882 -16.245 4.404 1.00 0.00 O ATOM 193 OE2 GLU A 14 -4.140 -17.140 5.969 1.00 0.00 O ATOM 0 H GLU A 14 -5.589 -14.784 1.451 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.647 -14.958 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.666 -14.285 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.656 -14.405 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.111 -16.812 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.118 -16.691 3.007 1.00 0.00 H new ATOM 198 N LEU A 15 -6.571 -12.093 2.319 1.00 0.00 N ATOM 199 CA LEU A 15 -6.962 -10.680 2.177 1.00 0.00 C ATOM 200 C LEU A 15 -8.458 -10.537 1.841 1.00 0.00 C ATOM 201 O LEU A 15 -9.105 -9.600 2.295 1.00 0.00 O ATOM 202 CB LEU A 15 -6.113 -9.987 1.091 1.00 0.00 C ATOM 203 CG LEU A 15 -4.801 -9.362 1.602 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.719 -10.385 1.937 1.00 0.00 C ATOM 205 CD2 LEU A 15 -4.236 -8.449 0.516 1.00 0.00 C ATOM 0 H LEU A 15 -5.858 -12.383 1.650 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.781 -10.195 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.875 -10.715 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.713 -9.207 0.623 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.054 -8.830 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.826 -9.868 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.081 -11.056 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.475 -10.962 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.306 -8.000 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.041 -9.032 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.956 -7.663 0.291 1.00 0.00 H new ATOM 216 N ASP A 16 -9.032 -11.485 1.103 1.00 0.00 N ATOM 217 CA ASP A 16 -10.456 -11.530 0.747 1.00 0.00 C ATOM 218 C ASP A 16 -11.387 -11.588 1.983 1.00 0.00 C ATOM 219 O ASP A 16 -12.560 -11.224 1.898 1.00 0.00 O ATOM 220 CB ASP A 16 -10.678 -12.749 -0.174 1.00 0.00 C ATOM 221 CG ASP A 16 -12.116 -12.837 -0.708 1.00 0.00 C ATOM 222 OD1 ASP A 16 -12.478 -12.028 -1.594 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.859 -13.745 -0.269 1.00 0.00 O ATOM 0 H ASP A 16 -8.505 -12.271 0.722 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.717 -10.606 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.986 -12.695 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.442 -13.661 0.375 1.00 0.00 H new ATOM 227 N ARG A 17 -10.856 -12.003 3.140 1.00 0.00 N ATOM 228 CA ARG A 17 -11.562 -12.058 4.423 1.00 0.00 C ATOM 229 C ARG A 17 -11.620 -10.710 5.161 1.00 0.00 C ATOM 230 O ARG A 17 -12.369 -10.599 6.140 1.00 0.00 O ATOM 231 CB ARG A 17 -10.902 -13.112 5.329 1.00 0.00 C ATOM 232 CG ARG A 17 -10.754 -14.510 4.701 1.00 0.00 C ATOM 233 CD ARG A 17 -12.067 -15.135 4.204 1.00 0.00 C ATOM 234 NE ARG A 17 -13.026 -15.364 5.304 1.00 0.00 N ATOM 235 CZ ARG A 17 -14.338 -15.553 5.188 1.00 0.00 C ATOM 236 NH1 ARG A 17 -14.943 -15.543 4.019 1.00 0.00 N ATOM 237 NH2 ARG A 17 -15.068 -15.760 6.263 1.00 0.00 N ATOM 0 H ARG A 17 -9.889 -12.320 3.209 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.593 -12.328 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.914 -12.754 5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.488 -13.201 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.059 -14.445 3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.306 -15.178 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.520 -14.481 3.459 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.852 -16.082 3.708 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.643 -15.379 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.404 -15.387 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.951 -15.691 3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.628 -15.775 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.074 -15.905 6.176 1.00 0.00 H new ATOM 248 N LEU A 18 -10.829 -9.704 4.755 1.00 0.00 N ATOM 249 CA LEU A 18 -10.803 -8.385 5.422 1.00 0.00 C ATOM 250 C LEU A 18 -12.087 -7.570 5.184 1.00 0.00 C ATOM 251 O LEU A 18 -12.904 -7.930 4.333 1.00 0.00 O ATOM 252 CB LEU A 18 -9.479 -7.639 5.120 1.00 0.00 C ATOM 253 CG LEU A 18 -9.324 -6.782 3.840 1.00 0.00 C ATOM 254 CD1 LEU A 18 -10.034 -5.416 3.900 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.825 -6.517 3.618 1.00 0.00 C ATOM 0 H LEU A 18 -10.192 -9.777 3.961 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.807 -8.545 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.280 -6.985 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.687 -8.388 5.101 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.787 -7.348 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.874 -4.882 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.102 -5.568 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.628 -4.831 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.691 -5.914 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.419 -5.984 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.302 -7.466 3.499 1.00 0.00 H new ATOM 266 N ALA A 19 -12.286 -6.480 5.943 1.00 0.00 N ATOM 267 CA ALA A 19 -13.483 -5.632 5.842 1.00 0.00 C ATOM 268 C ALA A 19 -13.214 -4.113 5.855 1.00 0.00 C ATOM 269 O ALA A 19 -13.779 -3.393 5.030 1.00 0.00 O ATOM 270 CB ALA A 19 -14.446 -6.037 6.969 1.00 0.00 C ATOM 0 H ALA A 19 -11.619 -6.162 6.646 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.922 -5.807 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.345 -5.422 6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.717 -7.087 6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.960 -5.889 7.933 1.00 0.00 H new ATOM 276 N GLY A 20 -12.360 -3.612 6.753 1.00 0.00 N ATOM 277 CA GLY A 20 -12.099 -2.172 6.899 1.00 0.00 C ATOM 278 C GLY A 20 -11.186 -1.599 5.799 1.00 0.00 C ATOM 279 O GLY A 20 -10.581 -2.381 5.057 1.00 0.00 O ATOM 0 H GLY A 20 -11.828 -4.193 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.048 -1.636 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.641 -1.990 7.871 1.00 0.00 H new ATOM 283 N PRO A 21 -11.067 -0.260 5.681 1.00 0.00 N ATOM 284 CA PRO A 21 -10.192 0.380 4.705 1.00 0.00 C ATOM 285 C PRO A 21 -8.734 0.034 5.014 1.00 0.00 C ATOM 286 O PRO A 21 -8.180 0.482 6.020 1.00 0.00 O ATOM 287 CB PRO A 21 -10.485 1.884 4.798 1.00 0.00 C ATOM 288 CG PRO A 21 -11.016 2.061 6.219 1.00 0.00 C ATOM 289 CD PRO A 21 -11.730 0.746 6.506 1.00 0.00 C ATOM 0 HA PRO A 21 -10.369 0.036 3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.587 2.478 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.218 2.196 4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.208 2.241 6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.697 2.909 6.289 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.664 0.489 7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.790 0.816 6.260 1.00 0.00 H new ATOM 294 N THR A 22 -8.132 -0.796 4.156 1.00 0.00 N ATOM 295 CA THR A 22 -6.773 -1.330 4.330 1.00 0.00 C ATOM 296 C THR A 22 -5.969 -1.113 3.061 1.00 0.00 C ATOM 297 O THR A 22 -6.264 -1.693 2.020 1.00 0.00 O ATOM 298 CB THR A 22 -6.820 -2.829 4.664 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.620 -3.036 5.802 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.427 -3.382 4.986 1.00 0.00 C ATOM 0 H THR A 22 -8.584 -1.124 3.302 1.00 0.00 H new ATOM 0 HA THR A 22 -6.296 -0.803 5.157 1.00 0.00 H new ATOM 0 HB THR A 22 -7.224 -3.339 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.556 -2.848 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.502 -4.445 5.217 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.772 -3.243 4.126 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.015 -2.852 5.845 1.00 0.00 H new ATOM 308 N LEU A 23 -4.923 -0.297 3.132 1.00 0.00 N ATOM 309 CA LEU A 23 -3.955 -0.151 2.053 1.00 0.00 C ATOM 310 C LEU A 23 -2.907 -1.262 2.155 1.00 0.00 C ATOM 311 O LEU A 23 -2.315 -1.452 3.212 1.00 0.00 O ATOM 312 CB LEU A 23 -3.327 1.254 2.127 1.00 0.00 C ATOM 313 CG LEU A 23 -2.361 1.574 0.972 1.00 0.00 C ATOM 314 CD1 LEU A 23 -3.036 1.332 -0.375 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.860 3.005 1.055 1.00 0.00 C ATOM 0 H LEU A 23 -4.722 0.285 3.945 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.441 -0.248 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.125 1.997 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.792 1.351 3.071 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.504 0.907 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.337 1.564 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.339 0.288 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.914 1.972 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.180 3.201 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.706 3.690 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.334 3.152 1.998 1.00 0.00 H new ATOM 326 N VAL A 24 -2.665 -1.981 1.064 1.00 0.00 N ATOM 327 CA VAL A 24 -1.660 -3.054 0.981 1.00 0.00 C ATOM 328 C VAL A 24 -0.514 -2.604 0.083 1.00 0.00 C ATOM 329 O VAL A 24 -0.725 -2.395 -1.108 1.00 0.00 O ATOM 330 CB VAL A 24 -2.289 -4.370 0.464 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.258 -5.507 0.452 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.502 -4.777 1.324 1.00 0.00 C ATOM 0 H VAL A 24 -3.169 -1.837 0.189 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.272 -3.254 1.980 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.626 -4.192 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.727 -6.420 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.427 -5.238 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.887 -5.672 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.926 -5.705 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.183 -4.924 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.256 -3.991 1.285 1.00 0.00 H new ATOM 342 N GLU A 25 0.675 -2.437 0.664 1.00 0.00 N ATOM 343 CA GLU A 25 1.858 -1.850 0.031 1.00 0.00 C ATOM 344 C GLU A 25 2.929 -2.904 -0.252 1.00 0.00 C ATOM 345 O GLU A 25 3.318 -3.664 0.642 1.00 0.00 O ATOM 346 CB GLU A 25 2.397 -0.747 0.950 1.00 0.00 C ATOM 347 CG GLU A 25 3.662 -0.039 0.445 1.00 0.00 C ATOM 348 CD GLU A 25 4.243 0.942 1.477 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.513 0.532 2.628 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.472 2.123 1.121 1.00 0.00 O ATOM 0 H GLU A 25 0.848 -2.719 1.629 1.00 0.00 H new ATOM 0 HA GLU A 25 1.580 -1.427 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.615 -0.001 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.608 -1.181 1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.416 -0.785 0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.430 0.501 -0.473 1.00 0.00 H new ATOM 355 N PHE A 26 3.436 -2.913 -1.489 1.00 0.00 N ATOM 356 CA PHE A 26 4.520 -3.777 -1.948 1.00 0.00 C ATOM 357 C PHE A 26 5.824 -2.975 -2.032 1.00 0.00 C ATOM 358 O PHE A 26 5.885 -1.909 -2.653 1.00 0.00 O ATOM 359 CB PHE A 26 4.154 -4.370 -3.318 1.00 0.00 C ATOM 360 CG PHE A 26 2.755 -4.947 -3.367 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.366 -5.927 -2.433 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.818 -4.446 -4.288 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.030 -6.359 -2.386 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.494 -4.919 -4.267 1.00 0.00 C ATOM 365 CZ PHE A 26 0.092 -5.845 -3.292 1.00 0.00 C ATOM 0 H PHE A 26 3.088 -2.295 -2.222 1.00 0.00 H new ATOM 0 HA PHE A 26 4.666 -4.593 -1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.246 -3.594 -4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.871 -5.151 -3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.094 -6.346 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.115 -3.700 -5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.725 -7.089 -1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.215 -4.569 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.939 -6.161 -3.240 1.00 0.00 H new ATOM 374 N GLY A 27 6.876 -3.495 -1.400 1.00 0.00 N ATOM 375 CA GLY A 27 8.177 -2.826 -1.324 1.00 0.00 C ATOM 376 C GLY A 27 9.187 -3.550 -0.439 1.00 0.00 C ATOM 377 O GLY A 27 9.014 -4.735 -0.165 1.00 0.00 O ATOM 0 H GLY A 27 6.851 -4.397 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.588 -2.734 -2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.034 -1.814 -0.945 1.00 0.00 H new ATOM 381 N THR A 28 10.228 -2.841 0.008 1.00 0.00 N ATOM 382 CA THR A 28 11.213 -3.242 1.034 1.00 0.00 C ATOM 383 C THR A 28 11.658 -2.008 1.812 1.00 0.00 C ATOM 384 O THR A 28 11.309 -0.883 1.463 1.00 0.00 O ATOM 385 CB THR A 28 12.435 -3.960 0.430 1.00 0.00 C ATOM 386 OG1 THR A 28 13.093 -3.098 -0.469 1.00 0.00 O ATOM 387 CG2 THR A 28 12.079 -5.260 -0.290 1.00 0.00 C ATOM 0 H THR A 28 10.424 -1.909 -0.357 1.00 0.00 H new ATOM 0 HA THR A 28 10.728 -3.954 1.702 1.00 0.00 H new ATOM 0 HB THR A 28 13.085 -4.224 1.264 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.043 -3.334 -0.513 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.985 -5.714 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.609 -5.948 0.413 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.388 -5.047 -1.106 1.00 0.00 H new ATOM 395 N ASP A 29 12.464 -2.192 2.859 1.00 0.00 N ATOM 396 CA ASP A 29 13.019 -1.064 3.613 1.00 0.00 C ATOM 397 C ASP A 29 14.234 -0.427 2.914 1.00 0.00 C ATOM 398 O ASP A 29 14.728 0.605 3.376 1.00 0.00 O ATOM 399 CB ASP A 29 13.341 -1.503 5.052 1.00 0.00 C ATOM 400 CG ASP A 29 14.498 -2.508 5.135 1.00 0.00 C ATOM 401 OD1 ASP A 29 14.241 -3.720 4.965 1.00 0.00 O ATOM 402 OD2 ASP A 29 15.655 -2.082 5.381 1.00 0.00 O ATOM 0 H ASP A 29 12.747 -3.109 3.204 1.00 0.00 H new ATOM 0 HA ASP A 29 12.262 -0.281 3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.589 -0.623 5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.451 -1.947 5.497 1.00 0.00 H new ATOM 406 N TRP A 30 14.715 -1.023 1.810 1.00 0.00 N ATOM 407 CA TRP A 30 16.015 -0.728 1.204 1.00 0.00 C ATOM 408 C TRP A 30 16.002 -0.337 -0.289 1.00 0.00 C ATOM 409 O TRP A 30 16.983 0.261 -0.749 1.00 0.00 O ATOM 410 CB TRP A 30 16.930 -1.941 1.459 1.00 0.00 C ATOM 411 CG TRP A 30 16.424 -3.287 1.054 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.933 -4.227 1.893 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.392 -3.885 -0.276 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.571 -5.349 1.175 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.805 -5.183 -0.173 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.789 -3.457 -1.562 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.583 -5.990 -1.296 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.577 -4.266 -2.692 1.00 0.00 C ATOM 419 CH2 TRP A 30 15.966 -5.525 -2.567 1.00 0.00 C ATOM 0 H TRP A 30 14.194 -1.740 1.305 1.00 0.00 H new ATOM 0 HA TRP A 30 16.387 0.178 1.682 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.872 -1.766 0.939 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.155 -1.974 2.525 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.838 -4.117 2.963 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.180 -6.195 1.590 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.263 -2.494 -1.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.122 -6.961 -1.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 16.887 -3.916 -3.666 1.00 0.00 H new ATOM 0 HH2 TRP A 30 15.791 -6.133 -3.443 1.00 0.00 H new ATOM 429 N CYS A 31 14.936 -0.598 -1.061 1.00 0.00 N ATOM 430 CA CYS A 31 14.857 -0.164 -2.471 1.00 0.00 C ATOM 431 C CYS A 31 14.813 1.370 -2.600 1.00 0.00 C ATOM 432 O CYS A 31 14.145 2.044 -1.812 1.00 0.00 O ATOM 433 CB CYS A 31 13.652 -0.810 -3.170 1.00 0.00 C ATOM 434 SG CYS A 31 13.561 -0.252 -4.906 1.00 0.00 S ATOM 0 H CYS A 31 14.115 -1.108 -0.736 1.00 0.00 H new ATOM 0 HA CYS A 31 15.767 -0.501 -2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.739 -1.896 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.733 -0.546 -2.646 1.00 0.00 H new ATOM 0 HG CYS A 31 13.226 -1.252 -5.666 1.00 0.00 H new ATOM 439 N GLY A 32 15.481 1.926 -3.620 1.00 0.00 N ATOM 440 CA GLY A 32 15.498 3.361 -3.919 1.00 0.00 C ATOM 441 C GLY A 32 14.144 3.915 -4.361 1.00 0.00 C ATOM 442 O GLY A 32 13.886 5.099 -4.132 1.00 0.00 O ATOM 0 H GLY A 32 16.037 1.376 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.830 3.903 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.231 3.551 -4.703 1.00 0.00 H new ATOM 446 N HIS A 33 13.241 3.087 -4.910 1.00 0.00 N ATOM 447 CA HIS A 33 11.835 3.476 -5.061 1.00 0.00 C ATOM 448 C HIS A 33 11.179 3.668 -3.687 1.00 0.00 C ATOM 449 O HIS A 33 10.511 4.672 -3.421 1.00 0.00 O ATOM 450 CB HIS A 33 11.042 2.387 -5.807 1.00 0.00 C ATOM 451 CG HIS A 33 11.540 1.950 -7.156 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.948 0.678 -7.477 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.403 2.641 -8.326 1.00 0.00 C ATOM 454 CE1 HIS A 33 12.030 0.597 -8.816 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.720 1.779 -9.388 1.00 0.00 N ATOM 0 H HIS A 33 13.460 2.152 -5.253 1.00 0.00 H new ATOM 0 HA HIS A 33 11.817 4.408 -5.626 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.999 1.507 -5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.019 2.743 -5.928 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.152 -0.072 -6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.102 3.674 -8.419 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.307 -0.294 -9.360 1.00 0.00 H new ATOM 463 N CYS A 34 11.386 2.696 -2.794 1.00 0.00 N ATOM 464 CA CYS A 34 10.827 2.705 -1.454 1.00 0.00 C ATOM 465 C CYS A 34 11.323 3.894 -0.634 1.00 0.00 C ATOM 466 O CYS A 34 10.515 4.513 0.046 1.00 0.00 O ATOM 467 CB CYS A 34 11.161 1.376 -0.779 1.00 0.00 C ATOM 468 SG CYS A 34 9.908 0.184 -1.315 1.00 0.00 S ATOM 0 H CYS A 34 11.955 1.873 -2.992 1.00 0.00 H new ATOM 0 HA CYS A 34 9.745 2.819 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.159 1.040 -1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.154 1.482 0.306 1.00 0.00 H new ATOM 0 HG CYS A 34 10.394 -0.560 -2.264 1.00 0.00 H new ATOM 473 N GLN A 35 12.596 4.285 -0.755 1.00 0.00 N ATOM 474 CA GLN A 35 13.135 5.396 0.030 1.00 0.00 C ATOM 475 C GLN A 35 12.417 6.726 -0.270 1.00 0.00 C ATOM 476 O GLN A 35 12.408 7.632 0.562 1.00 0.00 O ATOM 477 CB GLN A 35 14.636 5.594 -0.235 1.00 0.00 C ATOM 478 CG GLN A 35 15.527 4.376 -0.010 1.00 0.00 C ATOM 479 CD GLN A 35 15.232 3.584 1.250 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.531 3.980 2.371 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.633 2.427 1.110 1.00 0.00 N ATOM 0 H GLN A 35 13.268 3.850 -1.387 1.00 0.00 H new ATOM 0 HA GLN A 35 12.971 5.127 1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.761 5.924 -1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.993 6.402 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.430 3.712 -0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.565 4.706 0.022 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.382 2.092 0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.418 1.861 1.931 1.00 0.00 H new ATOM 488 N ALA A 36 11.814 6.828 -1.461 1.00 0.00 N ATOM 489 CA ALA A 36 10.995 7.950 -1.913 1.00 0.00 C ATOM 490 C ALA A 36 9.508 7.776 -1.553 1.00 0.00 C ATOM 491 O ALA A 36 8.862 8.745 -1.147 1.00 0.00 O ATOM 492 CB ALA A 36 11.193 8.093 -3.427 1.00 0.00 C ATOM 0 H ALA A 36 11.890 6.094 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 36 11.313 8.858 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.593 8.925 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.245 8.282 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.882 7.174 -3.923 1.00 0.00 H new ATOM 498 N ALA A 37 8.950 6.564 -1.682 1.00 0.00 N ATOM 499 CA ALA A 37 7.524 6.290 -1.448 1.00 0.00 C ATOM 500 C ALA A 37 7.185 6.112 0.044 1.00 0.00 C ATOM 501 O ALA A 37 6.093 6.480 0.467 1.00 0.00 O ATOM 502 CB ALA A 37 7.115 5.066 -2.266 1.00 0.00 C ATOM 0 H ALA A 37 9.481 5.737 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 37 6.951 7.158 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.059 4.854 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.283 5.263 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.711 4.207 -1.958 1.00 0.00 H new ATOM 508 N GLN A 38 8.110 5.593 0.858 1.00 0.00 N ATOM 509 CA GLN A 38 7.929 5.382 2.300 1.00 0.00 C ATOM 510 C GLN A 38 7.606 6.693 3.049 1.00 0.00 C ATOM 511 O GLN A 38 6.554 6.732 3.700 1.00 0.00 O ATOM 512 CB GLN A 38 9.178 4.703 2.894 1.00 0.00 C ATOM 513 CG GLN A 38 9.232 3.185 2.640 1.00 0.00 C ATOM 514 CD GLN A 38 10.589 2.590 3.044 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.616 2.811 2.419 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.682 1.849 4.128 1.00 0.00 N ATOM 0 H GLN A 38 9.029 5.300 0.525 1.00 0.00 H new ATOM 0 HA GLN A 38 7.068 4.726 2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.069 5.166 2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.204 4.885 3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.437 2.694 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.047 2.986 1.584 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.848 1.642 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.588 1.482 4.419 1.00 0.00 H new ATOM 523 N PRO A 39 8.413 7.772 2.952 1.00 0.00 N ATOM 524 CA PRO A 39 8.072 9.056 3.558 1.00 0.00 C ATOM 525 C PRO A 39 6.878 9.734 2.868 1.00 0.00 C ATOM 526 O PRO A 39 6.255 10.608 3.469 1.00 0.00 O ATOM 527 CB PRO A 39 9.333 9.917 3.466 1.00 0.00 C ATOM 528 CG PRO A 39 10.023 9.381 2.219 1.00 0.00 C ATOM 529 CD PRO A 39 9.705 7.889 2.279 1.00 0.00 C ATOM 0 HA PRO A 39 7.758 8.916 4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.093 10.976 3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.960 9.811 4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.635 9.842 1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.097 9.568 2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.662 7.460 1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.478 7.348 2.825 1.00 0.00 H new ATOM 534 N LEU A 40 6.523 9.318 1.645 1.00 0.00 N ATOM 535 CA LEU A 40 5.329 9.800 0.945 1.00 0.00 C ATOM 536 C LEU A 40 4.081 9.308 1.680 1.00 0.00 C ATOM 537 O LEU A 40 3.277 10.125 2.139 1.00 0.00 O ATOM 538 CB LEU A 40 5.329 9.301 -0.514 1.00 0.00 C ATOM 539 CG LEU A 40 4.998 10.308 -1.617 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.775 11.159 -1.281 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.193 11.200 -1.974 1.00 0.00 C ATOM 0 H LEU A 40 7.060 8.634 1.112 1.00 0.00 H new ATOM 0 HA LEU A 40 5.330 10.890 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.315 8.886 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.616 8.480 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 40 4.756 9.711 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.583 11.857 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.908 10.512 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.960 11.716 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.905 11.896 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.506 11.759 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.019 10.580 -2.323 1.00 0.00 H new ATOM 552 N LEU A 41 3.963 7.980 1.839 1.00 0.00 N ATOM 553 CA LEU A 41 2.846 7.340 2.532 1.00 0.00 C ATOM 554 C LEU A 41 2.775 7.865 3.960 1.00 0.00 C ATOM 555 O LEU A 41 1.691 8.214 4.413 1.00 0.00 O ATOM 556 CB LEU A 41 2.962 5.798 2.525 1.00 0.00 C ATOM 557 CG LEU A 41 2.323 5.064 1.327 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.876 5.464 1.066 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.189 5.205 0.073 1.00 0.00 C ATOM 0 H LEU A 41 4.652 7.317 1.484 1.00 0.00 H new ATOM 0 HA LEU A 41 1.928 7.589 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.019 5.535 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.508 5.418 3.440 1.00 0.00 H new ATOM 0 HG LEU A 41 2.285 4.009 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.494 4.908 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.272 5.238 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.826 6.532 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.717 4.679 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.295 6.260 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.174 4.777 0.261 1.00 0.00 H new ATOM 570 N ALA A 42 3.918 7.995 4.633 1.00 0.00 N ATOM 571 CA ALA A 42 3.997 8.530 5.994 1.00 0.00 C ATOM 572 C ALA A 42 3.415 9.953 6.122 1.00 0.00 C ATOM 573 O ALA A 42 2.775 10.258 7.130 1.00 0.00 O ATOM 574 CB ALA A 42 5.463 8.490 6.447 1.00 0.00 C ATOM 0 H ALA A 42 4.824 7.730 4.246 1.00 0.00 H new ATOM 0 HA ALA A 42 3.381 7.906 6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.542 8.885 7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.821 7.461 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.069 9.096 5.773 1.00 0.00 H new ATOM 580 N GLU A 43 3.581 10.805 5.102 1.00 0.00 N ATOM 581 CA GLU A 43 3.019 12.160 5.081 1.00 0.00 C ATOM 582 C GLU A 43 1.504 12.141 4.837 1.00 0.00 C ATOM 583 O GLU A 43 0.770 12.802 5.572 1.00 0.00 O ATOM 584 CB GLU A 43 3.719 13.031 4.032 1.00 0.00 C ATOM 585 CG GLU A 43 5.109 13.489 4.501 1.00 0.00 C ATOM 586 CD GLU A 43 5.028 14.647 5.506 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.828 15.811 5.082 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.185 14.405 6.729 1.00 0.00 O ATOM 0 H GLU A 43 4.112 10.571 4.263 1.00 0.00 H new ATOM 0 HA GLU A 43 3.194 12.596 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.816 12.471 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.103 13.904 3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.632 12.649 4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.698 13.799 3.638 1.00 0.00 H new ATOM 593 N VAL A 44 1.013 11.391 3.840 1.00 0.00 N ATOM 594 CA VAL A 44 -0.439 11.296 3.571 1.00 0.00 C ATOM 595 C VAL A 44 -1.208 10.640 4.731 1.00 0.00 C ATOM 596 O VAL A 44 -2.205 11.197 5.185 1.00 0.00 O ATOM 597 CB VAL A 44 -0.760 10.657 2.200 1.00 0.00 C ATOM 598 CG1 VAL A 44 -0.068 9.340 1.899 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.259 10.430 2.016 1.00 0.00 C ATOM 0 H VAL A 44 1.593 10.841 3.206 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.801 12.322 3.506 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.369 11.398 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.369 8.988 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.012 9.484 1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.350 8.601 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.442 9.980 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.625 9.764 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.782 11.384 2.079 1.00 0.00 H new ATOM 609 N PHE A 45 -0.730 9.497 5.240 1.00 0.00 N ATOM 610 CA PHE A 45 -1.385 8.711 6.302 1.00 0.00 C ATOM 611 C PHE A 45 -1.639 9.498 7.598 1.00 0.00 C ATOM 612 O PHE A 45 -2.579 9.166 8.318 1.00 0.00 O ATOM 613 CB PHE A 45 -0.580 7.437 6.644 1.00 0.00 C ATOM 614 CG PHE A 45 -1.115 6.143 6.066 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.301 5.597 6.592 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.412 5.436 5.074 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.765 4.353 6.138 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.876 4.187 4.640 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.064 3.650 5.154 1.00 0.00 C ATOM 0 H PHE A 45 0.144 9.080 4.919 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.356 8.443 5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.444 7.573 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.537 7.338 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.855 6.136 7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.486 5.856 4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.671 3.935 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.313 3.633 3.903 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.434 2.702 4.793 1.00 0.00 H new ATOM 628 N SER A 46 -0.851 10.538 7.893 1.00 0.00 N ATOM 629 CA SER A 46 -1.059 11.406 9.071 1.00 0.00 C ATOM 630 C SER A 46 -2.393 12.180 9.056 1.00 0.00 C ATOM 631 O SER A 46 -2.857 12.605 10.118 1.00 0.00 O ATOM 632 CB SER A 46 0.104 12.398 9.218 1.00 0.00 C ATOM 633 OG SER A 46 1.316 11.737 9.560 1.00 0.00 O ATOM 0 H SER A 46 -0.048 10.807 7.324 1.00 0.00 H new ATOM 0 HA SER A 46 -1.099 10.732 9.926 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.238 12.944 8.284 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.139 13.133 9.985 1.00 0.00 H new ATOM 0 HG SER A 46 1.693 11.312 8.762 1.00 0.00 H new ATOM 638 N ASP A 47 -3.029 12.342 7.893 1.00 0.00 N ATOM 639 CA ASP A 47 -4.375 12.930 7.769 1.00 0.00 C ATOM 640 C ASP A 47 -5.497 11.868 7.688 1.00 0.00 C ATOM 641 O ASP A 47 -6.678 12.205 7.785 1.00 0.00 O ATOM 642 CB ASP A 47 -4.406 13.864 6.550 1.00 0.00 C ATOM 643 CG ASP A 47 -5.561 14.884 6.611 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.639 15.641 7.607 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.353 14.974 5.638 1.00 0.00 O ATOM 0 H ASP A 47 -2.624 12.067 6.998 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.575 13.499 8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.458 14.398 6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.501 13.267 5.643 1.00 0.00 H new ATOM 649 N TYR A 48 -5.130 10.583 7.550 1.00 0.00 N ATOM 650 CA TYR A 48 -6.045 9.433 7.421 1.00 0.00 C ATOM 651 C TYR A 48 -5.697 8.243 8.366 1.00 0.00 C ATOM 652 O TYR A 48 -5.705 7.088 7.915 1.00 0.00 O ATOM 653 CB TYR A 48 -6.096 8.993 5.941 1.00 0.00 C ATOM 654 CG TYR A 48 -6.339 10.128 4.967 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.630 10.657 4.815 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.267 10.699 4.261 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.850 11.749 3.958 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.461 11.830 3.450 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.759 12.363 3.299 1.00 0.00 C ATOM 660 OH TYR A 48 -6.961 13.470 2.531 1.00 0.00 O ATOM 0 H TYR A 48 -4.149 10.304 7.524 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.033 9.761 7.743 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.156 8.504 5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.884 8.250 5.821 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.457 10.224 5.358 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.282 10.264 4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.852 12.120 3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.623 12.288 2.946 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.107 13.765 2.152 1.00 0.00 H new ATOM 669 N PRO A 49 -5.428 8.460 9.676 1.00 0.00 N ATOM 670 CA PRO A 49 -4.989 7.403 10.596 1.00 0.00 C ATOM 671 C PRO A 49 -6.024 6.285 10.793 1.00 0.00 C ATOM 672 O PRO A 49 -5.652 5.197 11.225 1.00 0.00 O ATOM 673 CB PRO A 49 -4.677 8.116 11.919 1.00 0.00 C ATOM 674 CG PRO A 49 -5.565 9.361 11.875 1.00 0.00 C ATOM 675 CD PRO A 49 -5.546 9.726 10.394 1.00 0.00 C ATOM 0 HA PRO A 49 -4.121 6.888 10.186 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.911 7.487 12.778 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.622 8.379 11.994 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.575 9.152 12.229 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.169 10.164 12.496 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.456 10.254 10.109 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.709 10.386 10.164 1.00 0.00 H new ATOM 680 N GLU A 50 -7.298 6.509 10.439 1.00 0.00 N ATOM 681 CA GLU A 50 -8.336 5.471 10.429 1.00 0.00 C ATOM 682 C GLU A 50 -8.169 4.410 9.315 1.00 0.00 C ATOM 683 O GLU A 50 -8.802 3.356 9.387 1.00 0.00 O ATOM 684 CB GLU A 50 -9.723 6.129 10.366 1.00 0.00 C ATOM 685 CG GLU A 50 -10.021 6.863 9.051 1.00 0.00 C ATOM 686 CD GLU A 50 -11.399 7.544 9.129 1.00 0.00 C ATOM 687 OE1 GLU A 50 -12.423 6.881 8.843 1.00 0.00 O ATOM 688 OE2 GLU A 50 -11.466 8.734 9.509 1.00 0.00 O ATOM 0 H GLU A 50 -7.639 7.426 10.149 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.228 4.915 11.361 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.482 5.362 10.519 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.813 6.836 11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.249 7.607 8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.001 6.159 8.219 1.00 0.00 H new ATOM 693 N VAL A 51 -7.315 4.653 8.309 1.00 0.00 N ATOM 694 CA VAL A 51 -6.925 3.654 7.294 1.00 0.00 C ATOM 695 C VAL A 51 -5.800 2.782 7.881 1.00 0.00 C ATOM 696 O VAL A 51 -4.907 3.295 8.560 1.00 0.00 O ATOM 697 CB VAL A 51 -6.507 4.325 5.957 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.140 3.311 4.863 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.631 5.219 5.410 1.00 0.00 C ATOM 0 H VAL A 51 -6.868 5.560 8.173 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.781 3.023 7.052 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.624 4.917 6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.857 3.842 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.304 2.699 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.998 2.671 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.310 5.675 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.522 4.616 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.860 6.000 6.135 1.00 0.00 H new ATOM 709 N GLY A 52 -5.832 1.468 7.621 1.00 0.00 N ATOM 710 CA GLY A 52 -4.766 0.521 7.988 1.00 0.00 C ATOM 711 C GLY A 52 -3.722 0.373 6.879 1.00 0.00 C ATOM 712 O GLY A 52 -4.046 0.546 5.709 1.00 0.00 O ATOM 0 H GLY A 52 -6.614 1.023 7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.278 0.861 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.205 -0.453 8.204 1.00 0.00 H new ATOM 716 N HIS A 53 -2.479 0.032 7.224 1.00 0.00 N ATOM 717 CA HIS A 53 -1.406 -0.201 6.248 1.00 0.00 C ATOM 718 C HIS A 53 -0.768 -1.591 6.441 1.00 0.00 C ATOM 719 O HIS A 53 -0.318 -1.924 7.542 1.00 0.00 O ATOM 720 CB HIS A 53 -0.343 0.902 6.377 1.00 0.00 C ATOM 721 CG HIS A 53 0.472 1.161 5.126 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.698 1.794 5.061 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.091 0.933 3.831 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.029 1.938 3.765 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.062 1.446 2.981 1.00 0.00 N ATOM 0 H HIS A 53 -2.184 -0.092 8.193 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.836 -0.172 5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.837 1.829 6.668 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.337 0.636 7.186 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.256 2.100 5.858 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.816 0.436 3.521 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.944 2.387 3.408 1.00 0.00 H new ATOM 733 N LEU A 54 -0.687 -2.382 5.371 1.00 0.00 N ATOM 734 CA LEU A 54 -0.003 -3.678 5.333 1.00 0.00 C ATOM 735 C LEU A 54 1.249 -3.571 4.448 1.00 0.00 C ATOM 736 O LEU A 54 1.168 -3.604 3.221 1.00 0.00 O ATOM 737 CB LEU A 54 -1.002 -4.754 4.856 1.00 0.00 C ATOM 738 CG LEU A 54 -0.419 -6.176 4.712 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.212 -6.698 6.014 1.00 0.00 C ATOM 740 CD2 LEU A 54 -1.523 -7.141 4.245 1.00 0.00 C ATOM 0 H LEU A 54 -1.109 -2.132 4.477 1.00 0.00 H new ATOM 0 HA LEU A 54 0.342 -3.974 6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.835 -4.790 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.410 -4.447 3.893 1.00 0.00 H new ATOM 0 HG LEU A 54 0.379 -6.123 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.605 -7.702 5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.023 -6.036 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.544 -6.727 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.110 -8.145 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.330 -7.153 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.912 -6.810 3.282 1.00 0.00 H new ATOM 751 N LYS A 55 2.423 -3.456 5.075 1.00 0.00 N ATOM 752 CA LYS A 55 3.726 -3.395 4.402 1.00 0.00 C ATOM 753 C LYS A 55 4.222 -4.803 4.030 1.00 0.00 C ATOM 754 O LYS A 55 4.828 -5.472 4.873 1.00 0.00 O ATOM 755 CB LYS A 55 4.734 -2.737 5.348 1.00 0.00 C ATOM 756 CG LYS A 55 4.602 -1.217 5.466 1.00 0.00 C ATOM 757 CD LYS A 55 5.005 -0.662 6.831 1.00 0.00 C ATOM 758 CE LYS A 55 4.132 -1.224 7.967 1.00 0.00 C ATOM 759 NZ LYS A 55 4.618 -0.810 9.312 1.00 0.00 N ATOM 0 H LYS A 55 2.497 -3.401 6.091 1.00 0.00 H new ATOM 0 HA LYS A 55 3.624 -2.816 3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.621 -3.176 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.741 -2.975 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.218 -0.749 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.569 -0.935 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.050 -0.903 7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.925 0.425 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.105 -0.885 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.119 -2.312 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.999 -1.213 10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.589 -1.155 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.606 0.228 9.381 1.00 0.00 H new ATOM 769 N VAL A 56 4.040 -5.242 2.784 1.00 0.00 N ATOM 770 CA VAL A 56 4.507 -6.558 2.311 1.00 0.00 C ATOM 771 C VAL A 56 5.864 -6.453 1.635 1.00 0.00 C ATOM 772 O VAL A 56 6.036 -5.723 0.659 1.00 0.00 O ATOM 773 CB VAL A 56 3.490 -7.258 1.378 1.00 0.00 C ATOM 774 CG1 VAL A 56 3.976 -8.677 1.038 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.118 -7.322 2.058 1.00 0.00 C ATOM 0 H VAL A 56 3.563 -4.696 2.066 1.00 0.00 H new ATOM 0 HA VAL A 56 4.606 -7.181 3.200 1.00 0.00 H new ATOM 0 HB VAL A 56 3.403 -6.685 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.254 -9.161 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.942 -8.620 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.077 -9.256 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.407 -7.816 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.199 -7.884 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.771 -6.311 2.274 1.00 0.00 H new ATOM 785 N GLU A 57 6.818 -7.196 2.199 1.00 0.00 N ATOM 786 CA GLU A 57 8.173 -7.321 1.707 1.00 0.00 C ATOM 787 C GLU A 57 8.177 -8.144 0.402 1.00 0.00 C ATOM 788 O GLU A 57 8.145 -9.374 0.418 1.00 0.00 O ATOM 789 CB GLU A 57 9.075 -7.903 2.802 1.00 0.00 C ATOM 790 CG GLU A 57 10.511 -7.460 2.558 1.00 0.00 C ATOM 791 CD GLU A 57 11.474 -8.047 3.601 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.422 -7.629 4.781 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.301 -8.915 3.232 1.00 0.00 O ATOM 0 H GLU A 57 6.652 -7.744 3.043 1.00 0.00 H new ATOM 0 HA GLU A 57 8.583 -6.341 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.740 -7.566 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.013 -8.991 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.823 -7.770 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.565 -6.372 2.585 1.00 0.00 H new ATOM 894 N GLY A 65 2.335 -8.830 -4.458 1.00 0.00 N ATOM 895 CA GLY A 65 2.119 -8.002 -5.665 1.00 0.00 C ATOM 896 C GLY A 65 2.087 -8.792 -6.979 1.00 0.00 C ATOM 897 O GLY A 65 1.476 -8.354 -7.957 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.178 -7.463 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.910 -7.254 -5.724 1.00 0.00 H new ATOM 901 N ARG A 66 2.654 -10.006 -6.963 1.00 0.00 N ATOM 902 CA ARG A 66 2.474 -11.037 -7.994 1.00 0.00 C ATOM 903 C ARG A 66 0.987 -11.387 -8.196 1.00 0.00 C ATOM 904 O ARG A 66 0.485 -11.349 -9.314 1.00 0.00 O ATOM 905 CB ARG A 66 3.302 -12.275 -7.582 1.00 0.00 C ATOM 906 CG ARG A 66 3.260 -13.414 -8.612 1.00 0.00 C ATOM 907 CD ARG A 66 4.003 -14.668 -8.129 1.00 0.00 C ATOM 908 NE ARG A 66 5.459 -14.453 -8.035 1.00 0.00 N ATOM 909 CZ ARG A 66 6.260 -14.781 -7.028 1.00 0.00 C ATOM 910 NH1 ARG A 66 5.826 -15.335 -5.917 1.00 0.00 N ATOM 911 NH2 ARG A 66 7.552 -14.560 -7.119 1.00 0.00 N ATOM 0 H ARG A 66 3.270 -10.307 -6.208 1.00 0.00 H new ATOM 0 HA ARG A 66 2.826 -10.662 -8.955 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.338 -11.974 -7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.933 -12.647 -6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.222 -13.670 -8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.702 -13.071 -9.547 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.618 -14.963 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.803 -15.493 -8.813 1.00 0.00 H new ATOM 0 HE ARG A 66 5.901 -14.001 -8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.832 -15.532 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.483 -15.568 -5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.939 -14.137 -7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.168 -14.812 -6.346 1.00 0.00 H new ATOM 922 N SER A 67 0.254 -11.642 -7.111 1.00 0.00 N ATOM 923 CA SER A 67 -1.170 -12.047 -7.135 1.00 0.00 C ATOM 924 C SER A 67 -2.151 -10.860 -7.240 1.00 0.00 C ATOM 925 O SER A 67 -3.353 -11.049 -7.447 1.00 0.00 O ATOM 926 CB SER A 67 -1.491 -12.871 -5.876 1.00 0.00 C ATOM 927 OG SER A 67 -0.709 -14.059 -5.812 1.00 0.00 O ATOM 0 H SER A 67 0.633 -11.574 -6.167 1.00 0.00 H new ATOM 0 HA SER A 67 -1.308 -12.643 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.307 -12.266 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.550 -13.131 -5.871 1.00 0.00 H new ATOM 0 HG SER A 67 -0.937 -14.557 -5.000 1.00 0.00 H new ATOM 932 N PHE A 68 -1.644 -9.625 -7.135 1.00 0.00 N ATOM 933 CA PHE A 68 -2.329 -8.402 -7.575 1.00 0.00 C ATOM 934 C PHE A 68 -1.995 -8.034 -9.031 1.00 0.00 C ATOM 935 O PHE A 68 -2.581 -7.086 -9.552 1.00 0.00 O ATOM 936 CB PHE A 68 -1.971 -7.259 -6.610 1.00 0.00 C ATOM 937 CG PHE A 68 -2.751 -7.319 -5.318 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.287 -8.090 -4.243 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.953 -6.600 -5.205 1.00 0.00 C ATOM 940 CE1 PHE A 68 -2.992 -8.111 -3.031 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.677 -6.638 -3.999 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.191 -7.381 -2.909 1.00 0.00 C ATOM 0 H PHE A 68 -0.725 -9.444 -6.732 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.404 -8.578 -7.552 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.905 -7.298 -6.388 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.160 -6.304 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.382 -8.670 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.319 -6.021 -6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.618 -8.684 -2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.607 -6.096 -3.911 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.737 -7.392 -1.977 1.00 0.00 H new ATOM 951 N GLN A 69 -1.078 -8.762 -9.690 1.00 0.00 N ATOM 952 CA GLN A 69 -0.671 -8.552 -11.085 1.00 0.00 C ATOM 953 C GLN A 69 -0.170 -7.106 -11.301 1.00 0.00 C ATOM 954 O GLN A 69 -0.559 -6.425 -12.247 1.00 0.00 O ATOM 955 CB GLN A 69 -1.798 -8.995 -12.048 1.00 0.00 C ATOM 956 CG GLN A 69 -2.044 -10.520 -12.008 1.00 0.00 C ATOM 957 CD GLN A 69 -2.798 -11.072 -10.792 1.00 0.00 C ATOM 958 OE1 GLN A 69 -2.504 -12.157 -10.305 1.00 0.00 O ATOM 959 NE2 GLN A 69 -3.772 -10.379 -10.236 1.00 0.00 N ATOM 0 H GLN A 69 -0.585 -9.538 -9.249 1.00 0.00 H new ATOM 0 HA GLN A 69 0.183 -9.187 -11.321 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.720 -8.474 -11.788 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.541 -8.698 -13.065 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.598 -10.797 -12.905 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.077 -11.021 -12.063 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.037 -9.473 -10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.260 -10.749 -9.421 1.00 0.00 H new ATOM 966 N VAL A 70 0.658 -6.631 -10.369 1.00 0.00 N ATOM 967 CA VAL A 70 1.125 -5.237 -10.264 1.00 0.00 C ATOM 968 C VAL A 70 1.885 -4.746 -11.511 1.00 0.00 C ATOM 969 O VAL A 70 2.689 -5.476 -12.088 1.00 0.00 O ATOM 970 CB VAL A 70 1.969 -5.093 -8.974 1.00 0.00 C ATOM 971 CG1 VAL A 70 2.861 -3.852 -8.919 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.035 -5.079 -7.763 1.00 0.00 C ATOM 0 H VAL A 70 1.040 -7.227 -9.634 1.00 0.00 H new ATOM 0 HA VAL A 70 0.250 -4.589 -10.206 1.00 0.00 H new ATOM 0 HB VAL A 70 2.643 -5.950 -8.968 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.411 -3.841 -7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.565 -3.873 -9.751 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.243 -2.957 -8.989 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.623 -4.978 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.345 -4.239 -7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.470 -6.010 -7.729 1.00 0.00 H new ATOM 982 N LYS A 71 1.644 -3.486 -11.908 1.00 0.00 N ATOM 983 CA LYS A 71 2.210 -2.852 -13.118 1.00 0.00 C ATOM 984 C LYS A 71 3.695 -2.463 -12.966 1.00 0.00 C ATOM 985 O LYS A 71 4.527 -2.821 -13.805 1.00 0.00 O ATOM 986 CB LYS A 71 1.380 -1.608 -13.480 1.00 0.00 C ATOM 987 CG LYS A 71 -0.127 -1.808 -13.717 1.00 0.00 C ATOM 988 CD LYS A 71 -0.494 -2.802 -14.832 1.00 0.00 C ATOM 989 CE LYS A 71 -0.581 -4.243 -14.306 1.00 0.00 C ATOM 990 NZ LYS A 71 -0.970 -5.210 -15.366 1.00 0.00 N ATOM 0 H LYS A 71 1.033 -2.859 -11.384 1.00 0.00 H new ATOM 0 HA LYS A 71 2.163 -3.592 -13.917 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.501 -0.877 -12.680 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.807 -1.168 -14.381 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.582 -2.148 -12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.571 -0.842 -13.955 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.450 -2.518 -15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.251 -2.749 -15.626 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.383 -4.534 -13.889 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.306 -4.287 -13.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.015 -6.168 -14.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.902 -4.951 -15.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.265 -5.189 -16.130 1.00 0.00 H new ATOM 1000 N LEU A 72 4.019 -1.738 -11.891 1.00 0.00 N ATOM 1001 CA LEU A 72 5.377 -1.358 -11.490 1.00 0.00 C ATOM 1002 C LEU A 72 5.535 -1.651 -9.996 1.00 0.00 C ATOM 1003 O LEU A 72 4.629 -1.399 -9.212 1.00 0.00 O ATOM 1004 CB LEU A 72 5.614 0.138 -11.768 1.00 0.00 C ATOM 1005 CG LEU A 72 7.103 0.540 -11.788 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.771 0.114 -13.109 1.00 0.00 C ATOM 1007 CD2 LEU A 72 7.242 2.056 -11.611 1.00 0.00 C ATOM 0 H LEU A 72 3.310 -1.384 -11.248 1.00 0.00 H new ATOM 0 HA LEU A 72 6.109 -1.928 -12.061 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.165 0.395 -12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.099 0.725 -11.008 1.00 0.00 H new ATOM 0 HG LEU A 72 7.601 0.029 -10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.820 0.409 -13.098 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.699 -0.968 -13.221 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.267 0.599 -13.945 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.297 2.329 -11.627 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.723 2.566 -12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.805 2.353 -10.658 1.00 0.00 H new ATOM 1018 N TRP A 73 6.691 -2.171 -9.590 1.00 0.00 N ATOM 1019 CA TRP A 73 6.876 -2.765 -8.262 1.00 0.00 C ATOM 1020 C TRP A 73 6.524 -1.865 -7.049 1.00 0.00 C ATOM 1021 O TRP A 73 5.906 -2.397 -6.121 1.00 0.00 O ATOM 1022 CB TRP A 73 8.313 -3.268 -8.182 1.00 0.00 C ATOM 1023 CG TRP A 73 8.624 -4.042 -6.946 1.00 0.00 C ATOM 1024 CD1 TRP A 73 8.257 -5.314 -6.674 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.354 -3.576 -5.777 1.00 0.00 C ATOM 1026 NE1 TRP A 73 8.732 -5.673 -5.426 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.473 -4.658 -4.856 1.00 0.00 C ATOM 1028 CE3 TRP A 73 9.940 -2.346 -5.426 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.210 -4.546 -3.674 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.652 -2.217 -4.226 1.00 0.00 C ATOM 1031 CH2 TRP A 73 10.833 -3.319 -3.375 1.00 0.00 C ATOM 0 H TRP A 73 7.529 -2.194 -10.171 1.00 0.00 H new ATOM 0 HA TRP A 73 6.149 -3.573 -8.175 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.515 -3.896 -9.050 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.988 -2.414 -8.242 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.682 -5.951 -7.330 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.557 -6.575 -4.983 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.840 -1.496 -6.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.300 -5.386 -3.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.067 -1.258 -3.952 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.449 -3.226 -2.493 1.00 0.00 H new ATOM 1041 N PRO A 74 6.845 -0.548 -7.020 1.00 0.00 N ATOM 1042 CA PRO A 74 6.467 0.327 -5.915 1.00 0.00 C ATOM 1043 C PRO A 74 4.996 0.755 -6.074 1.00 0.00 C ATOM 1044 O PRO A 74 4.685 1.846 -6.563 1.00 0.00 O ATOM 1045 CB PRO A 74 7.450 1.497 -5.963 1.00 0.00 C ATOM 1046 CG PRO A 74 7.699 1.652 -7.463 1.00 0.00 C ATOM 1047 CD PRO A 74 7.649 0.212 -7.971 1.00 0.00 C ATOM 0 HA PRO A 74 6.525 -0.158 -4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.027 2.401 -5.525 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.369 1.279 -5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.939 2.273 -7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.663 2.118 -7.666 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.210 0.170 -8.968 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.653 -0.205 -8.047 1.00 0.00 H new ATOM 1052 N THR A 75 4.093 -0.145 -5.672 1.00 0.00 N ATOM 1053 CA THR A 75 2.635 -0.016 -5.800 1.00 0.00 C ATOM 1054 C THR A 75 1.989 -0.368 -4.476 1.00 0.00 C ATOM 1055 O THR A 75 2.464 -1.229 -3.735 1.00 0.00 O ATOM 1056 CB THR A 75 2.114 -0.936 -6.910 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.466 -0.359 -8.133 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.595 -1.124 -6.973 1.00 0.00 C ATOM 0 H THR A 75 4.368 -1.022 -5.229 1.00 0.00 H new ATOM 0 HA THR A 75 2.383 1.011 -6.065 1.00 0.00 H new ATOM 0 HB THR A 75 2.552 -1.912 -6.699 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.248 -0.821 -8.500 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.345 -1.794 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.242 -1.554 -6.035 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.115 -0.158 -7.132 1.00 0.00 H new ATOM 1066 N PHE A 76 0.861 0.284 -4.215 1.00 0.00 N ATOM 1067 CA PHE A 76 0.014 0.016 -3.067 1.00 0.00 C ATOM 1068 C PHE A 76 -1.457 -0.005 -3.509 1.00 0.00 C ATOM 1069 O PHE A 76 -1.928 0.901 -4.205 1.00 0.00 O ATOM 1070 CB PHE A 76 0.309 1.018 -1.934 1.00 0.00 C ATOM 1071 CG PHE A 76 0.800 2.372 -2.370 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.157 2.557 -2.705 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.111 3.426 -2.483 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.592 3.800 -3.201 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.337 4.672 -2.923 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.675 4.851 -3.309 1.00 0.00 C ATOM 0 H PHE A 76 0.505 1.030 -4.812 1.00 0.00 H new ATOM 0 HA PHE A 76 0.233 -0.969 -2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.600 1.153 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.054 0.579 -1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.861 1.747 -2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.151 3.277 -2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.622 3.941 -3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.350 5.504 -2.967 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.999 5.807 -3.692 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.156 -1.073 -3.123 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.528 -1.400 -3.523 1.00 0.00 C ATOM 1087 C VAL A 77 -4.460 -1.135 -2.349 1.00 0.00 C ATOM 1088 O VAL A 77 -4.270 -1.683 -1.262 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.655 -2.852 -4.030 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.068 -3.114 -4.569 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.644 -3.133 -5.153 1.00 0.00 C ATOM 0 H VAL A 77 -1.762 -1.770 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.811 -0.763 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.453 -3.511 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.138 -4.143 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.796 -2.953 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.275 -2.433 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.754 -4.163 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.828 -2.455 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.632 -2.981 -4.778 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.441 -0.259 -2.559 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.431 0.108 -1.543 1.00 0.00 C ATOM 1103 C PHE A 78 -7.545 -0.947 -1.539 1.00 0.00 C ATOM 1104 O PHE A 78 -8.242 -1.130 -2.543 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.984 1.527 -1.810 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.971 2.667 -1.719 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -5.021 2.840 -2.745 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.917 3.515 -0.588 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -4.035 3.828 -2.645 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.936 4.531 -0.502 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.997 4.679 -1.537 1.00 0.00 C ATOM 0 H PHE A 78 -5.574 0.222 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.965 0.131 -0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.429 1.541 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.787 1.723 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.054 2.204 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.628 3.386 0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.299 3.933 -3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.909 5.189 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.245 5.452 -1.476 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.708 -1.654 -0.417 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.773 -2.627 -0.195 1.00 0.00 C ATOM 1122 C LEU A 79 -9.818 -2.066 0.776 1.00 0.00 C ATOM 1123 O LEU A 79 -9.513 -1.269 1.667 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.236 -3.975 0.341 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.720 -4.932 -0.741 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.486 -4.353 -1.424 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.421 -6.305 -0.131 1.00 0.00 C ATOM 0 H LEU A 79 -7.082 -1.560 0.383 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.235 -2.816 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.429 -3.775 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.030 -4.472 0.898 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.493 -5.056 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.134 -5.046 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.740 -3.400 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.700 -4.199 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.055 -6.976 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.663 -6.201 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.332 -6.716 0.304 1.00 0.00 H new ATOM 1138 N ARG A 80 -11.043 -2.560 0.621 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.198 -2.287 1.486 1.00 0.00 C ATOM 1140 C ARG A 80 -13.307 -3.302 1.178 1.00 0.00 C ATOM 1141 O ARG A 80 -13.512 -3.662 0.019 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.668 -0.831 1.295 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.428 -0.288 2.507 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.658 1.225 2.360 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.303 1.790 3.560 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.277 3.057 3.960 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.615 3.998 3.322 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -14.938 3.408 5.043 1.00 0.00 N ATOM 0 H ARG A 80 -11.273 -3.192 -0.146 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.921 -2.398 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.803 -0.197 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.309 -0.774 0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.385 -0.800 2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.865 -0.490 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.705 1.725 2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.280 1.417 1.486 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.825 1.138 4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.089 3.769 2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.627 4.956 3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.465 2.710 5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.924 4.378 5.357 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.970 -3.808 2.215 1.00 0.00 N ATOM 1160 CA ASP A 81 -15.015 -4.857 2.133 1.00 0.00 C ATOM 1161 C ASP A 81 -14.478 -6.198 1.566 1.00 0.00 C ATOM 1162 O ASP A 81 -15.220 -6.977 0.965 1.00 0.00 O ATOM 1163 CB ASP A 81 -16.245 -4.320 1.365 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.517 -5.152 1.584 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.906 -5.364 2.762 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -18.141 -5.567 0.575 1.00 0.00 O ATOM 0 H ASP A 81 -13.798 -3.498 3.171 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.336 -5.096 3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.435 -3.292 1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.016 -4.296 0.300 1.00 0.00 H new ATOM 1170 N GLY A 82 -13.166 -6.437 1.697 1.00 0.00 N ATOM 1171 CA GLY A 82 -12.463 -7.619 1.178 1.00 0.00 C ATOM 1172 C GLY A 82 -12.053 -7.526 -0.294 1.00 0.00 C ATOM 1173 O GLY A 82 -11.359 -8.413 -0.781 1.00 0.00 O ATOM 0 H GLY A 82 -12.544 -5.791 2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.570 -7.787 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.103 -8.492 1.308 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.461 -6.462 -1.005 1.00 0.00 N ATOM 1178 CA ARG A 83 -12.186 -6.227 -2.421 1.00 0.00 C ATOM 1179 C ARG A 83 -11.172 -5.093 -2.590 1.00 0.00 C ATOM 1180 O ARG A 83 -11.075 -4.197 -1.758 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.484 -5.850 -3.166 1.00 0.00 C ATOM 1182 CG ARG A 83 -14.426 -7.027 -3.448 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.273 -7.383 -2.231 1.00 0.00 C ATOM 1184 NE ARG A 83 -16.304 -8.384 -2.554 1.00 0.00 N ATOM 1185 CZ ARG A 83 -17.119 -8.972 -1.683 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -17.099 -8.692 -0.396 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -17.983 -9.873 -2.107 1.00 0.00 N ATOM 0 H ARG A 83 -13.014 -5.714 -0.586 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.777 -7.146 -2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.021 -5.105 -2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.220 -5.379 -4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.079 -6.777 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.841 -7.896 -3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.629 -7.767 -1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.750 -6.482 -1.844 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.402 -8.650 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.441 -8.001 -0.035 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.741 -9.166 0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -18.023 -10.115 -3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.611 -10.328 -1.445 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.451 -5.103 -3.702 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.714 -3.934 -4.184 1.00 0.00 C ATOM 1200 C GLU A 84 -10.712 -2.847 -4.625 1.00 0.00 C ATOM 1201 O GLU A 84 -11.569 -3.089 -5.476 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.747 -4.342 -5.311 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.189 -3.156 -6.115 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.138 -3.557 -7.164 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.777 -4.751 -7.290 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.649 -2.658 -7.885 1.00 0.00 O ATOM 0 H GLU A 84 -10.358 -5.923 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.104 -3.517 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.915 -4.898 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.263 -5.019 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.013 -2.649 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.745 -2.438 -5.425 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.579 -1.650 -4.049 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.360 -0.445 -4.421 1.00 0.00 C ATOM 1213 C VAL A 85 -10.587 0.492 -5.352 1.00 0.00 C ATOM 1214 O VAL A 85 -11.204 1.242 -6.108 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.857 0.331 -3.178 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.976 -0.463 -2.487 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.763 0.647 -2.144 1.00 0.00 C ATOM 0 H VAL A 85 -9.915 -1.477 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.229 -0.814 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.215 1.289 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.324 0.086 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.805 -0.603 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.594 -1.436 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.200 1.192 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.325 -0.283 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.988 1.257 -2.609 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.251 0.426 -5.325 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.323 1.218 -6.132 1.00 0.00 C ATOM 1229 C ALA A 86 -6.889 0.715 -5.944 1.00 0.00 C ATOM 1230 O ALA A 86 -6.631 -0.141 -5.102 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.411 2.691 -5.693 1.00 0.00 C ATOM 0 H ALA A 86 -8.763 -0.219 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.592 1.123 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.723 3.290 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.428 3.054 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.145 2.773 -4.639 1.00 0.00 H new ATOM 1237 N ARG A 87 -5.946 1.336 -6.650 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.517 1.258 -6.354 1.00 0.00 C ATOM 1239 C ARG A 87 -3.784 2.495 -6.863 1.00 0.00 C ATOM 1240 O ARG A 87 -4.250 3.160 -7.794 1.00 0.00 O ATOM 1241 CB ARG A 87 -3.921 -0.034 -6.908 1.00 0.00 C ATOM 1242 CG ARG A 87 -3.911 -0.147 -8.440 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.148 -1.418 -8.818 1.00 0.00 C ATOM 1244 NE ARG A 87 -3.954 -2.643 -8.653 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.581 -3.876 -8.974 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.408 -4.142 -9.511 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.389 -4.887 -8.758 1.00 0.00 N ATOM 0 H ARG A 87 -6.158 1.919 -7.460 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.388 1.236 -5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.897 -0.127 -6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.480 -0.877 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.930 -0.186 -8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.436 0.728 -8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.818 -1.343 -9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.251 -1.494 -8.203 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.886 -2.532 -8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.748 -3.386 -9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.160 -5.104 -9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.307 -4.727 -8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.100 -5.833 -9.006 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.629 2.779 -6.277 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.707 3.828 -6.738 1.00 0.00 C ATOM 1260 C VAL A 88 -0.373 3.167 -7.092 1.00 0.00 C ATOM 1261 O VAL A 88 0.214 2.460 -6.270 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.536 4.910 -5.649 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.391 5.899 -5.964 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.806 5.744 -5.383 1.00 0.00 C ATOM 0 H VAL A 88 -2.293 2.282 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.106 4.327 -7.621 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.302 4.329 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.317 6.637 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.550 5.354 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.597 6.405 -6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.602 6.480 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.104 6.256 -6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.612 5.086 -5.057 1.00 0.00 H new ATOM 1274 N VAL A 89 0.079 3.387 -8.330 1.00 0.00 N ATOM 1275 CA VAL A 89 1.355 2.899 -8.894 1.00 0.00 C ATOM 1276 C VAL A 89 2.300 4.092 -9.050 1.00 0.00 C ATOM 1277 O VAL A 89 1.912 5.091 -9.649 1.00 0.00 O ATOM 1278 CB VAL A 89 1.136 2.234 -10.281 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.436 1.728 -10.926 1.00 0.00 C ATOM 1280 CG2 VAL A 89 0.111 1.087 -10.254 1.00 0.00 C ATOM 0 H VAL A 89 -0.455 3.936 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 89 1.778 2.152 -8.223 1.00 0.00 H new ATOM 0 HB VAL A 89 0.736 3.042 -10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.211 1.275 -11.892 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.121 2.564 -11.068 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.899 0.986 -10.276 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.007 0.668 -11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.452 0.310 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.853 1.469 -9.919 1.00 0.00 H new ATOM 1290 N ARG A 90 3.534 3.985 -8.530 1.00 0.00 N ATOM 1291 CA ARG A 90 4.614 4.977 -8.677 1.00 0.00 C ATOM 1292 C ARG A 90 4.196 6.402 -8.199 1.00 0.00 C ATOM 1293 O ARG A 90 3.888 7.251 -9.040 1.00 0.00 O ATOM 1294 CB ARG A 90 5.112 4.973 -10.134 1.00 0.00 C ATOM 1295 CG ARG A 90 6.495 5.626 -10.230 1.00 0.00 C ATOM 1296 CD ARG A 90 6.961 5.754 -11.680 1.00 0.00 C ATOM 1297 NE ARG A 90 8.384 6.142 -11.731 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.887 7.343 -12.008 1.00 0.00 C ATOM 1299 NH1 ARG A 90 8.123 8.379 -12.277 1.00 0.00 N ATOM 1300 NH2 ARG A 90 10.193 7.515 -12.011 1.00 0.00 N ATOM 0 H ARG A 90 3.818 3.177 -7.976 1.00 0.00 H new ATOM 0 HA ARG A 90 5.436 4.689 -8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.160 3.949 -10.505 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.405 5.509 -10.768 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.464 6.613 -9.769 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.217 5.034 -9.667 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.817 4.807 -12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.356 6.498 -12.199 1.00 0.00 H new ATOM 0 HE ARG A 90 9.060 5.405 -11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.108 8.278 -12.278 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.545 9.284 -12.485 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.811 6.731 -11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.586 8.432 -12.222 1.00 0.00 H new ATOM 1311 N PRO A 91 4.150 6.690 -6.882 1.00 0.00 N ATOM 1312 CA PRO A 91 3.734 7.997 -6.364 1.00 0.00 C ATOM 1313 C PRO A 91 4.674 9.111 -6.851 1.00 0.00 C ATOM 1314 O PRO A 91 5.893 9.008 -6.702 1.00 0.00 O ATOM 1315 CB PRO A 91 3.757 7.888 -4.842 1.00 0.00 C ATOM 1316 CG PRO A 91 4.714 6.724 -4.576 1.00 0.00 C ATOM 1317 CD PRO A 91 4.517 5.809 -5.781 1.00 0.00 C ATOM 0 HA PRO A 91 2.738 8.257 -6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 91 4.110 8.810 -4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.764 7.690 -4.440 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.746 7.065 -4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.474 6.214 -3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.429 5.256 -6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.737 5.072 -5.591 1.00 0.00 H new ATOM 1322 N GLY A 92 4.109 10.181 -7.428 1.00 0.00 N ATOM 1323 CA GLY A 92 4.865 11.312 -7.985 1.00 0.00 C ATOM 1324 C GLY A 92 5.098 12.462 -6.994 1.00 0.00 C ATOM 1325 O GLY A 92 6.121 13.142 -7.068 1.00 0.00 O ATOM 0 H GLY A 92 3.099 10.287 -7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.831 10.950 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.332 11.698 -8.854 1.00 0.00 H new ATOM 1329 N SER A 93 4.157 12.675 -6.074 1.00 0.00 N ATOM 1330 CA SER A 93 4.118 13.740 -5.058 1.00 0.00 C ATOM 1331 C SER A 93 2.896 13.547 -4.149 1.00 0.00 C ATOM 1332 O SER A 93 1.898 12.953 -4.573 1.00 0.00 O ATOM 1333 CB SER A 93 4.044 15.132 -5.712 1.00 0.00 C ATOM 1334 OG SER A 93 5.324 15.650 -6.046 1.00 0.00 O ATOM 0 H SER A 93 3.341 12.067 -6.010 1.00 0.00 H new ATOM 0 HA SER A 93 5.035 13.678 -4.472 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.434 15.073 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.543 15.822 -5.033 1.00 0.00 H new ATOM 0 HG SER A 93 5.867 14.943 -6.452 1.00 0.00 H new ATOM 1339 N ALA A 94 2.932 14.068 -2.914 1.00 0.00 N ATOM 1340 CA ALA A 94 1.843 13.933 -1.935 1.00 0.00 C ATOM 1341 C ALA A 94 0.487 14.376 -2.490 1.00 0.00 C ATOM 1342 O ALA A 94 -0.505 13.706 -2.255 1.00 0.00 O ATOM 1343 CB ALA A 94 2.229 14.681 -0.652 1.00 0.00 C ATOM 0 H ALA A 94 3.727 14.601 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 94 1.714 12.876 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.427 14.586 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.145 14.254 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.390 15.735 -0.880 1.00 0.00 H new ATOM 1349 N SER A 95 0.443 15.392 -3.348 1.00 0.00 N ATOM 1350 CA SER A 95 -0.785 15.837 -4.026 1.00 0.00 C ATOM 1351 C SER A 95 -1.479 14.741 -4.865 1.00 0.00 C ATOM 1352 O SER A 95 -2.693 14.798 -5.054 1.00 0.00 O ATOM 1353 CB SER A 95 -0.447 17.027 -4.948 1.00 0.00 C ATOM 1354 OG SER A 95 0.327 18.026 -4.286 1.00 0.00 O ATOM 0 H SER A 95 1.266 15.940 -3.599 1.00 0.00 H new ATOM 0 HA SER A 95 -1.485 16.116 -3.238 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.100 16.665 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.372 17.472 -5.316 1.00 0.00 H new ATOM 0 HG SER A 95 0.518 18.758 -4.909 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.748 13.724 -5.340 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.295 12.569 -6.092 1.00 0.00 C ATOM 1361 C VAL A 96 -1.670 11.432 -5.136 1.00 0.00 C ATOM 1362 O VAL A 96 -2.702 10.783 -5.320 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.268 12.070 -7.140 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.801 10.880 -7.948 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.135 13.193 -8.118 1.00 0.00 C ATOM 0 H VAL A 96 0.263 13.673 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.195 12.895 -6.613 1.00 0.00 H new ATOM 0 HB VAL A 96 0.607 11.750 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.048 10.564 -8.670 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.026 10.054 -7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.708 11.175 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.856 12.807 -8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.749 13.551 -8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.583 14.016 -7.562 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.861 11.195 -4.098 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.132 10.152 -3.101 1.00 0.00 C ATOM 1377 C LEU A 97 -2.344 10.520 -2.223 1.00 0.00 C ATOM 1378 O LEU A 97 -3.283 9.735 -2.116 1.00 0.00 O ATOM 1379 CB LEU A 97 0.157 9.891 -2.284 1.00 0.00 C ATOM 1380 CG LEU A 97 0.541 8.396 -2.289 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.858 8.166 -1.563 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.598 7.600 -1.649 1.00 0.00 C ATOM 0 H LEU A 97 -0.003 11.718 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.407 9.222 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.976 10.479 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.012 10.226 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 97 0.687 8.057 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.103 7.104 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.649 8.730 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.766 8.498 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.343 6.540 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.750 7.941 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.513 7.751 -2.221 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.369 11.735 -1.670 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.494 12.297 -0.912 1.00 0.00 C ATOM 1395 C GLU A 98 -4.807 12.312 -1.718 1.00 0.00 C ATOM 1396 O GLU A 98 -5.866 12.017 -1.161 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.173 13.736 -0.467 1.00 0.00 C ATOM 1398 CG GLU A 98 -2.041 13.851 0.567 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.874 15.313 1.018 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -1.185 16.094 0.322 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.426 15.693 2.079 1.00 0.00 O ATOM 0 H GLU A 98 -1.580 12.378 -1.739 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.635 11.650 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.905 14.322 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.075 14.182 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.261 13.221 1.429 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.108 13.488 0.136 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.749 12.626 -3.023 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.906 12.621 -3.931 1.00 0.00 C ATOM 1408 C GLU A 99 -6.562 11.236 -4.032 1.00 0.00 C ATOM 1409 O GLU A 99 -7.779 11.131 -4.177 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.467 13.092 -5.326 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.525 12.893 -6.422 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.210 13.747 -7.664 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.610 14.935 -7.710 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.569 13.234 -8.614 1.00 0.00 O ATOM 0 H GLU A 99 -3.880 12.895 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.650 13.303 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.208 14.150 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.562 12.556 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.568 11.841 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.508 13.160 -6.034 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.777 10.167 -3.953 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.319 8.815 -3.880 1.00 0.00 C ATOM 1421 C ALA A 100 -6.810 8.478 -2.465 1.00 0.00 C ATOM 1422 O ALA A 100 -7.922 7.981 -2.308 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.244 7.855 -4.384 1.00 0.00 C ATOM 0 H ALA A 100 -4.758 10.211 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.202 8.723 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.620 6.833 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.987 8.105 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.356 7.941 -3.757 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.038 8.806 -1.426 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.413 8.515 -0.039 1.00 0.00 C ATOM 1431 C PHE A 101 -7.782 9.096 0.318 1.00 0.00 C ATOM 1432 O PHE A 101 -8.654 8.360 0.779 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.339 9.028 0.914 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.350 7.966 1.354 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.380 7.456 0.465 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.404 7.480 2.676 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.459 6.505 0.915 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.476 6.523 3.121 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.496 6.049 2.238 1.00 0.00 C ATOM 0 H PHE A 101 -5.139 9.279 -1.521 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.490 7.433 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.795 9.839 0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.821 9.449 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.349 7.799 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.163 7.845 3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.713 6.119 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.518 6.156 4.136 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.767 5.329 2.580 1.00 0.00 H new ATOM 1448 N GLU A 102 -8.011 10.382 0.045 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.296 11.029 0.299 1.00 0.00 C ATOM 1450 C GLU A 102 -10.461 10.385 -0.457 1.00 0.00 C ATOM 1451 O GLU A 102 -11.588 10.311 0.042 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.229 12.520 -0.047 1.00 0.00 C ATOM 1453 CG GLU A 102 -9.062 12.878 -1.531 1.00 0.00 C ATOM 1454 CD GLU A 102 -10.394 13.007 -2.297 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -11.391 13.483 -1.713 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.453 12.664 -3.503 1.00 0.00 O ATOM 0 H GLU A 102 -7.309 11.003 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.489 10.898 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.140 12.995 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.398 12.960 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.517 13.819 -1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.450 12.115 -2.012 1.00 0.00 H new ATOM 1461 N SER A 103 -10.177 9.879 -1.657 1.00 0.00 N ATOM 1462 CA SER A 103 -11.167 9.236 -2.517 1.00 0.00 C ATOM 1463 C SER A 103 -11.534 7.819 -2.055 1.00 0.00 C ATOM 1464 O SER A 103 -12.645 7.357 -2.329 1.00 0.00 O ATOM 1465 CB SER A 103 -10.633 9.222 -3.956 1.00 0.00 C ATOM 1466 OG SER A 103 -11.045 10.371 -4.680 1.00 0.00 O ATOM 0 H SER A 103 -9.242 9.905 -2.063 1.00 0.00 H new ATOM 0 HA SER A 103 -12.090 9.813 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.544 9.173 -3.940 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.985 8.325 -4.466 1.00 0.00 H new ATOM 0 HG SER A 103 -10.971 11.163 -4.107 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.635 7.132 -1.330 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.858 5.761 -0.846 1.00 0.00 C ATOM 1473 C LEU A 104 -11.216 5.705 0.645 1.00 0.00 C ATOM 1474 O LEU A 104 -11.914 4.777 1.064 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.633 4.874 -1.154 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.513 4.393 -2.619 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.861 3.944 -3.214 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.870 5.427 -3.557 1.00 0.00 C ATOM 0 H LEU A 104 -9.728 7.515 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.722 5.371 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.731 5.428 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.666 4.000 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.848 3.532 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.714 3.617 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.262 3.119 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.563 4.778 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.819 5.020 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.471 6.337 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.864 5.659 -3.208 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.809 6.705 1.430 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.262 6.891 2.816 1.00 0.00 C ATOM 1491 C VAL A 105 -12.743 7.312 2.862 1.00 0.00 C ATOM 1492 O VAL A 105 -13.452 6.967 3.809 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.353 7.910 3.551 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.794 9.366 3.366 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.262 7.604 5.045 1.00 0.00 C ATOM 0 H VAL A 105 -10.148 7.418 1.121 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.182 5.937 3.337 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.372 7.798 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.114 10.024 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.777 9.619 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.805 9.492 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.617 8.338 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.257 7.649 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.847 6.606 5.187 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.206 8.027 1.822 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.568 8.551 1.689 1.00 0.00 C ATOM 1507 C GLY A 106 -14.743 9.974 2.239 1.00 0.00 C ATOM 1508 O GLY A 106 -15.853 10.333 2.633 1.00 0.00 O ATOM 0 H GLY A 106 -12.616 8.262 1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.849 8.542 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.256 7.884 2.209 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.679 10.786 2.262 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.720 12.169 2.770 1.00 0.00 C ATOM 1514 C GLU A 107 -14.332 13.162 1.770 1.00 0.00 C ATOM 1515 O GLU A 107 -15.000 14.116 2.173 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.318 12.638 3.208 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.076 12.458 4.715 1.00 0.00 C ATOM 1518 CD GLU A 107 -12.905 13.441 5.560 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -12.538 14.635 5.638 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -13.923 13.021 6.166 1.00 0.00 O ATOM 0 H GLU A 107 -12.758 10.503 1.927 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.378 12.154 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.563 12.080 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.193 13.689 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.325 11.436 5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.017 12.600 4.930 1.00 0.00 H new ATOM 1525 N GLY A 108 -14.143 12.925 0.465 1.00 0.00 N ATOM 1526 CA GLY A 108 -14.827 13.667 -0.602 1.00 0.00 C ATOM 1527 C GLY A 108 -14.370 15.120 -0.728 1.00 0.00 C ATOM 1528 O GLY A 108 -15.180 16.014 -0.979 1.00 0.00 O ATOM 0 H GLY A 108 -13.506 12.208 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.659 13.159 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -15.901 13.648 -0.416 1.00 0.00 H new