USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=16 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 170:sc= 0.646 USER MOD Set 1.2: A 33 HIS : no HD1:sc= -0.0222 X(o=0.62,f=0.62) USER MOD Set 2.1: A 5 TYR OH : rot 88:sc= 0.084 USER MOD Set 2.2: A 34 CYS SG : rot 60:sc= 0.236 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0913 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 148:sc= 0.427 USER MOD Single : A 35 GLN : amide:sc= 0.224 X(o=0.22,f=-0.068) USER MOD Single : A 38 GLN : amide:sc= 0.808 K(o=0.81,f=-0.17) USER MOD Single : A 46 SER OG : rot 77:sc= 0.707 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0298 USER MOD Single : A 53 HIS : no HE2:sc= -0.118 K(o=-0.12,f=-1.4) USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0.934 (180deg=0.931) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.13) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0.556 (180deg=0.556) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.120 -2.562 6.638 1.00 0.00 N ATOM 70 CA TYR A 5 8.408 -3.615 5.899 1.00 0.00 C ATOM 71 C TYR A 5 8.425 -4.980 6.611 1.00 0.00 C ATOM 72 O TYR A 5 9.202 -5.195 7.542 1.00 0.00 O ATOM 73 CB TYR A 5 9.032 -3.730 4.495 1.00 0.00 C ATOM 74 CG TYR A 5 8.526 -2.703 3.503 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.787 -1.332 3.683 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.715 -3.125 2.433 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.264 -0.389 2.777 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.195 -2.189 1.518 1.00 0.00 C ATOM 79 CZ TYR A 5 7.504 -0.817 1.669 1.00 0.00 C ATOM 80 OH TYR A 5 7.080 0.103 0.759 1.00 0.00 O ATOM 0 HA TYR A 5 7.358 -3.329 5.836 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.114 -3.632 4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.833 -4.727 4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.389 -1.002 4.517 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.490 -4.174 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.445 0.664 2.931 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.564 -2.517 0.705 1.00 0.00 H new ATOM 0 HH TYR A 5 7.766 0.221 0.069 1.00 0.00 H new ATOM 89 N SER A 6 7.596 -5.925 6.156 1.00 0.00 N ATOM 90 CA SER A 6 7.623 -7.315 6.628 1.00 0.00 C ATOM 91 C SER A 6 7.398 -8.356 5.524 1.00 0.00 C ATOM 92 O SER A 6 6.516 -8.212 4.677 1.00 0.00 O ATOM 93 CB SER A 6 6.549 -7.516 7.699 1.00 0.00 C ATOM 94 OG SER A 6 6.652 -8.820 8.263 1.00 0.00 O ATOM 0 H SER A 6 6.884 -5.748 5.447 1.00 0.00 H new ATOM 0 HA SER A 6 8.627 -7.473 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.660 -6.764 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.560 -7.378 7.262 1.00 0.00 H new ATOM 0 HG SER A 6 5.961 -8.936 8.948 1.00 0.00 H new ATOM 99 N ALA A 7 8.168 -9.449 5.554 1.00 0.00 N ATOM 100 CA ALA A 7 7.982 -10.597 4.659 1.00 0.00 C ATOM 101 C ALA A 7 6.866 -11.553 5.132 1.00 0.00 C ATOM 102 O ALA A 7 6.426 -12.410 4.364 1.00 0.00 O ATOM 103 CB ALA A 7 9.323 -11.330 4.543 1.00 0.00 C ATOM 0 H ALA A 7 8.944 -9.563 6.206 1.00 0.00 H new ATOM 0 HA ALA A 7 7.659 -10.231 3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.212 -12.189 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.074 -10.653 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.639 -11.670 5.530 1.00 0.00 H new ATOM 109 N GLU A 8 6.398 -11.419 6.381 1.00 0.00 N ATOM 110 CA GLU A 8 5.444 -12.327 7.034 1.00 0.00 C ATOM 111 C GLU A 8 3.976 -11.972 6.706 1.00 0.00 C ATOM 112 O GLU A 8 3.088 -12.049 7.561 1.00 0.00 O ATOM 113 CB GLU A 8 5.706 -12.363 8.557 1.00 0.00 C ATOM 114 CG GLU A 8 7.130 -12.812 8.906 1.00 0.00 C ATOM 115 CD GLU A 8 7.291 -13.006 10.423 1.00 0.00 C ATOM 116 OE1 GLU A 8 7.045 -14.133 10.924 1.00 0.00 O ATOM 117 OE2 GLU A 8 7.668 -12.037 11.131 1.00 0.00 O ATOM 0 H GLU A 8 6.683 -10.649 6.986 1.00 0.00 H new ATOM 0 HA GLU A 8 5.604 -13.328 6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.530 -11.372 8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.992 -13.038 9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.357 -13.745 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.846 -12.070 8.553 1.00 0.00 H new ATOM 122 N ALA A 9 3.704 -11.542 5.466 1.00 0.00 N ATOM 123 CA ALA A 9 2.376 -11.130 5.020 1.00 0.00 C ATOM 124 C ALA A 9 1.383 -12.314 4.888 1.00 0.00 C ATOM 125 O ALA A 9 1.808 -13.450 4.648 1.00 0.00 O ATOM 126 CB ALA A 9 2.501 -10.370 3.692 1.00 0.00 C ATOM 0 H ALA A 9 4.415 -11.472 4.738 1.00 0.00 H new ATOM 0 HA ALA A 9 1.959 -10.476 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.512 -10.061 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.128 -9.490 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.953 -11.020 2.942 1.00 0.00 H new ATOM 132 N PRO A 10 0.064 -12.043 4.996 1.00 0.00 N ATOM 133 CA PRO A 10 -0.999 -13.012 4.754 1.00 0.00 C ATOM 134 C PRO A 10 -1.102 -13.396 3.271 1.00 0.00 C ATOM 135 O PRO A 10 -0.553 -12.729 2.397 1.00 0.00 O ATOM 136 CB PRO A 10 -2.283 -12.319 5.234 1.00 0.00 C ATOM 137 CG PRO A 10 -1.985 -10.843 4.982 1.00 0.00 C ATOM 138 CD PRO A 10 -0.516 -10.757 5.365 1.00 0.00 C ATOM 0 HA PRO A 10 -0.811 -13.947 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.157 -12.656 4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.480 -12.518 6.287 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.154 -10.563 3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.607 -10.189 5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.022 -9.940 4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.400 -10.567 6.432 1.00 0.00 H new ATOM 143 N ALA A 11 -1.856 -14.458 2.981 1.00 0.00 N ATOM 144 CA ALA A 11 -2.206 -14.862 1.619 1.00 0.00 C ATOM 145 C ALA A 11 -3.395 -14.049 1.072 1.00 0.00 C ATOM 146 O ALA A 11 -4.286 -13.657 1.830 1.00 0.00 O ATOM 147 CB ALA A 11 -2.509 -16.369 1.632 1.00 0.00 C ATOM 0 H ALA A 11 -2.246 -15.071 3.697 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.370 -14.660 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.773 -16.696 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.628 -16.914 1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.341 -16.567 2.308 1.00 0.00 H new ATOM 153 N ARG A 12 -3.461 -13.864 -0.255 1.00 0.00 N ATOM 154 CA ARG A 12 -4.504 -13.076 -0.943 1.00 0.00 C ATOM 155 C ARG A 12 -5.924 -13.589 -0.651 1.00 0.00 C ATOM 156 O ARG A 12 -6.858 -12.803 -0.564 1.00 0.00 O ATOM 157 CB ARG A 12 -4.231 -13.037 -2.461 1.00 0.00 C ATOM 158 CG ARG A 12 -4.290 -11.634 -3.092 1.00 0.00 C ATOM 159 CD ARG A 12 -5.606 -10.858 -2.916 1.00 0.00 C ATOM 160 NE ARG A 12 -6.740 -11.531 -3.568 1.00 0.00 N ATOM 161 CZ ARG A 12 -8.030 -11.344 -3.288 1.00 0.00 C ATOM 162 NH1 ARG A 12 -8.452 -10.495 -2.379 1.00 0.00 N ATOM 163 NH2 ARG A 12 -8.954 -12.021 -3.927 1.00 0.00 N ATOM 0 H ARG A 12 -2.777 -14.265 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.455 -12.062 -0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.246 -13.464 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.957 -13.677 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.482 -11.036 -2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.091 -11.731 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.817 -10.741 -1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.493 -9.856 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.519 -12.203 -4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.780 -9.940 -1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.451 -10.390 -2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.688 -12.696 -4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.939 -11.872 -3.707 1.00 0.00 H new ATOM 174 N ASP A 13 -6.072 -14.899 -0.448 1.00 0.00 N ATOM 175 CA ASP A 13 -7.329 -15.562 -0.078 1.00 0.00 C ATOM 176 C ASP A 13 -7.876 -15.097 1.282 1.00 0.00 C ATOM 177 O ASP A 13 -9.070 -14.817 1.396 1.00 0.00 O ATOM 178 CB ASP A 13 -7.060 -17.070 -0.060 1.00 0.00 C ATOM 179 CG ASP A 13 -8.321 -17.905 0.200 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.240 -17.886 -0.648 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.391 -18.573 1.259 1.00 0.00 O ATOM 0 H ASP A 13 -5.294 -15.553 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.095 -15.301 -0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.626 -17.367 -1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.320 -17.292 0.709 1.00 0.00 H new ATOM 185 N GLU A 14 -7.003 -14.945 2.287 1.00 0.00 N ATOM 186 CA GLU A 14 -7.370 -14.402 3.602 1.00 0.00 C ATOM 187 C GLU A 14 -7.576 -12.876 3.554 1.00 0.00 C ATOM 188 O GLU A 14 -8.461 -12.330 4.215 1.00 0.00 O ATOM 189 CB GLU A 14 -6.310 -14.794 4.642 1.00 0.00 C ATOM 190 CG GLU A 14 -6.837 -14.706 6.078 1.00 0.00 C ATOM 191 CD GLU A 14 -7.984 -15.692 6.324 1.00 0.00 C ATOM 192 OE1 GLU A 14 -7.755 -16.922 6.264 1.00 0.00 O ATOM 193 OE2 GLU A 14 -9.142 -15.258 6.513 1.00 0.00 O ATOM 0 H GLU A 14 -6.017 -15.197 2.210 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.326 -14.835 3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.970 -15.811 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.443 -14.142 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.025 -14.911 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.181 -13.691 6.278 1.00 0.00 H new ATOM 198 N LEU A 15 -6.812 -12.198 2.694 1.00 0.00 N ATOM 199 CA LEU A 15 -6.941 -10.779 2.381 1.00 0.00 C ATOM 200 C LEU A 15 -8.271 -10.444 1.671 1.00 0.00 C ATOM 201 O LEU A 15 -8.674 -9.284 1.656 1.00 0.00 O ATOM 202 CB LEU A 15 -5.699 -10.363 1.562 1.00 0.00 C ATOM 203 CG LEU A 15 -4.915 -9.182 2.164 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.464 -9.196 1.657 1.00 0.00 C ATOM 205 CD2 LEU A 15 -5.543 -7.843 1.807 1.00 0.00 C ATOM 0 H LEU A 15 -6.055 -12.645 2.176 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.978 -10.200 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.032 -11.220 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.015 -10.099 0.553 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.940 -9.300 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.919 -8.357 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.985 -10.130 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.457 -9.112 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.959 -7.037 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.558 -7.725 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.563 -7.806 2.190 1.00 0.00 H new ATOM 216 N ASP A 16 -8.996 -11.439 1.144 1.00 0.00 N ATOM 217 CA ASP A 16 -10.313 -11.251 0.527 1.00 0.00 C ATOM 218 C ASP A 16 -11.445 -11.146 1.563 1.00 0.00 C ATOM 219 O ASP A 16 -12.550 -10.697 1.253 1.00 0.00 O ATOM 220 CB ASP A 16 -10.589 -12.430 -0.423 1.00 0.00 C ATOM 221 CG ASP A 16 -11.609 -12.069 -1.507 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.243 -11.284 -2.414 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.744 -12.602 -1.477 1.00 0.00 O ATOM 0 H ASP A 16 -8.680 -12.409 1.135 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.293 -10.307 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.656 -12.743 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.957 -13.280 0.152 1.00 0.00 H new ATOM 227 N ARG A 17 -11.166 -11.588 2.797 1.00 0.00 N ATOM 228 CA ARG A 17 -12.131 -11.736 3.889 1.00 0.00 C ATOM 229 C ARG A 17 -12.073 -10.613 4.929 1.00 0.00 C ATOM 230 O ARG A 17 -12.899 -10.589 5.848 1.00 0.00 O ATOM 231 CB ARG A 17 -11.881 -13.098 4.544 1.00 0.00 C ATOM 232 CG ARG A 17 -12.149 -14.228 3.534 1.00 0.00 C ATOM 233 CD ARG A 17 -12.140 -15.613 4.175 1.00 0.00 C ATOM 234 NE ARG A 17 -10.790 -16.168 4.361 1.00 0.00 N ATOM 235 CZ ARG A 17 -10.192 -17.030 3.544 1.00 0.00 C ATOM 236 NH1 ARG A 17 -10.713 -17.394 2.393 1.00 0.00 N ATOM 237 NH2 ARG A 17 -9.036 -17.565 3.853 1.00 0.00 N ATOM 0 H ARG A 17 -10.222 -11.863 3.070 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.134 -11.672 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.853 -13.155 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.527 -13.216 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.115 -14.060 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.395 -14.192 2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.638 -15.559 5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.722 -16.295 3.555 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.270 -15.867 5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.611 -17.012 2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.219 -18.059 1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.580 -17.322 4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.592 -18.224 3.214 1.00 0.00 H new ATOM 248 N LEU A 18 -11.115 -9.684 4.803 1.00 0.00 N ATOM 249 CA LEU A 18 -10.996 -8.491 5.655 1.00 0.00 C ATOM 250 C LEU A 18 -12.219 -7.568 5.580 1.00 0.00 C ATOM 251 O LEU A 18 -13.067 -7.698 4.693 1.00 0.00 O ATOM 252 CB LEU A 18 -9.649 -7.768 5.397 1.00 0.00 C ATOM 253 CG LEU A 18 -9.472 -6.852 4.159 1.00 0.00 C ATOM 254 CD1 LEU A 18 -10.339 -5.579 4.115 1.00 0.00 C ATOM 255 CD2 LEU A 18 -8.029 -6.337 4.167 1.00 0.00 C ATOM 0 H LEU A 18 -10.386 -9.741 4.092 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.984 -8.826 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.435 -7.163 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.877 -8.536 5.342 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.761 -7.476 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.124 -5.024 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.393 -5.856 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.114 -4.956 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.870 -5.687 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.848 -5.776 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.341 -7.181 4.116 1.00 0.00 H new ATOM 266 N ALA A 19 -12.279 -6.591 6.484 1.00 0.00 N ATOM 267 CA ALA A 19 -13.246 -5.495 6.442 1.00 0.00 C ATOM 268 C ALA A 19 -12.653 -4.197 7.022 1.00 0.00 C ATOM 269 O ALA A 19 -11.897 -4.218 7.995 1.00 0.00 O ATOM 270 CB ALA A 19 -14.523 -5.923 7.163 1.00 0.00 C ATOM 0 H ALA A 19 -11.645 -6.538 7.281 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.495 -5.274 5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.247 -5.109 7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.943 -6.800 6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.291 -6.166 8.200 1.00 0.00 H new ATOM 276 N GLY A 20 -13.005 -3.073 6.393 1.00 0.00 N ATOM 277 CA GLY A 20 -12.468 -1.726 6.651 1.00 0.00 C ATOM 278 C GLY A 20 -11.446 -1.300 5.582 1.00 0.00 C ATOM 279 O GLY A 20 -10.908 -2.171 4.892 1.00 0.00 O ATOM 0 H GLY A 20 -13.707 -3.073 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.287 -1.008 6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.996 -1.706 7.633 1.00 0.00 H new ATOM 283 N PRO A 21 -11.184 0.013 5.413 1.00 0.00 N ATOM 284 CA PRO A 21 -10.237 0.507 4.418 1.00 0.00 C ATOM 285 C PRO A 21 -8.811 0.086 4.810 1.00 0.00 C ATOM 286 O PRO A 21 -8.343 0.396 5.903 1.00 0.00 O ATOM 287 CB PRO A 21 -10.422 2.031 4.387 1.00 0.00 C ATOM 288 CG PRO A 21 -10.944 2.358 5.789 1.00 0.00 C ATOM 289 CD PRO A 21 -11.772 1.128 6.146 1.00 0.00 C ATOM 0 HA PRO A 21 -10.409 0.094 3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.484 2.545 4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.129 2.334 3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.129 2.514 6.496 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.548 3.265 5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.750 0.942 7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.817 1.268 5.868 1.00 0.00 H new ATOM 294 N THR A 22 -8.135 -0.651 3.917 1.00 0.00 N ATOM 295 CA THR A 22 -6.807 -1.245 4.149 1.00 0.00 C ATOM 296 C THR A 22 -5.959 -1.113 2.894 1.00 0.00 C ATOM 297 O THR A 22 -6.332 -1.600 1.831 1.00 0.00 O ATOM 298 CB THR A 22 -6.919 -2.727 4.542 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.693 -2.849 5.713 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.556 -3.351 4.849 1.00 0.00 C ATOM 0 H THR A 22 -8.505 -0.857 2.989 1.00 0.00 H new ATOM 0 HA THR A 22 -6.335 -0.708 4.972 1.00 0.00 H new ATOM 0 HB THR A 22 -7.372 -3.240 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.765 -3.794 5.961 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.688 -4.398 5.121 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.918 -3.283 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.089 -2.817 5.677 1.00 0.00 H new ATOM 308 N LEU A 23 -4.789 -0.498 3.024 1.00 0.00 N ATOM 309 CA LEU A 23 -3.813 -0.354 1.953 1.00 0.00 C ATOM 310 C LEU A 23 -2.765 -1.473 2.035 1.00 0.00 C ATOM 311 O LEU A 23 -2.147 -1.664 3.081 1.00 0.00 O ATOM 312 CB LEU A 23 -3.202 1.061 2.071 1.00 0.00 C ATOM 313 CG LEU A 23 -2.265 1.437 0.907 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.955 1.236 -0.434 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.778 2.870 1.070 1.00 0.00 C ATOM 0 H LEU A 23 -4.486 -0.075 3.901 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.276 -0.453 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.010 1.791 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.648 1.130 3.007 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.398 0.776 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.272 1.508 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.244 0.190 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.844 1.865 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.116 3.126 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.633 3.547 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.236 2.965 2.011 1.00 0.00 H new ATOM 326 N VAL A 24 -2.530 -2.187 0.931 1.00 0.00 N ATOM 327 CA VAL A 24 -1.462 -3.200 0.812 1.00 0.00 C ATOM 328 C VAL A 24 -0.350 -2.657 -0.082 1.00 0.00 C ATOM 329 O VAL A 24 -0.592 -2.380 -1.254 1.00 0.00 O ATOM 330 CB VAL A 24 -1.985 -4.547 0.260 1.00 0.00 C ATOM 331 CG1 VAL A 24 -0.890 -5.624 0.352 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.219 -5.043 1.028 1.00 0.00 C ATOM 0 H VAL A 24 -3.081 -2.081 0.079 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.076 -3.398 1.812 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.264 -4.375 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.273 -6.566 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.024 -5.313 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.597 -5.757 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.553 -5.991 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.962 -5.182 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.019 -4.308 0.945 1.00 0.00 H new ATOM 342 N GLU A 25 0.840 -2.493 0.486 1.00 0.00 N ATOM 343 CA GLU A 25 2.023 -1.840 -0.082 1.00 0.00 C ATOM 344 C GLU A 25 3.114 -2.869 -0.408 1.00 0.00 C ATOM 345 O GLU A 25 3.520 -3.640 0.461 1.00 0.00 O ATOM 346 CB GLU A 25 2.484 -0.790 0.947 1.00 0.00 C ATOM 347 CG GLU A 25 3.921 -0.269 0.858 1.00 0.00 C ATOM 348 CD GLU A 25 4.133 0.681 -0.321 1.00 0.00 C ATOM 349 OE1 GLU A 25 3.924 1.903 -0.146 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.552 0.206 -1.398 1.00 0.00 O ATOM 0 H GLU A 25 1.021 -2.839 1.429 1.00 0.00 H new ATOM 0 HA GLU A 25 1.795 -1.352 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.814 0.067 0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.345 -1.215 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.174 0.246 1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.604 -1.113 0.766 1.00 0.00 H new ATOM 355 N PHE A 26 3.606 -2.862 -1.650 1.00 0.00 N ATOM 356 CA PHE A 26 4.612 -3.786 -2.173 1.00 0.00 C ATOM 357 C PHE A 26 5.945 -3.069 -2.416 1.00 0.00 C ATOM 358 O PHE A 26 6.024 -2.091 -3.168 1.00 0.00 O ATOM 359 CB PHE A 26 4.079 -4.420 -3.464 1.00 0.00 C ATOM 360 CG PHE A 26 2.779 -5.175 -3.260 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.797 -6.445 -2.647 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.547 -4.581 -3.597 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.589 -7.102 -2.365 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.343 -5.245 -3.322 1.00 0.00 C ATOM 365 CZ PHE A 26 0.368 -6.498 -2.693 1.00 0.00 C ATOM 0 H PHE A 26 3.300 -2.183 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 26 4.801 -4.569 -1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.927 -3.640 -4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.830 -5.101 -3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.738 -6.911 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.530 -3.610 -4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.601 -8.074 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.600 -4.793 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.559 -7.000 -2.460 1.00 0.00 H new ATOM 374 N GLY A 27 7.016 -3.589 -1.807 1.00 0.00 N ATOM 375 CA GLY A 27 8.348 -2.982 -1.841 1.00 0.00 C ATOM 376 C GLY A 27 9.315 -3.634 -0.860 1.00 0.00 C ATOM 377 O GLY A 27 9.171 -4.821 -0.572 1.00 0.00 O ATOM 0 H GLY A 27 6.980 -4.455 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.753 -3.060 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.265 -1.920 -1.612 1.00 0.00 H new ATOM 381 N THR A 28 10.267 -2.864 -0.327 1.00 0.00 N ATOM 382 CA THR A 28 11.204 -3.259 0.747 1.00 0.00 C ATOM 383 C THR A 28 11.544 -2.039 1.599 1.00 0.00 C ATOM 384 O THR A 28 11.120 -0.926 1.293 1.00 0.00 O ATOM 385 CB THR A 28 12.485 -3.914 0.196 1.00 0.00 C ATOM 386 OG1 THR A 28 13.164 -2.990 -0.623 1.00 0.00 O ATOM 387 CG2 THR A 28 12.223 -5.206 -0.588 1.00 0.00 C ATOM 0 H THR A 28 10.419 -1.905 -0.640 1.00 0.00 H new ATOM 0 HA THR A 28 10.711 -4.011 1.363 1.00 0.00 H new ATOM 0 HB THR A 28 13.094 -4.193 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.130 -3.142 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.169 -5.612 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.738 -5.934 0.062 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.575 -4.991 -1.438 1.00 0.00 H new ATOM 395 N ASP A 29 12.324 -2.213 2.669 1.00 0.00 N ATOM 396 CA ASP A 29 12.790 -1.097 3.499 1.00 0.00 C ATOM 397 C ASP A 29 14.087 -0.457 2.952 1.00 0.00 C ATOM 398 O ASP A 29 14.692 0.383 3.620 1.00 0.00 O ATOM 399 CB ASP A 29 12.932 -1.586 4.954 1.00 0.00 C ATOM 400 CG ASP A 29 13.100 -0.436 5.967 1.00 0.00 C ATOM 401 OD1 ASP A 29 12.334 0.556 5.885 1.00 0.00 O ATOM 402 OD2 ASP A 29 13.958 -0.559 6.874 1.00 0.00 O ATOM 0 H ASP A 29 12.650 -3.127 2.984 1.00 0.00 H new ATOM 0 HA ASP A 29 12.051 -0.296 3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.052 -2.172 5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.792 -2.252 5.024 1.00 0.00 H new ATOM 406 N TRP A 30 14.542 -0.867 1.758 1.00 0.00 N ATOM 407 CA TRP A 30 15.876 -0.557 1.236 1.00 0.00 C ATOM 408 C TRP A 30 15.948 -0.194 -0.264 1.00 0.00 C ATOM 409 O TRP A 30 16.959 0.386 -0.669 1.00 0.00 O ATOM 410 CB TRP A 30 16.803 -1.733 1.587 1.00 0.00 C ATOM 411 CG TRP A 30 16.371 -3.108 1.176 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.816 -4.040 1.985 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.484 -3.734 -0.141 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.576 -5.194 1.262 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.958 -5.058 -0.055 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.966 -3.306 -1.398 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.904 -5.913 -1.168 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.919 -4.160 -2.513 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.384 -5.458 -2.406 1.00 0.00 C ATOM 0 H TRP A 30 13.982 -1.432 1.120 1.00 0.00 H new ATOM 0 HA TRP A 30 16.201 0.366 1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.776 -1.539 1.136 1.00 0.00 H new ATOM 0 HB3 TRP A 30 16.947 -1.736 2.667 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.595 -3.904 3.033 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.167 -6.042 1.655 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.375 -2.312 -1.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.498 -6.909 -1.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.298 -3.816 -3.464 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.343 -6.101 -3.273 1.00 0.00 H new ATOM 429 N CYS A 31 14.926 -0.462 -1.094 1.00 0.00 N ATOM 430 CA CYS A 31 14.912 -0.006 -2.493 1.00 0.00 C ATOM 431 C CYS A 31 14.872 1.529 -2.582 1.00 0.00 C ATOM 432 O CYS A 31 14.156 2.189 -1.823 1.00 0.00 O ATOM 433 CB CYS A 31 13.728 -0.621 -3.254 1.00 0.00 C ATOM 434 SG CYS A 31 13.701 -0.009 -4.977 1.00 0.00 S ATOM 0 H CYS A 31 14.099 -0.992 -0.820 1.00 0.00 H new ATOM 0 HA CYS A 31 15.837 -0.344 -2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.807 -1.708 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.793 -0.366 -2.755 1.00 0.00 H new ATOM 0 HG CYS A 31 12.835 -0.691 -5.666 1.00 0.00 H new ATOM 439 N GLY A 32 15.599 2.107 -3.547 1.00 0.00 N ATOM 440 CA GLY A 32 15.609 3.548 -3.826 1.00 0.00 C ATOM 441 C GLY A 32 14.258 4.094 -4.304 1.00 0.00 C ATOM 442 O GLY A 32 14.012 5.292 -4.167 1.00 0.00 O ATOM 0 H GLY A 32 16.209 1.575 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.907 4.082 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.364 3.757 -4.584 1.00 0.00 H new ATOM 446 N HIS A 33 13.345 3.244 -4.787 1.00 0.00 N ATOM 447 CA HIS A 33 11.936 3.626 -4.946 1.00 0.00 C ATOM 448 C HIS A 33 11.263 3.811 -3.580 1.00 0.00 C ATOM 449 O HIS A 33 10.644 4.842 -3.297 1.00 0.00 O ATOM 450 CB HIS A 33 11.164 2.545 -5.713 1.00 0.00 C ATOM 451 CG HIS A 33 11.543 2.281 -7.149 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.736 1.036 -7.697 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.504 3.174 -8.184 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.782 1.170 -9.033 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.658 2.468 -9.384 1.00 0.00 N ATOM 0 H HIS A 33 13.555 2.288 -5.074 1.00 0.00 H new ATOM 0 HA HIS A 33 11.917 4.564 -5.500 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.268 1.609 -5.164 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.107 2.812 -5.691 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.376 4.242 -8.092 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.902 0.353 -9.729 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.673 2.854 -10.328 1.00 0.00 H new ATOM 463 N CYS A 34 11.396 2.809 -2.711 1.00 0.00 N ATOM 464 CA CYS A 34 10.804 2.808 -1.378 1.00 0.00 C ATOM 465 C CYS A 34 11.315 3.947 -0.505 1.00 0.00 C ATOM 466 O CYS A 34 10.514 4.546 0.211 1.00 0.00 O ATOM 467 CB CYS A 34 11.091 1.461 -0.719 1.00 0.00 C ATOM 468 SG CYS A 34 9.940 0.261 -1.447 1.00 0.00 S ATOM 0 H CYS A 34 11.927 1.963 -2.919 1.00 0.00 H new ATOM 0 HA CYS A 34 9.730 2.963 -1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.124 1.159 -0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.953 1.522 0.361 1.00 0.00 H new ATOM 0 HG CYS A 34 10.134 0.197 -2.731 1.00 0.00 H new ATOM 473 N GLN A 35 12.594 4.318 -0.605 1.00 0.00 N ATOM 474 CA GLN A 35 13.124 5.416 0.205 1.00 0.00 C ATOM 475 C GLN A 35 12.432 6.757 -0.104 1.00 0.00 C ATOM 476 O GLN A 35 12.428 7.654 0.733 1.00 0.00 O ATOM 477 CB GLN A 35 14.634 5.600 -0.016 1.00 0.00 C ATOM 478 CG GLN A 35 15.507 4.392 0.323 1.00 0.00 C ATOM 479 CD GLN A 35 15.271 3.815 1.708 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.675 4.362 2.728 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.617 2.683 1.784 1.00 0.00 N ATOM 0 H GLN A 35 13.272 3.881 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 35 12.927 5.139 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.800 5.863 -1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.969 6.447 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.329 3.612 -0.417 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.555 4.681 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.282 2.230 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.443 2.255 2.693 1.00 0.00 H new ATOM 488 N ALA A 36 11.845 6.880 -1.298 1.00 0.00 N ATOM 489 CA ALA A 36 11.044 8.025 -1.737 1.00 0.00 C ATOM 490 C ALA A 36 9.538 7.838 -1.475 1.00 0.00 C ATOM 491 O ALA A 36 8.867 8.807 -1.122 1.00 0.00 O ATOM 492 CB ALA A 36 11.326 8.239 -3.231 1.00 0.00 C ATOM 0 H ALA A 36 11.918 6.156 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 36 11.329 8.904 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.744 9.087 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.388 8.439 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.046 7.343 -3.786 1.00 0.00 H new ATOM 498 N ALA A 37 8.993 6.619 -1.602 1.00 0.00 N ATOM 499 CA ALA A 37 7.567 6.343 -1.386 1.00 0.00 C ATOM 500 C ALA A 37 7.193 6.214 0.105 1.00 0.00 C ATOM 501 O ALA A 37 6.086 6.569 0.490 1.00 0.00 O ATOM 502 CB ALA A 37 7.153 5.097 -2.164 1.00 0.00 C ATOM 0 H ALA A 37 9.533 5.793 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 37 7.014 7.204 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.094 4.900 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.330 5.257 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.739 4.244 -1.823 1.00 0.00 H new ATOM 508 N GLN A 38 8.120 5.769 0.956 1.00 0.00 N ATOM 509 CA GLN A 38 7.915 5.643 2.403 1.00 0.00 C ATOM 510 C GLN A 38 7.576 6.990 3.072 1.00 0.00 C ATOM 511 O GLN A 38 6.529 7.067 3.718 1.00 0.00 O ATOM 512 CB GLN A 38 9.138 4.982 3.059 1.00 0.00 C ATOM 513 CG GLN A 38 9.129 3.449 2.911 1.00 0.00 C ATOM 514 CD GLN A 38 10.386 2.794 3.494 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.436 2.746 2.866 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.341 2.282 4.711 1.00 0.00 N ATOM 0 H GLN A 38 9.051 5.481 0.655 1.00 0.00 H new ATOM 0 HA GLN A 38 7.048 5.001 2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.047 5.382 2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.164 5.242 4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.248 3.045 3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.045 3.190 1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.473 2.315 5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.174 1.854 5.115 1.00 0.00 H new ATOM 523 N PRO A 39 8.377 8.071 2.910 1.00 0.00 N ATOM 524 CA PRO A 39 8.028 9.384 3.441 1.00 0.00 C ATOM 525 C PRO A 39 6.845 10.017 2.692 1.00 0.00 C ATOM 526 O PRO A 39 6.197 10.906 3.236 1.00 0.00 O ATOM 527 CB PRO A 39 9.300 10.230 3.314 1.00 0.00 C ATOM 528 CG PRO A 39 10.011 9.621 2.114 1.00 0.00 C ATOM 529 CD PRO A 39 9.677 8.134 2.255 1.00 0.00 C ATOM 0 HA PRO A 39 7.696 9.313 4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.068 11.283 3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.912 10.174 4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.645 10.032 1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.086 9.801 2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.646 7.648 1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.435 7.619 2.844 1.00 0.00 H new ATOM 534 N LEU A 40 6.516 9.538 1.483 1.00 0.00 N ATOM 535 CA LEU A 40 5.316 9.960 0.752 1.00 0.00 C ATOM 536 C LEU A 40 4.084 9.493 1.513 1.00 0.00 C ATOM 537 O LEU A 40 3.267 10.325 1.919 1.00 0.00 O ATOM 538 CB LEU A 40 5.326 9.369 -0.672 1.00 0.00 C ATOM 539 CG LEU A 40 4.958 10.292 -1.841 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.708 11.121 -1.555 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.114 11.195 -2.268 1.00 0.00 C ATOM 0 H LEU A 40 7.077 8.846 0.986 1.00 0.00 H new ATOM 0 HA LEU A 40 5.300 11.047 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.324 8.973 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.639 8.523 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 40 4.736 9.628 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.490 11.758 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.864 10.456 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.877 11.742 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.796 11.825 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.414 11.823 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.958 10.581 -2.582 1.00 0.00 H new ATOM 552 N LEU A 41 3.989 8.175 1.760 1.00 0.00 N ATOM 553 CA LEU A 41 2.916 7.556 2.523 1.00 0.00 C ATOM 554 C LEU A 41 2.853 8.205 3.899 1.00 0.00 C ATOM 555 O LEU A 41 1.796 8.680 4.274 1.00 0.00 O ATOM 556 CB LEU A 41 3.055 6.016 2.611 1.00 0.00 C ATOM 557 CG LEU A 41 2.361 5.182 1.503 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.897 5.564 1.267 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.184 5.223 0.212 1.00 0.00 C ATOM 0 H LEU A 41 4.678 7.503 1.422 1.00 0.00 H new ATOM 0 HA LEU A 41 1.975 7.727 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.117 5.771 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.660 5.695 3.575 1.00 0.00 H new ATOM 0 HG LEU A 41 2.325 4.153 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.480 4.938 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.330 5.416 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.838 6.611 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.685 4.633 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.279 6.255 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.175 4.810 0.399 1.00 0.00 H new ATOM 570 N ALA A 42 3.986 8.338 4.588 1.00 0.00 N ATOM 571 CA ALA A 42 4.047 8.958 5.914 1.00 0.00 C ATOM 572 C ALA A 42 3.417 10.368 5.963 1.00 0.00 C ATOM 573 O ALA A 42 2.740 10.700 6.941 1.00 0.00 O ATOM 574 CB ALA A 42 5.512 8.985 6.369 1.00 0.00 C ATOM 0 H ALA A 42 4.891 8.018 4.242 1.00 0.00 H new ATOM 0 HA ALA A 42 3.448 8.357 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.578 9.444 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.897 7.966 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.103 9.564 5.659 1.00 0.00 H new ATOM 580 N GLU A 43 3.592 11.173 4.908 1.00 0.00 N ATOM 581 CA GLU A 43 2.995 12.512 4.812 1.00 0.00 C ATOM 582 C GLU A 43 1.476 12.469 4.577 1.00 0.00 C ATOM 583 O GLU A 43 0.744 13.181 5.264 1.00 0.00 O ATOM 584 CB GLU A 43 3.671 13.331 3.698 1.00 0.00 C ATOM 585 CG GLU A 43 5.063 13.828 4.084 1.00 0.00 C ATOM 586 CD GLU A 43 5.000 15.073 4.985 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.881 16.202 4.453 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.102 14.934 6.229 1.00 0.00 O ATOM 0 H GLU A 43 4.152 10.915 4.096 1.00 0.00 H new ATOM 0 HA GLU A 43 3.164 12.995 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.746 12.719 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.042 14.186 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.602 13.033 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.628 14.062 3.182 1.00 0.00 H new ATOM 593 N VAL A 44 0.986 11.622 3.657 1.00 0.00 N ATOM 594 CA VAL A 44 -0.464 11.462 3.413 1.00 0.00 C ATOM 595 C VAL A 44 -1.190 10.820 4.607 1.00 0.00 C ATOM 596 O VAL A 44 -2.194 11.361 5.074 1.00 0.00 O ATOM 597 CB VAL A 44 -0.764 10.745 2.068 1.00 0.00 C ATOM 598 CG1 VAL A 44 -0.025 9.448 1.831 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.250 10.435 1.898 1.00 0.00 C ATOM 0 H VAL A 44 1.573 11.033 3.066 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.875 12.467 3.315 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.410 11.475 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.312 9.037 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.049 9.634 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.278 8.736 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.410 9.934 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.581 9.786 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.820 11.364 1.921 1.00 0.00 H new ATOM 609 N PHE A 45 -0.665 9.709 5.135 1.00 0.00 N ATOM 610 CA PHE A 45 -1.277 8.890 6.187 1.00 0.00 C ATOM 611 C PHE A 45 -1.489 9.641 7.510 1.00 0.00 C ATOM 612 O PHE A 45 -2.373 9.281 8.287 1.00 0.00 O ATOM 613 CB PHE A 45 -0.433 7.623 6.441 1.00 0.00 C ATOM 614 CG PHE A 45 -1.204 6.323 6.375 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.237 6.071 7.297 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.891 5.364 5.397 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.967 4.880 7.215 1.00 0.00 C ATOM 618 CE2 PHE A 45 -1.625 4.170 5.316 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.676 3.931 6.220 1.00 0.00 C ATOM 0 H PHE A 45 0.235 9.341 4.828 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.266 8.619 5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.374 7.588 5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.032 7.704 7.424 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.466 6.795 8.065 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.082 5.546 4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.761 4.688 7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.383 3.436 4.561 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.256 3.023 6.150 1.00 0.00 H new ATOM 628 N SER A 46 -0.720 10.701 7.761 1.00 0.00 N ATOM 629 CA SER A 46 -0.877 11.546 8.956 1.00 0.00 C ATOM 630 C SER A 46 -2.263 12.221 9.055 1.00 0.00 C ATOM 631 O SER A 46 -2.648 12.661 10.140 1.00 0.00 O ATOM 632 CB SER A 46 0.233 12.603 8.989 1.00 0.00 C ATOM 633 OG SER A 46 1.509 12.021 9.214 1.00 0.00 O ATOM 0 H SER A 46 0.033 11.003 7.142 1.00 0.00 H new ATOM 0 HA SER A 46 -0.798 10.888 9.821 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.244 13.149 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.021 13.329 9.774 1.00 0.00 H new ATOM 0 HG SER A 46 1.829 11.604 8.387 1.00 0.00 H new ATOM 638 N ASP A 47 -3.039 12.286 7.960 1.00 0.00 N ATOM 639 CA ASP A 47 -4.421 12.797 7.934 1.00 0.00 C ATOM 640 C ASP A 47 -5.495 11.687 7.859 1.00 0.00 C ATOM 641 O ASP A 47 -6.683 11.974 8.017 1.00 0.00 O ATOM 642 CB ASP A 47 -4.558 13.771 6.752 1.00 0.00 C ATOM 643 CG ASP A 47 -5.743 14.741 6.919 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.776 15.481 7.936 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.611 14.805 6.017 1.00 0.00 O ATOM 0 H ASP A 47 -2.714 11.977 7.044 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.603 13.307 8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.636 14.344 6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.685 13.203 5.831 1.00 0.00 H new ATOM 649 N TYR A 48 -5.087 10.421 7.670 1.00 0.00 N ATOM 650 CA TYR A 48 -5.976 9.248 7.522 1.00 0.00 C ATOM 651 C TYR A 48 -5.640 8.038 8.445 1.00 0.00 C ATOM 652 O TYR A 48 -5.620 6.888 7.977 1.00 0.00 O ATOM 653 CB TYR A 48 -6.005 8.826 6.043 1.00 0.00 C ATOM 654 CG TYR A 48 -6.263 9.971 5.080 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.555 10.517 4.961 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.204 10.534 4.348 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.787 11.614 4.115 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.420 11.665 3.538 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.713 12.212 3.422 1.00 0.00 C ATOM 660 OH TYR A 48 -6.926 13.316 2.656 1.00 0.00 O ATOM 0 H TYR A 48 -4.099 10.174 7.614 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.964 9.567 7.855 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.053 8.359 5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.777 8.069 5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.372 10.090 5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.218 10.096 4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.788 12.000 3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.594 12.113 3.005 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.081 13.600 2.250 1.00 0.00 H new ATOM 669 N PRO A 49 -5.374 8.235 9.757 1.00 0.00 N ATOM 670 CA PRO A 49 -4.906 7.179 10.655 1.00 0.00 C ATOM 671 C PRO A 49 -5.891 6.012 10.853 1.00 0.00 C ATOM 672 O PRO A 49 -5.473 4.955 11.326 1.00 0.00 O ATOM 673 CB PRO A 49 -4.601 7.884 11.982 1.00 0.00 C ATOM 674 CG PRO A 49 -5.540 9.089 11.973 1.00 0.00 C ATOM 675 CD PRO A 49 -5.545 9.482 10.498 1.00 0.00 C ATOM 0 HA PRO A 49 -4.033 6.693 10.219 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.792 7.233 12.835 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.557 8.190 12.043 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.537 8.831 12.329 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.174 9.896 12.608 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.479 9.974 10.227 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.740 10.183 10.277 1.00 0.00 H new ATOM 680 N GLU A 50 -7.168 6.157 10.474 1.00 0.00 N ATOM 681 CA GLU A 50 -8.154 5.073 10.494 1.00 0.00 C ATOM 682 C GLU A 50 -7.971 4.026 9.378 1.00 0.00 C ATOM 683 O GLU A 50 -8.535 2.932 9.481 1.00 0.00 O ATOM 684 CB GLU A 50 -9.585 5.628 10.509 1.00 0.00 C ATOM 685 CG GLU A 50 -10.021 6.381 9.248 1.00 0.00 C ATOM 686 CD GLU A 50 -9.730 7.884 9.330 1.00 0.00 C ATOM 687 OE1 GLU A 50 -8.538 8.258 9.246 1.00 0.00 O ATOM 688 OE2 GLU A 50 -10.681 8.683 9.505 1.00 0.00 O ATOM 0 H GLU A 50 -7.548 7.043 10.141 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.974 4.534 11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.274 4.799 10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.686 6.298 11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.507 5.962 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.089 6.229 9.089 1.00 0.00 H new ATOM 693 N VAL A 51 -7.188 4.323 8.331 1.00 0.00 N ATOM 694 CA VAL A 51 -6.860 3.357 7.262 1.00 0.00 C ATOM 695 C VAL A 51 -5.807 2.351 7.785 1.00 0.00 C ATOM 696 O VAL A 51 -4.916 2.725 8.548 1.00 0.00 O ATOM 697 CB VAL A 51 -6.416 4.090 5.965 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.129 3.137 4.793 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.509 5.074 5.488 1.00 0.00 C ATOM 0 H VAL A 51 -6.762 5.240 8.197 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.750 2.789 6.990 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.496 4.609 6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.824 3.715 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.330 2.450 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.029 2.570 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.176 5.575 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.428 4.525 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.694 5.816 6.264 1.00 0.00 H new ATOM 709 N GLY A 52 -5.888 1.075 7.385 1.00 0.00 N ATOM 710 CA GLY A 52 -4.871 0.051 7.681 1.00 0.00 C ATOM 711 C GLY A 52 -3.723 0.076 6.664 1.00 0.00 C ATOM 712 O GLY A 52 -3.924 0.487 5.525 1.00 0.00 O ATOM 0 H GLY A 52 -6.672 0.718 6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.473 0.213 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.337 -0.935 7.679 1.00 0.00 H new ATOM 716 N HIS A 53 -2.526 -0.378 7.037 1.00 0.00 N ATOM 717 CA HIS A 53 -1.377 -0.411 6.116 1.00 0.00 C ATOM 718 C HIS A 53 -0.506 -1.666 6.305 1.00 0.00 C ATOM 719 O HIS A 53 0.185 -1.817 7.322 1.00 0.00 O ATOM 720 CB HIS A 53 -0.528 0.857 6.306 1.00 0.00 C ATOM 721 CG HIS A 53 0.392 1.194 5.149 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.531 1.968 5.232 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.233 0.858 3.826 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.052 2.071 3.994 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.288 1.416 3.104 1.00 0.00 N ATOM 0 H HIS A 53 -2.321 -0.730 7.972 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.771 -0.448 5.100 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.196 1.701 6.476 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.074 0.741 7.207 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.911 2.388 6.080 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.570 0.264 3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.958 2.606 3.751 1.00 0.00 H new ATOM 733 N LEU A 54 -0.493 -2.542 5.294 1.00 0.00 N ATOM 734 CA LEU A 54 0.319 -3.754 5.246 1.00 0.00 C ATOM 735 C LEU A 54 1.524 -3.535 4.320 1.00 0.00 C ATOM 736 O LEU A 54 1.374 -3.424 3.107 1.00 0.00 O ATOM 737 CB LEU A 54 -0.591 -4.916 4.791 1.00 0.00 C ATOM 738 CG LEU A 54 0.122 -6.247 4.474 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.941 -6.799 5.651 1.00 0.00 C ATOM 740 CD2 LEU A 54 -0.935 -7.271 4.046 1.00 0.00 C ATOM 0 H LEU A 54 -1.068 -2.419 4.461 1.00 0.00 H new ATOM 0 HA LEU A 54 0.727 -4.004 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.330 -5.099 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.137 -4.598 3.903 1.00 0.00 H new ATOM 0 HG LEU A 54 0.837 -6.057 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.414 -7.736 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.708 -6.077 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.282 -6.976 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.450 -8.220 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.651 -7.415 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.457 -6.907 3.161 1.00 0.00 H new ATOM 751 N LYS A 55 2.732 -3.501 4.891 1.00 0.00 N ATOM 752 CA LYS A 55 3.980 -3.352 4.127 1.00 0.00 C ATOM 753 C LYS A 55 4.561 -4.730 3.776 1.00 0.00 C ATOM 754 O LYS A 55 5.204 -5.379 4.608 1.00 0.00 O ATOM 755 CB LYS A 55 5.019 -2.560 4.929 1.00 0.00 C ATOM 756 CG LYS A 55 4.780 -1.058 5.103 1.00 0.00 C ATOM 757 CD LYS A 55 3.688 -0.673 6.108 1.00 0.00 C ATOM 758 CE LYS A 55 3.872 -1.310 7.497 1.00 0.00 C ATOM 759 NZ LYS A 55 2.746 -0.974 8.408 1.00 0.00 N ATOM 0 H LYS A 55 2.875 -3.576 5.898 1.00 0.00 H new ATOM 0 HA LYS A 55 3.746 -2.810 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.091 -3.007 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.988 -2.693 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.715 -0.593 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.521 -0.635 4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.671 0.412 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.718 -0.969 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.947 -2.393 7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.809 -0.966 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.887 -1.448 9.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.712 0.055 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.851 -1.294 7.986 1.00 0.00 H new ATOM 769 N VAL A 56 4.349 -5.171 2.547 1.00 0.00 N ATOM 770 CA VAL A 56 4.754 -6.477 2.018 1.00 0.00 C ATOM 771 C VAL A 56 6.153 -6.380 1.444 1.00 0.00 C ATOM 772 O VAL A 56 6.384 -5.710 0.435 1.00 0.00 O ATOM 773 CB VAL A 56 3.773 -6.980 0.924 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.109 -8.412 0.491 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.308 -6.902 1.381 1.00 0.00 C ATOM 0 H VAL A 56 3.866 -4.604 1.850 1.00 0.00 H new ATOM 0 HA VAL A 56 4.737 -7.194 2.839 1.00 0.00 H new ATOM 0 HB VAL A 56 3.895 -6.315 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.405 -8.735 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.122 -8.442 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.040 -9.078 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.658 -7.264 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.171 -7.519 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.054 -5.868 1.614 1.00 0.00 H new ATOM 785 N GLU A 57 7.077 -7.055 2.123 1.00 0.00 N ATOM 786 CA GLU A 57 8.466 -7.164 1.708 1.00 0.00 C ATOM 787 C GLU A 57 8.577 -8.147 0.529 1.00 0.00 C ATOM 788 O GLU A 57 8.649 -9.363 0.708 1.00 0.00 O ATOM 789 CB GLU A 57 9.346 -7.556 2.902 1.00 0.00 C ATOM 790 CG GLU A 57 10.768 -7.081 2.656 1.00 0.00 C ATOM 791 CD GLU A 57 11.734 -7.655 3.700 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.865 -7.071 4.801 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.356 -8.708 3.413 1.00 0.00 O ATOM 0 H GLU A 57 6.874 -7.549 2.992 1.00 0.00 H new ATOM 0 HA GLU A 57 8.831 -6.199 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.955 -7.112 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.330 -8.637 3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.087 -7.381 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.801 -5.992 2.687 1.00 0.00 H new ATOM 894 N GLY A 65 2.332 -10.028 -4.116 1.00 0.00 N ATOM 895 CA GLY A 65 2.322 -8.985 -5.169 1.00 0.00 C ATOM 896 C GLY A 65 2.083 -9.527 -6.588 1.00 0.00 C ATOM 897 O GLY A 65 1.503 -8.845 -7.439 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.547 -8.255 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.274 -8.455 -5.150 1.00 0.00 H new ATOM 901 N ARG A 66 2.451 -10.791 -6.806 1.00 0.00 N ATOM 902 CA ARG A 66 2.115 -11.576 -7.999 1.00 0.00 C ATOM 903 C ARG A 66 0.611 -11.875 -8.074 1.00 0.00 C ATOM 904 O ARG A 66 0.004 -11.715 -9.131 1.00 0.00 O ATOM 905 CB ARG A 66 2.963 -12.856 -7.976 1.00 0.00 C ATOM 906 CG ARG A 66 2.830 -13.713 -9.243 1.00 0.00 C ATOM 907 CD ARG A 66 3.777 -14.923 -9.230 1.00 0.00 C ATOM 908 NE ARG A 66 5.191 -14.529 -9.392 1.00 0.00 N ATOM 909 CZ ARG A 66 6.103 -14.378 -8.435 1.00 0.00 C ATOM 910 NH1 ARG A 66 5.851 -14.598 -7.161 1.00 0.00 N ATOM 911 NH2 ARG A 66 7.321 -13.991 -8.737 1.00 0.00 N ATOM 0 H ARG A 66 3.011 -11.316 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 66 2.344 -11.006 -8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.010 -12.584 -7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.676 -13.455 -7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.801 -14.060 -9.338 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.041 -13.099 -10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.658 -15.465 -8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.499 -15.608 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 66 5.504 -14.352 -10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.921 -14.899 -6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.586 -14.468 -6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.571 -13.805 -9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.017 -13.876 -8.000 1.00 0.00 H new ATOM 922 N SER A 67 -0.026 -12.202 -6.951 1.00 0.00 N ATOM 923 CA SER A 67 -1.465 -12.511 -6.833 1.00 0.00 C ATOM 924 C SER A 67 -2.359 -11.253 -6.817 1.00 0.00 C ATOM 925 O SER A 67 -3.569 -11.337 -7.031 1.00 0.00 O ATOM 926 CB SER A 67 -1.716 -13.301 -5.532 1.00 0.00 C ATOM 927 OG SER A 67 -0.740 -14.317 -5.315 1.00 0.00 O ATOM 0 H SER A 67 0.460 -12.264 -6.056 1.00 0.00 H new ATOM 0 HA SER A 67 -1.730 -13.095 -7.715 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.714 -12.613 -4.687 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.706 -13.755 -5.571 1.00 0.00 H new ATOM 0 HG SER A 67 -0.939 -14.789 -4.479 1.00 0.00 H new ATOM 932 N PHE A 68 -1.761 -10.075 -6.594 1.00 0.00 N ATOM 933 CA PHE A 68 -2.341 -8.766 -6.889 1.00 0.00 C ATOM 934 C PHE A 68 -2.083 -8.311 -8.329 1.00 0.00 C ATOM 935 O PHE A 68 -2.714 -7.346 -8.766 1.00 0.00 O ATOM 936 CB PHE A 68 -1.784 -7.736 -5.901 1.00 0.00 C ATOM 937 CG PHE A 68 -2.581 -7.651 -4.624 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.259 -8.469 -3.534 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.642 -6.741 -4.523 1.00 0.00 C ATOM 940 CE1 PHE A 68 -2.960 -8.341 -2.324 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.353 -6.617 -3.317 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.010 -7.411 -2.214 1.00 0.00 C ATOM 0 H PHE A 68 -0.827 -10.009 -6.189 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.422 -8.852 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.752 -7.992 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.767 -6.756 -6.378 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.469 -9.200 -3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.914 -6.134 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.693 -8.957 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.165 -5.909 -3.240 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.549 -7.309 -1.284 1.00 0.00 H new ATOM 951 N GLN A 69 -1.185 -8.976 -9.061 1.00 0.00 N ATOM 952 CA GLN A 69 -0.783 -8.628 -10.426 1.00 0.00 C ATOM 953 C GLN A 69 -0.297 -7.164 -10.458 1.00 0.00 C ATOM 954 O GLN A 69 -0.823 -6.340 -11.207 1.00 0.00 O ATOM 955 CB GLN A 69 -1.911 -8.965 -11.431 1.00 0.00 C ATOM 956 CG GLN A 69 -2.238 -10.473 -11.504 1.00 0.00 C ATOM 957 CD GLN A 69 -3.110 -11.070 -10.386 1.00 0.00 C ATOM 958 OE1 GLN A 69 -3.019 -12.251 -10.075 1.00 0.00 O ATOM 959 NE2 GLN A 69 -3.985 -10.328 -9.731 1.00 0.00 N ATOM 0 H GLN A 69 -0.701 -9.801 -8.706 1.00 0.00 H new ATOM 0 HA GLN A 69 0.063 -9.235 -10.748 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.812 -8.419 -11.151 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.621 -8.615 -12.422 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.736 -10.663 -12.455 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.295 -11.020 -11.523 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.090 -9.340 -9.962 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.556 -10.743 -8.995 1.00 0.00 H new ATOM 966 N VAL A 70 0.656 -6.830 -9.578 1.00 0.00 N ATOM 967 CA VAL A 70 1.275 -5.495 -9.429 1.00 0.00 C ATOM 968 C VAL A 70 1.931 -5.026 -10.744 1.00 0.00 C ATOM 969 O VAL A 70 2.604 -5.800 -11.426 1.00 0.00 O ATOM 970 CB VAL A 70 2.266 -5.504 -8.234 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.284 -4.361 -8.257 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.488 -5.449 -6.912 1.00 0.00 C ATOM 0 H VAL A 70 1.037 -7.509 -8.919 1.00 0.00 H new ATOM 0 HA VAL A 70 0.496 -4.765 -9.207 1.00 0.00 H new ATOM 0 HB VAL A 70 2.831 -6.432 -8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.939 -4.439 -7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.880 -4.423 -9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.759 -3.406 -8.231 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.189 -5.456 -6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.892 -4.537 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.830 -6.315 -6.841 1.00 0.00 H new ATOM 982 N LYS A 71 1.707 -3.754 -11.115 1.00 0.00 N ATOM 983 CA LYS A 71 1.980 -3.232 -12.467 1.00 0.00 C ATOM 984 C LYS A 71 3.440 -2.807 -12.689 1.00 0.00 C ATOM 985 O LYS A 71 4.067 -3.225 -13.663 1.00 0.00 O ATOM 986 CB LYS A 71 1.023 -2.061 -12.773 1.00 0.00 C ATOM 987 CG LYS A 71 -0.466 -2.345 -12.530 1.00 0.00 C ATOM 988 CD LYS A 71 -0.968 -3.624 -13.227 1.00 0.00 C ATOM 989 CE LYS A 71 -2.434 -3.876 -12.861 1.00 0.00 C ATOM 990 NZ LYS A 71 -2.818 -5.282 -13.124 1.00 0.00 N ATOM 0 H LYS A 71 1.328 -3.052 -10.480 1.00 0.00 H new ATOM 0 HA LYS A 71 1.805 -4.055 -13.160 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.316 -1.206 -12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.154 -1.770 -13.815 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.641 -2.432 -11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.052 -1.495 -12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.866 -3.524 -14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.358 -4.476 -12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.594 -3.644 -11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.075 -3.208 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.820 -5.419 -12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.671 -5.500 -14.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.233 -5.916 -12.544 1.00 0.00 H new ATOM 1000 N LEU A 72 3.969 -1.971 -11.786 1.00 0.00 N ATOM 1001 CA LEU A 72 5.369 -1.549 -11.740 1.00 0.00 C ATOM 1002 C LEU A 72 6.086 -2.434 -10.709 1.00 0.00 C ATOM 1003 O LEU A 72 6.074 -3.658 -10.829 1.00 0.00 O ATOM 1004 CB LEU A 72 5.396 -0.024 -11.483 1.00 0.00 C ATOM 1005 CG LEU A 72 6.754 0.684 -11.683 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.267 0.577 -13.132 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.610 2.169 -11.318 1.00 0.00 C ATOM 0 H LEU A 72 3.410 -1.556 -11.041 1.00 0.00 H new ATOM 0 HA LEU A 72 5.916 -1.689 -12.672 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.666 0.446 -12.142 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.065 0.156 -10.460 1.00 0.00 H new ATOM 0 HG LEU A 72 7.477 0.188 -11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.224 1.091 -13.218 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.394 -0.473 -13.396 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.546 1.037 -13.808 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.567 2.672 -11.458 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.860 2.630 -11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.301 2.259 -10.277 1.00 0.00 H new ATOM 1018 N TRP A 73 6.645 -1.830 -9.662 1.00 0.00 N ATOM 1019 CA TRP A 73 7.065 -2.501 -8.435 1.00 0.00 C ATOM 1020 C TRP A 73 6.720 -1.674 -7.183 1.00 0.00 C ATOM 1021 O TRP A 73 6.068 -2.242 -6.306 1.00 0.00 O ATOM 1022 CB TRP A 73 8.553 -2.834 -8.528 1.00 0.00 C ATOM 1023 CG TRP A 73 9.075 -3.715 -7.442 1.00 0.00 C ATOM 1024 CD1 TRP A 73 8.998 -5.063 -7.411 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.755 -3.323 -6.212 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.594 -5.528 -6.262 1.00 0.00 N ATOM 1027 CE2 TRP A 73 10.112 -4.507 -5.496 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.113 -2.085 -5.641 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.841 -4.460 -4.299 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.815 -2.028 -4.429 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.206 -3.211 -3.775 1.00 0.00 C ATOM 0 H TRP A 73 6.824 -0.826 -9.645 1.00 0.00 H new ATOM 0 HA TRP A 73 6.511 -3.434 -8.330 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.742 -3.316 -9.487 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.119 -1.902 -8.522 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.540 -5.680 -8.170 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.646 -6.514 -6.007 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.843 -1.168 -6.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.117 -5.371 -3.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.057 -1.070 -3.994 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.789 -3.157 -2.867 1.00 0.00 H new ATOM 1041 N PRO A 74 7.056 -0.356 -7.085 1.00 0.00 N ATOM 1042 CA PRO A 74 6.530 0.491 -6.035 1.00 0.00 C ATOM 1043 C PRO A 74 5.055 0.779 -6.329 1.00 0.00 C ATOM 1044 O PRO A 74 4.723 1.585 -7.202 1.00 0.00 O ATOM 1045 CB PRO A 74 7.392 1.753 -6.008 1.00 0.00 C ATOM 1046 CG PRO A 74 7.818 1.889 -7.470 1.00 0.00 C ATOM 1047 CD PRO A 74 7.964 0.437 -7.913 1.00 0.00 C ATOM 0 HA PRO A 74 6.569 0.022 -5.052 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.830 2.622 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.249 1.646 -5.343 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.072 2.420 -8.061 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.754 2.439 -7.570 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.716 0.329 -8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.993 0.098 -7.791 1.00 0.00 H new ATOM 1052 N THR A 75 4.171 0.069 -5.630 1.00 0.00 N ATOM 1053 CA THR A 75 2.733 0.023 -5.899 1.00 0.00 C ATOM 1054 C THR A 75 2.020 -0.369 -4.621 1.00 0.00 C ATOM 1055 O THR A 75 2.482 -1.239 -3.885 1.00 0.00 O ATOM 1056 CB THR A 75 2.434 -1.007 -7.001 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.957 -0.542 -8.226 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.942 -1.287 -7.217 1.00 0.00 C ATOM 0 H THR A 75 4.444 -0.509 -4.835 1.00 0.00 H new ATOM 0 HA THR A 75 2.387 1.000 -6.237 1.00 0.00 H new ATOM 0 HB THR A 75 2.898 -1.936 -6.668 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.770 -1.197 -8.931 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.821 -2.024 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.507 -1.673 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.436 -0.364 -7.499 1.00 0.00 H new ATOM 1066 N PHE A 76 0.869 0.257 -4.384 1.00 0.00 N ATOM 1067 CA PHE A 76 0.038 -0.009 -3.223 1.00 0.00 C ATOM 1068 C PHE A 76 -1.447 -0.017 -3.607 1.00 0.00 C ATOM 1069 O PHE A 76 -1.941 0.875 -4.298 1.00 0.00 O ATOM 1070 CB PHE A 76 0.357 0.971 -2.076 1.00 0.00 C ATOM 1071 CG PHE A 76 0.809 2.337 -2.495 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.150 2.550 -2.867 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.114 3.385 -2.530 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.562 3.811 -3.319 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.311 4.649 -2.941 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.634 4.857 -3.365 1.00 0.00 C ATOM 0 H PHE A 76 0.487 0.971 -5.004 1.00 0.00 H new ATOM 0 HA PHE A 76 0.270 -1.006 -2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.533 1.077 -1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.131 0.528 -1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.862 1.741 -2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.142 3.219 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.584 3.973 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.384 5.476 -2.933 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.936 5.828 -3.728 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.136 -1.068 -3.168 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.507 -1.431 -3.554 1.00 0.00 C ATOM 1087 C VAL A 77 -4.462 -1.173 -2.393 1.00 0.00 C ATOM 1088 O VAL A 77 -4.282 -1.732 -1.307 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.583 -2.903 -4.025 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.002 -3.252 -4.497 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.571 -3.183 -5.158 1.00 0.00 C ATOM 0 H VAL A 77 -1.737 -1.726 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.808 -0.806 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.328 -3.532 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.031 -4.292 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.704 -3.110 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.279 -2.603 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.649 -4.225 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.788 -2.536 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.560 -2.986 -4.800 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.465 -0.322 -2.616 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.470 0.053 -1.624 1.00 0.00 C ATOM 1103 C PHE A 78 -7.627 -0.950 -1.672 1.00 0.00 C ATOM 1104 O PHE A 78 -8.344 -1.072 -2.674 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.963 1.501 -1.853 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.918 2.602 -1.721 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.966 2.779 -2.746 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.866 3.447 -0.587 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.957 3.743 -2.627 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.875 4.447 -0.492 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.921 4.589 -1.514 1.00 0.00 C ATOM 0 H PHE A 78 -5.603 0.137 -3.516 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.023 0.024 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.397 1.560 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.765 1.705 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.015 2.164 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.587 3.326 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.205 3.833 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.850 5.103 0.366 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.160 5.352 -1.440 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.817 -1.674 -0.572 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.934 -2.577 -0.330 1.00 0.00 C ATOM 1122 C LEU A 79 -9.945 -1.929 0.630 1.00 0.00 C ATOM 1123 O LEU A 79 -9.587 -1.068 1.437 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.429 -3.906 0.256 1.00 0.00 C ATOM 1125 CG LEU A 79 -8.188 -5.001 -0.793 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -7.143 -4.639 -1.843 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.799 -6.282 -0.062 1.00 0.00 C ATOM 0 H LEU A 79 -7.164 -1.644 0.211 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.429 -2.778 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.500 -3.723 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.154 -4.269 0.984 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.114 -5.132 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.032 -5.465 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.461 -3.745 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.188 -4.448 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.622 -7.076 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.891 -6.110 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.605 -6.577 0.609 1.00 0.00 H new ATOM 1138 N ARG A 80 -11.194 -2.401 0.577 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.291 -2.051 1.483 1.00 0.00 C ATOM 1140 C ARG A 80 -13.403 -3.092 1.326 1.00 0.00 C ATOM 1141 O ARG A 80 -13.778 -3.443 0.210 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.756 -0.610 1.194 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.835 -0.084 2.148 1.00 0.00 C ATOM 1144 CD ARG A 80 -14.075 1.413 1.876 1.00 0.00 C ATOM 1145 NE ARG A 80 -15.363 1.869 2.428 1.00 0.00 N ATOM 1146 CZ ARG A 80 -15.904 3.066 2.245 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -15.249 4.078 1.717 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -17.153 3.286 2.590 1.00 0.00 N ATOM 0 H ARG A 80 -11.482 -3.072 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.971 -2.069 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.892 0.053 1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.137 -0.563 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.761 -0.643 2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.524 -0.231 3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.265 1.997 2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.055 1.595 0.802 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.884 1.206 3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.278 3.961 1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.712 4.979 1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.709 2.535 3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.567 4.208 2.448 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.867 -3.649 2.453 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.815 -4.783 2.520 1.00 0.00 C ATOM 1161 C ASP A 81 -14.266 -6.055 1.827 1.00 0.00 C ATOM 1162 O ASP A 81 -15.010 -6.849 1.249 1.00 0.00 O ATOM 1163 CB ASP A 81 -16.202 -4.356 1.992 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.333 -5.327 2.390 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.408 -5.715 3.583 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -18.178 -5.652 1.520 1.00 0.00 O ATOM 0 H ASP A 81 -13.587 -3.316 3.376 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.937 -5.061 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.437 -3.361 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.162 -4.282 0.905 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.932 -6.202 1.819 1.00 0.00 N ATOM 1171 CA GLY A 82 -12.186 -7.302 1.184 1.00 0.00 C ATOM 1172 C GLY A 82 -11.966 -7.151 -0.326 1.00 0.00 C ATOM 1173 O GLY A 82 -11.174 -7.901 -0.895 1.00 0.00 O ATOM 0 H GLY A 82 -12.316 -5.529 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.214 -7.390 1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.719 -8.235 1.366 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.629 -6.181 -0.967 1.00 0.00 N ATOM 1178 CA ARG A 83 -12.561 -5.896 -2.398 1.00 0.00 C ATOM 1179 C ARG A 83 -11.567 -4.766 -2.667 1.00 0.00 C ATOM 1180 O ARG A 83 -11.523 -3.782 -1.932 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.983 -5.540 -2.874 1.00 0.00 C ATOM 1182 CG ARG A 83 -14.090 -5.461 -4.403 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.527 -5.144 -4.824 1.00 0.00 C ATOM 1184 NE ARG A 83 -15.637 -5.019 -6.286 1.00 0.00 N ATOM 1185 CZ ARG A 83 -15.837 -5.997 -7.166 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -15.957 -7.252 -6.791 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -15.903 -5.720 -8.450 1.00 0.00 N ATOM 0 H ARG A 83 -13.257 -5.545 -0.475 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.204 -6.764 -2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.684 -6.287 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.278 -4.583 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.416 -4.692 -4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.775 -6.406 -4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.194 -5.931 -4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.851 -4.217 -4.352 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.550 -4.077 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.897 -7.497 -5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.110 -7.980 -7.489 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.801 -4.757 -8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.056 -6.468 -9.126 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.774 -4.886 -3.727 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.961 -3.778 -4.243 1.00 0.00 C ATOM 1200 C GLU A 84 -10.881 -2.650 -4.734 1.00 0.00 C ATOM 1201 O GLU A 84 -11.684 -2.846 -5.646 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.965 -4.250 -5.321 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.264 -3.089 -6.051 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.245 -3.546 -7.108 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.928 -4.751 -7.209 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.730 -2.684 -7.855 1.00 0.00 O ATOM 0 H GLU A 84 -10.673 -5.752 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.347 -3.382 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.211 -4.886 -4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.494 -4.863 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.018 -2.466 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.756 -2.464 -5.316 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.741 -1.468 -4.139 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.469 -0.242 -4.518 1.00 0.00 C ATOM 1213 C VAL A 85 -10.650 0.665 -5.440 1.00 0.00 C ATOM 1214 O VAL A 85 -11.222 1.466 -6.180 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.916 0.561 -3.275 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -13.074 -0.166 -2.590 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.787 0.791 -2.251 1.00 0.00 C ATOM 0 H VAL A 85 -10.102 -1.324 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.350 -0.577 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.223 1.544 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.390 0.399 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.909 -0.256 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.749 -1.160 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.173 1.361 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.413 -0.171 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.976 1.346 -2.722 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.320 0.524 -5.410 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.342 1.312 -6.160 1.00 0.00 C ATOM 1229 C ALA A 86 -6.935 0.730 -5.983 1.00 0.00 C ATOM 1230 O ALA A 86 -6.704 -0.129 -5.135 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.369 2.763 -5.659 1.00 0.00 C ATOM 0 H ALA A 86 -8.874 -0.185 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.599 1.282 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.641 3.354 -6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.365 3.181 -5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.120 2.786 -4.598 1.00 0.00 H new ATOM 1237 N ARG A 87 -5.974 1.306 -6.700 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.550 1.184 -6.408 1.00 0.00 C ATOM 1239 C ARG A 87 -3.789 2.391 -6.956 1.00 0.00 C ATOM 1240 O ARG A 87 -4.237 3.020 -7.919 1.00 0.00 O ATOM 1241 CB ARG A 87 -4.006 -0.160 -6.900 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.022 -0.327 -8.422 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.237 -1.584 -8.790 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.003 -2.813 -8.510 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.581 -4.064 -8.631 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.369 -4.375 -9.046 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.382 -5.056 -8.337 1.00 0.00 N ATOM 0 H ARG A 87 -6.169 1.883 -7.518 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.399 1.190 -5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.982 -0.277 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.593 -0.962 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.048 -0.404 -8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.581 0.547 -8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.976 -1.552 -9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.301 -1.604 -8.231 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.963 -2.687 -8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.709 -3.637 -9.291 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.092 -5.354 -9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.331 -4.867 -8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.057 -6.018 -8.430 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.651 2.711 -6.345 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.749 3.787 -6.787 1.00 0.00 C ATOM 1260 C VAL A 88 -0.409 3.163 -7.201 1.00 0.00 C ATOM 1261 O VAL A 88 0.163 2.368 -6.457 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.564 4.841 -5.676 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.451 5.857 -6.000 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.841 5.641 -5.360 1.00 0.00 C ATOM 0 H VAL A 88 -2.318 2.224 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.182 4.305 -7.643 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.291 4.246 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.365 6.575 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.496 5.332 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.696 6.384 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.632 6.362 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.170 6.169 -6.255 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.625 4.959 -5.032 1.00 0.00 H new ATOM 1274 N VAL A 89 0.060 3.530 -8.396 1.00 0.00 N ATOM 1275 CA VAL A 89 1.339 3.101 -8.986 1.00 0.00 C ATOM 1276 C VAL A 89 2.178 4.361 -9.215 1.00 0.00 C ATOM 1277 O VAL A 89 1.683 5.312 -9.822 1.00 0.00 O ATOM 1278 CB VAL A 89 1.104 2.363 -10.329 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.424 1.940 -10.993 1.00 0.00 C ATOM 1280 CG2 VAL A 89 0.203 1.124 -10.159 1.00 0.00 C ATOM 0 H VAL A 89 -0.459 4.160 -9.007 1.00 0.00 H new ATOM 0 HA VAL A 89 1.851 2.408 -8.318 1.00 0.00 H new ATOM 0 HB VAL A 89 0.598 3.080 -10.976 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.211 1.427 -11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.030 2.823 -11.192 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.968 1.269 -10.327 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.066 0.639 -11.125 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.672 0.426 -9.465 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.766 1.430 -9.766 1.00 0.00 H new ATOM 1290 N ARG A 90 3.433 4.366 -8.732 1.00 0.00 N ATOM 1291 CA ARG A 90 4.425 5.429 -8.953 1.00 0.00 C ATOM 1292 C ARG A 90 3.919 6.818 -8.454 1.00 0.00 C ATOM 1293 O ARG A 90 3.507 7.640 -9.285 1.00 0.00 O ATOM 1294 CB ARG A 90 4.834 5.445 -10.441 1.00 0.00 C ATOM 1295 CG ARG A 90 6.144 6.213 -10.667 1.00 0.00 C ATOM 1296 CD ARG A 90 6.508 6.257 -12.155 1.00 0.00 C ATOM 1297 NE ARG A 90 7.735 7.036 -12.375 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.182 7.499 -13.537 1.00 0.00 C ATOM 1299 NH1 ARG A 90 7.540 7.291 -14.669 1.00 0.00 N ATOM 1300 NH2 ARG A 90 9.301 8.186 -13.578 1.00 0.00 N ATOM 0 H ARG A 90 3.795 3.604 -8.158 1.00 0.00 H new ATOM 0 HA ARG A 90 5.311 5.214 -8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.947 4.421 -10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.039 5.902 -11.031 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.045 7.228 -10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.949 5.738 -10.106 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.645 5.243 -12.530 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.687 6.697 -12.721 1.00 0.00 H new ATOM 0 HE ARG A 90 8.301 7.242 -11.552 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.670 6.759 -14.671 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.913 7.662 -15.543 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.823 8.362 -12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.648 8.543 -14.468 1.00 0.00 H new ATOM 1311 N PRO A 91 3.913 7.098 -7.130 1.00 0.00 N ATOM 1312 CA PRO A 91 3.287 8.294 -6.544 1.00 0.00 C ATOM 1313 C PRO A 91 3.907 9.612 -7.034 1.00 0.00 C ATOM 1314 O PRO A 91 3.185 10.471 -7.537 1.00 0.00 O ATOM 1315 CB PRO A 91 3.400 8.139 -5.029 1.00 0.00 C ATOM 1316 CG PRO A 91 4.524 7.129 -4.823 1.00 0.00 C ATOM 1317 CD PRO A 91 4.430 6.242 -6.067 1.00 0.00 C ATOM 0 HA PRO A 91 2.246 8.359 -6.861 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.631 9.091 -4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.465 7.783 -4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.496 7.617 -4.749 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.386 6.554 -3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.406 5.836 -6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.769 5.393 -5.893 1.00 0.00 H new ATOM 1322 N GLY A 92 5.231 9.780 -6.887 1.00 0.00 N ATOM 1323 CA GLY A 92 5.977 10.974 -7.320 1.00 0.00 C ATOM 1324 C GLY A 92 5.819 12.175 -6.381 1.00 0.00 C ATOM 1325 O GLY A 92 6.816 12.763 -5.964 1.00 0.00 O ATOM 0 H GLY A 92 5.826 9.074 -6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.035 10.722 -7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.643 11.258 -8.318 1.00 0.00 H new ATOM 1329 N SER A 93 4.582 12.530 -6.029 1.00 0.00 N ATOM 1330 CA SER A 93 4.236 13.716 -5.231 1.00 0.00 C ATOM 1331 C SER A 93 2.984 13.464 -4.371 1.00 0.00 C ATOM 1332 O SER A 93 2.042 12.805 -4.819 1.00 0.00 O ATOM 1333 CB SER A 93 3.954 14.919 -6.157 1.00 0.00 C ATOM 1334 OG SER A 93 5.066 15.266 -6.975 1.00 0.00 O ATOM 0 H SER A 93 3.764 11.984 -6.299 1.00 0.00 H new ATOM 0 HA SER A 93 5.084 13.929 -4.580 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.100 14.688 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.675 15.780 -5.550 1.00 0.00 H new ATOM 0 HG SER A 93 4.830 16.031 -7.540 1.00 0.00 H new ATOM 1339 N ALA A 94 2.944 14.030 -3.159 1.00 0.00 N ATOM 1340 CA ALA A 94 1.829 13.876 -2.215 1.00 0.00 C ATOM 1341 C ALA A 94 0.482 14.306 -2.808 1.00 0.00 C ATOM 1342 O ALA A 94 -0.538 13.721 -2.473 1.00 0.00 O ATOM 1343 CB ALA A 94 2.170 14.654 -0.944 1.00 0.00 C ATOM 0 H ALA A 94 3.697 14.617 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 94 1.707 12.819 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.355 14.554 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.087 14.256 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.311 15.707 -1.189 1.00 0.00 H new ATOM 1349 N SER A 95 0.473 15.231 -3.761 1.00 0.00 N ATOM 1350 CA SER A 95 -0.716 15.610 -4.526 1.00 0.00 C ATOM 1351 C SER A 95 -1.394 14.438 -5.264 1.00 0.00 C ATOM 1352 O SER A 95 -2.616 14.449 -5.402 1.00 0.00 O ATOM 1353 CB SER A 95 -0.338 16.708 -5.524 1.00 0.00 C ATOM 1354 OG SER A 95 0.770 16.302 -6.323 1.00 0.00 O ATOM 0 H SER A 95 1.308 15.751 -4.031 1.00 0.00 H new ATOM 0 HA SER A 95 -1.451 15.968 -3.805 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.191 16.934 -6.164 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.090 17.624 -4.988 1.00 0.00 H new ATOM 0 HG SER A 95 0.996 17.015 -6.956 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.645 13.411 -5.683 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.187 12.193 -6.310 1.00 0.00 C ATOM 1361 C VAL A 96 -1.644 11.195 -5.241 1.00 0.00 C ATOM 1362 O VAL A 96 -2.708 10.585 -5.364 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.132 11.535 -7.232 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.662 10.262 -7.911 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.352 12.508 -8.326 1.00 0.00 C ATOM 0 H VAL A 96 0.371 13.400 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.048 12.479 -6.915 1.00 0.00 H new ATOM 0 HB VAL A 96 0.701 11.268 -6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.115 9.838 -8.547 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.945 9.535 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.533 10.509 -8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.092 12.011 -8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.495 12.817 -8.939 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.802 13.385 -7.860 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.854 11.038 -4.168 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.130 10.057 -3.125 1.00 0.00 C ATOM 1377 C LEU A 97 -2.317 10.466 -2.245 1.00 0.00 C ATOM 1378 O LEU A 97 -3.247 9.683 -2.067 1.00 0.00 O ATOM 1379 CB LEU A 97 0.169 9.814 -2.325 1.00 0.00 C ATOM 1380 CG LEU A 97 0.525 8.312 -2.266 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.860 8.081 -1.569 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.596 7.551 -1.573 1.00 0.00 C ATOM 0 H LEU A 97 -0.011 11.588 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.438 9.115 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.989 10.366 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.052 10.201 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 97 0.631 7.939 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.078 7.013 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.649 8.601 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.809 8.463 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.345 6.491 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.724 7.934 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.524 7.682 -2.130 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.332 11.705 -1.750 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.445 12.286 -0.994 1.00 0.00 C ATOM 1395 C GLU A 98 -4.766 12.262 -1.783 1.00 0.00 C ATOM 1396 O GLU A 98 -5.799 11.916 -1.209 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.127 13.733 -0.590 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.984 13.883 0.420 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.823 15.360 0.828 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -1.067 16.098 0.152 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.454 15.789 1.821 1.00 0.00 O ATOM 0 H GLU A 98 -1.550 12.350 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.571 11.669 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.877 14.299 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.026 14.184 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.186 13.275 1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.055 13.515 -0.015 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.726 12.574 -3.087 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.897 12.543 -3.983 1.00 0.00 C ATOM 1408 C GLU A 99 -6.566 11.162 -4.034 1.00 0.00 C ATOM 1409 O GLU A 99 -7.790 11.062 -4.111 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.464 12.971 -5.396 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.538 12.728 -6.463 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.261 13.530 -7.744 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -5.565 13.015 -8.652 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -6.763 14.676 -7.869 1.00 0.00 O ATOM 0 H GLU A 99 -3.867 12.860 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.637 13.237 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.208 14.030 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.560 12.428 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.580 11.665 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.515 13.004 -6.065 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.773 10.092 -3.978 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.301 8.744 -3.856 1.00 0.00 C ATOM 1421 C ALA A 100 -6.798 8.463 -2.431 1.00 0.00 C ATOM 1422 O ALA A 100 -7.929 8.022 -2.260 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.237 7.761 -4.325 1.00 0.00 C ATOM 0 H ALA A 100 -4.755 10.140 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.178 8.626 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.619 6.744 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.984 7.967 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.346 7.867 -3.707 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.015 8.777 -1.393 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.379 8.472 -0.005 1.00 0.00 C ATOM 1431 C PHE A 101 -7.751 9.051 0.362 1.00 0.00 C ATOM 1432 O PHE A 101 -8.629 8.310 0.818 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.301 8.971 0.961 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.320 7.897 1.400 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.360 7.370 0.505 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.362 7.424 2.726 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.446 6.407 0.959 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.450 6.453 3.172 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.485 5.953 2.281 1.00 0.00 C ATOM 0 H PHE A 101 -5.115 9.248 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.448 7.388 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.748 9.781 0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.784 9.390 1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.331 7.706 -0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.104 7.812 3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.705 6.012 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.490 6.094 4.190 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.771 5.216 2.618 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.976 10.340 0.091 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.271 10.996 0.316 1.00 0.00 C ATOM 1450 C GLU A 102 -10.416 10.357 -0.473 1.00 0.00 C ATOM 1451 O GLU A 102 -11.537 10.262 0.032 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.211 12.502 0.035 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.777 12.920 -1.374 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.913 13.585 -2.169 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.137 14.807 -1.998 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.582 12.901 -2.978 1.00 0.00 O ATOM 0 H GLU A 102 -7.264 10.962 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.485 10.849 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.198 12.924 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.526 12.955 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.937 13.610 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.424 12.043 -1.917 1.00 0.00 H new ATOM 1461 N SER A 103 -10.141 9.873 -1.680 1.00 0.00 N ATOM 1462 CA SER A 103 -11.152 9.236 -2.524 1.00 0.00 C ATOM 1463 C SER A 103 -11.615 7.892 -1.927 1.00 0.00 C ATOM 1464 O SER A 103 -12.804 7.563 -1.985 1.00 0.00 O ATOM 1465 CB SER A 103 -10.597 9.042 -3.947 1.00 0.00 C ATOM 1466 OG SER A 103 -11.591 8.547 -4.831 1.00 0.00 O ATOM 0 H SER A 103 -9.213 9.910 -2.102 1.00 0.00 H new ATOM 0 HA SER A 103 -12.024 9.889 -2.570 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.215 9.992 -4.322 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.756 8.349 -3.919 1.00 0.00 H new ATOM 0 HG SER A 103 -11.207 8.436 -5.726 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.701 7.131 -1.300 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.988 5.780 -0.793 1.00 0.00 C ATOM 1473 C LEU A 104 -11.447 5.784 0.667 1.00 0.00 C ATOM 1474 O LEU A 104 -12.291 4.969 1.042 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.772 4.848 -0.985 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.504 4.360 -2.431 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.794 4.071 -3.212 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.644 5.343 -3.230 1.00 0.00 C ATOM 0 H LEU A 104 -9.743 7.436 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.819 5.394 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.883 5.368 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.907 3.974 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.955 3.426 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.543 3.733 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.363 3.295 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.393 4.979 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.486 4.954 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.152 6.306 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.681 5.470 -2.735 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.940 6.723 1.463 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.357 6.930 2.860 1.00 0.00 C ATOM 1491 C VAL A 105 -12.803 7.461 2.945 1.00 0.00 C ATOM 1492 O VAL A 105 -13.485 7.263 3.951 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.367 7.871 3.579 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.753 9.351 3.478 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.201 7.488 5.047 1.00 0.00 C ATOM 0 H VAL A 105 -10.217 7.374 1.157 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.342 5.965 3.367 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.418 7.744 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.015 9.956 4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.785 9.648 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.734 9.503 3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.497 8.170 5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.166 7.551 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.821 6.469 5.116 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.258 8.135 1.877 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.605 8.674 1.697 1.00 0.00 C ATOM 1507 C GLY A 106 -14.730 10.185 1.912 1.00 0.00 C ATOM 1508 O GLY A 106 -15.808 10.743 1.700 1.00 0.00 O ATOM 0 H GLY A 106 -12.658 8.326 1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.944 8.436 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.279 8.167 2.388 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.650 10.858 2.303 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.600 12.313 2.513 1.00 0.00 C ATOM 1514 C GLU A 107 -13.709 13.112 1.196 1.00 0.00 C ATOM 1515 O GLU A 107 -14.160 14.262 1.204 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.310 12.671 3.277 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.405 12.396 4.784 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.401 13.339 5.484 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -13.077 14.536 5.666 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.503 12.888 5.872 1.00 0.00 O ATOM 0 H GLU A 107 -12.758 10.399 2.489 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.469 12.597 3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.479 12.101 2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.083 13.725 3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.711 11.362 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.420 12.510 5.236 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.381 12.487 0.057 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.587 13.014 -1.302 1.00 0.00 C ATOM 1527 C GLY A 108 -15.052 13.001 -1.740 1.00 0.00 C ATOM 1528 O GLY A 108 -15.380 12.431 -2.773 1.00 0.00 O ATOM 0 H GLY A 108 -12.948 11.564 0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.210 14.036 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.999 12.425 -2.006 1.00 0.00 H new