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 140:sc= 0.663 USER MOD Set 1.2: A 33 HIS : no HE2:sc= 0.783 K(o=1.4,f=-5.7!) USER MOD Set 2.1: A 5 TYR OH : rot 74:sc= 0.468 USER MOD Set 2.2: A 34 CYS SG : rot 70:sc= 0.261 USER MOD Single : A 6 SER OG : rot -122:sc= 0.204 USER MOD Single : A 22 THR OG1 : rot 70:sc= 0.262 USER MOD Single : A 28 THR OG1 : rot 151:sc= 0.562 USER MOD Single : A 35 GLN : amide:sc= 1.13 K(o=1.1,f=-0.043) USER MOD Single : A 38 GLN : amide:sc= 0.144 X(o=0.14,f=0) USER MOD Single : A 46 SER OG : rot 75:sc= 0.682 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0186 USER MOD Single : A 53 HIS : no HE2:sc= -0.199 K(o=-0.2,f=-1.6) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0.961 (180deg=0.924) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.692 K(o=0.69,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 107:sc= 1.3 USER MOD Single : A 93 SER OG : rot 180:sc=-0.00363 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 8.915 -2.831 6.692 1.00 0.00 N ATOM 70 CA TYR A 5 8.207 -3.881 5.937 1.00 0.00 C ATOM 71 C TYR A 5 8.164 -5.246 6.656 1.00 0.00 C ATOM 72 O TYR A 5 8.900 -5.468 7.621 1.00 0.00 O ATOM 73 CB TYR A 5 8.881 -4.017 4.559 1.00 0.00 C ATOM 74 CG TYR A 5 8.384 -3.003 3.552 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.689 -1.639 3.701 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.543 -3.431 2.510 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.172 -0.699 2.796 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.018 -2.489 1.602 1.00 0.00 C ATOM 79 CZ TYR A 5 7.360 -1.125 1.726 1.00 0.00 C ATOM 80 OH TYR A 5 6.929 -0.206 0.819 1.00 0.00 O ATOM 0 HA TYR A 5 7.165 -3.576 5.840 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.959 -3.906 4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.704 -5.021 4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.322 -1.314 4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.300 -4.478 2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.396 0.350 2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.355 -2.810 0.812 1.00 0.00 H new ATOM 0 HH TYR A 5 7.672 0.048 0.233 1.00 0.00 H new ATOM 89 N SER A 6 7.319 -6.161 6.169 1.00 0.00 N ATOM 90 CA SER A 6 7.241 -7.531 6.684 1.00 0.00 C ATOM 91 C SER A 6 7.133 -8.608 5.598 1.00 0.00 C ATOM 92 O SER A 6 6.334 -8.518 4.665 1.00 0.00 O ATOM 93 CB SER A 6 6.042 -7.661 7.624 1.00 0.00 C ATOM 94 OG SER A 6 6.045 -8.936 8.254 1.00 0.00 O ATOM 0 H SER A 6 6.669 -5.972 5.406 1.00 0.00 H new ATOM 0 HA SER A 6 8.182 -7.704 7.206 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.076 -6.875 8.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.116 -7.526 7.065 1.00 0.00 H new ATOM 0 HG SER A 6 5.206 -9.402 8.054 1.00 0.00 H new ATOM 99 N ALA A 7 7.919 -9.678 5.752 1.00 0.00 N ATOM 100 CA ALA A 7 7.823 -10.895 4.949 1.00 0.00 C ATOM 101 C ALA A 7 6.717 -11.850 5.433 1.00 0.00 C ATOM 102 O ALA A 7 6.398 -12.811 4.733 1.00 0.00 O ATOM 103 CB ALA A 7 9.199 -11.572 4.984 1.00 0.00 C ATOM 0 H ALA A 7 8.656 -9.720 6.456 1.00 0.00 H new ATOM 0 HA ALA A 7 7.542 -10.632 3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.169 -12.488 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.947 -10.897 4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.460 -11.813 6.015 1.00 0.00 H new ATOM 109 N GLU A 8 6.115 -11.602 6.603 1.00 0.00 N ATOM 110 CA GLU A 8 5.142 -12.482 7.269 1.00 0.00 C ATOM 111 C GLU A 8 3.681 -12.162 6.880 1.00 0.00 C ATOM 112 O GLU A 8 2.741 -12.444 7.629 1.00 0.00 O ATOM 113 CB GLU A 8 5.356 -12.449 8.799 1.00 0.00 C ATOM 114 CG GLU A 8 6.773 -12.852 9.224 1.00 0.00 C ATOM 115 CD GLU A 8 6.890 -12.926 10.756 1.00 0.00 C ATOM 116 OE1 GLU A 8 6.603 -14.002 11.336 1.00 0.00 O ATOM 117 OE2 GLU A 8 7.265 -11.916 11.395 1.00 0.00 O ATOM 0 H GLU A 8 6.298 -10.750 7.133 1.00 0.00 H new ATOM 0 HA GLU A 8 5.321 -13.498 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.146 -11.444 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.638 -13.118 9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.025 -13.819 8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.492 -12.131 8.835 1.00 0.00 H new ATOM 122 N ALA A 9 3.480 -11.540 5.719 1.00 0.00 N ATOM 123 CA ALA A 9 2.169 -11.166 5.192 1.00 0.00 C ATOM 124 C ALA A 9 1.271 -12.387 4.872 1.00 0.00 C ATOM 125 O ALA A 9 1.784 -13.482 4.595 1.00 0.00 O ATOM 126 CB ALA A 9 2.368 -10.265 3.964 1.00 0.00 C ATOM 0 H ALA A 9 4.247 -11.275 5.102 1.00 0.00 H new ATOM 0 HA ALA A 9 1.633 -10.617 5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.396 -9.979 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.918 -9.370 4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.931 -10.806 3.203 1.00 0.00 H new ATOM 132 N PRO A 10 -0.063 -12.207 4.863 1.00 0.00 N ATOM 133 CA PRO A 10 -1.024 -13.253 4.529 1.00 0.00 C ATOM 134 C PRO A 10 -0.979 -13.648 3.051 1.00 0.00 C ATOM 135 O PRO A 10 -0.495 -12.896 2.207 1.00 0.00 O ATOM 136 CB PRO A 10 -2.390 -12.656 4.887 1.00 0.00 C ATOM 137 CG PRO A 10 -2.181 -11.161 4.688 1.00 0.00 C ATOM 138 CD PRO A 10 -0.761 -10.976 5.202 1.00 0.00 C ATOM 0 HA PRO A 10 -0.804 -14.171 5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.179 -13.041 4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.675 -12.889 5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.279 -10.870 3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.901 -10.568 5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.284 -10.113 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.752 -10.803 6.278 1.00 0.00 H new ATOM 143 N ALA A 11 -1.549 -14.814 2.726 1.00 0.00 N ATOM 144 CA ALA A 11 -1.889 -15.192 1.349 1.00 0.00 C ATOM 145 C ALA A 11 -3.121 -14.416 0.841 1.00 0.00 C ATOM 146 O ALA A 11 -3.916 -13.911 1.638 1.00 0.00 O ATOM 147 CB ALA A 11 -2.103 -16.712 1.294 1.00 0.00 C ATOM 0 H ALA A 11 -1.789 -15.527 3.415 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.068 -14.926 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.357 -17.007 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.189 -17.220 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.916 -16.990 1.965 1.00 0.00 H new ATOM 153 N ARG A 12 -3.327 -14.363 -0.485 1.00 0.00 N ATOM 154 CA ARG A 12 -4.403 -13.568 -1.098 1.00 0.00 C ATOM 155 C ARG A 12 -5.795 -13.989 -0.584 1.00 0.00 C ATOM 156 O ARG A 12 -6.644 -13.138 -0.346 1.00 0.00 O ATOM 157 CB ARG A 12 -4.315 -13.647 -2.640 1.00 0.00 C ATOM 158 CG ARG A 12 -4.494 -12.293 -3.359 1.00 0.00 C ATOM 159 CD ARG A 12 -5.771 -11.507 -3.040 1.00 0.00 C ATOM 160 NE ARG A 12 -6.986 -12.228 -3.453 1.00 0.00 N ATOM 161 CZ ARG A 12 -8.222 -11.943 -3.061 1.00 0.00 C ATOM 162 NH1 ARG A 12 -8.502 -10.952 -2.243 1.00 0.00 N ATOM 163 NH2 ARG A 12 -9.239 -12.657 -3.479 1.00 0.00 N ATOM 0 H ARG A 12 -2.754 -14.869 -1.160 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.265 -12.528 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.347 -14.066 -2.916 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.076 -14.339 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.638 -11.664 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.464 -12.472 -4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.815 -11.308 -1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.736 -10.540 -3.543 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.868 -13.012 -4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.753 -10.363 -1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.469 -10.773 -1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.085 -13.441 -4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.184 -12.428 -3.171 1.00 0.00 H new ATOM 174 N ASP A 13 -6.016 -15.286 -0.329 1.00 0.00 N ATOM 175 CA ASP A 13 -7.269 -15.805 0.235 1.00 0.00 C ATOM 176 C ASP A 13 -7.458 -15.442 1.719 1.00 0.00 C ATOM 177 O ASP A 13 -8.559 -15.089 2.126 1.00 0.00 O ATOM 178 CB ASP A 13 -7.320 -17.329 0.052 1.00 0.00 C ATOM 179 CG ASP A 13 -8.667 -17.933 0.494 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.722 -17.507 -0.030 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.671 -18.824 1.371 1.00 0.00 O ATOM 0 H ASP A 13 -5.322 -16.012 -0.511 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.088 -15.331 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.143 -17.572 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.514 -17.787 0.626 1.00 0.00 H new ATOM 185 N GLU A 14 -6.390 -15.470 2.521 1.00 0.00 N ATOM 186 CA GLU A 14 -6.425 -15.067 3.931 1.00 0.00 C ATOM 187 C GLU A 14 -6.674 -13.552 4.079 1.00 0.00 C ATOM 188 O GLU A 14 -7.324 -13.098 5.024 1.00 0.00 O ATOM 189 CB GLU A 14 -5.084 -15.425 4.588 1.00 0.00 C ATOM 190 CG GLU A 14 -4.787 -16.926 4.630 1.00 0.00 C ATOM 191 CD GLU A 14 -3.434 -17.186 5.309 1.00 0.00 C ATOM 192 OE1 GLU A 14 -2.407 -16.653 4.826 1.00 0.00 O ATOM 193 OE2 GLU A 14 -3.389 -17.930 6.316 1.00 0.00 O ATOM 0 H GLU A 14 -5.469 -15.776 2.208 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.244 -15.595 4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.282 -14.922 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.076 -15.036 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.578 -17.445 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.776 -17.329 3.617 1.00 0.00 H new ATOM 198 N LEU A 15 -6.173 -12.770 3.119 1.00 0.00 N ATOM 199 CA LEU A 15 -6.342 -11.326 2.970 1.00 0.00 C ATOM 200 C LEU A 15 -7.753 -10.974 2.476 1.00 0.00 C ATOM 201 O LEU A 15 -8.307 -9.979 2.928 1.00 0.00 O ATOM 202 CB LEU A 15 -5.184 -10.895 2.043 1.00 0.00 C ATOM 203 CG LEU A 15 -5.055 -9.399 1.732 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.595 -9.064 1.398 1.00 0.00 C ATOM 205 CD2 LEU A 15 -5.912 -8.999 0.528 1.00 0.00 C ATOM 0 H LEU A 15 -5.597 -13.160 2.373 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.281 -10.776 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.249 -11.228 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.291 -11.428 1.098 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.393 -8.854 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.507 -8.000 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.961 -9.312 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.279 -9.642 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.796 -7.932 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.592 -9.562 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.959 -9.218 0.738 1.00 0.00 H new ATOM 216 N ASP A 16 -8.392 -11.806 1.649 1.00 0.00 N ATOM 217 CA ASP A 16 -9.783 -11.644 1.176 1.00 0.00 C ATOM 218 C ASP A 16 -10.816 -11.612 2.323 1.00 0.00 C ATOM 219 O ASP A 16 -11.923 -11.101 2.148 1.00 0.00 O ATOM 220 CB ASP A 16 -10.122 -12.797 0.215 1.00 0.00 C ATOM 221 CG ASP A 16 -11.358 -12.509 -0.649 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.211 -11.739 -1.628 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.432 -13.100 -0.384 1.00 0.00 O ATOM 0 H ASP A 16 -7.945 -12.642 1.273 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.842 -10.680 0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.267 -12.986 -0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.292 -13.706 0.792 1.00 0.00 H new ATOM 227 N ARG A 17 -10.440 -12.133 3.499 1.00 0.00 N ATOM 228 CA ARG A 17 -11.246 -12.107 4.723 1.00 0.00 C ATOM 229 C ARG A 17 -11.323 -10.709 5.363 1.00 0.00 C ATOM 230 O ARG A 17 -12.176 -10.502 6.233 1.00 0.00 O ATOM 231 CB ARG A 17 -10.691 -13.114 5.745 1.00 0.00 C ATOM 232 CG ARG A 17 -10.513 -14.554 5.239 1.00 0.00 C ATOM 233 CD ARG A 17 -11.810 -15.237 4.780 1.00 0.00 C ATOM 234 NE ARG A 17 -11.564 -16.658 4.485 1.00 0.00 N ATOM 235 CZ ARG A 17 -11.150 -17.173 3.333 1.00 0.00 C ATOM 236 NH1 ARG A 17 -11.150 -16.484 2.214 1.00 0.00 N ATOM 237 NH2 ARG A 17 -10.710 -18.408 3.291 1.00 0.00 N ATOM 0 H ARG A 17 -9.541 -12.597 3.627 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.260 -12.385 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.725 -12.751 6.096 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.358 -13.132 6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.808 -14.548 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.065 -15.151 6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.571 -15.146 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.198 -14.737 3.893 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.729 -17.317 5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.476 -15.518 2.210 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.824 -16.916 1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.686 -18.970 4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.391 -18.806 2.408 1.00 0.00 H new ATOM 248 N LEU A 18 -10.451 -9.754 4.988 1.00 0.00 N ATOM 249 CA LEU A 18 -10.490 -8.386 5.548 1.00 0.00 C ATOM 250 C LEU A 18 -11.763 -7.615 5.145 1.00 0.00 C ATOM 251 O LEU A 18 -12.420 -7.981 4.164 1.00 0.00 O ATOM 252 CB LEU A 18 -9.170 -7.628 5.285 1.00 0.00 C ATOM 253 CG LEU A 18 -8.922 -7.022 3.884 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.678 -5.706 3.632 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.421 -6.718 3.740 1.00 0.00 C ATOM 0 H LEU A 18 -9.712 -9.902 4.301 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.564 -8.474 6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.105 -6.817 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.349 -8.313 5.498 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.282 -7.756 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.453 -5.344 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.750 -5.879 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.367 -4.962 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.229 -6.290 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.118 -6.009 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.851 -7.640 3.852 1.00 0.00 H new ATOM 266 N ALA A 19 -12.105 -6.551 5.882 1.00 0.00 N ATOM 267 CA ALA A 19 -13.312 -5.750 5.627 1.00 0.00 C ATOM 268 C ALA A 19 -13.130 -4.222 5.756 1.00 0.00 C ATOM 269 O ALA A 19 -13.828 -3.470 5.071 1.00 0.00 O ATOM 270 CB ALA A 19 -14.411 -6.244 6.576 1.00 0.00 C ATOM 0 H ALA A 19 -11.553 -6.220 6.673 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.577 -5.897 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.321 -5.667 6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.610 -7.299 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.084 -6.118 7.608 1.00 0.00 H new ATOM 276 N GLY A 20 -12.205 -3.737 6.591 1.00 0.00 N ATOM 277 CA GLY A 20 -11.960 -2.299 6.767 1.00 0.00 C ATOM 278 C GLY A 20 -11.096 -1.698 5.646 1.00 0.00 C ATOM 279 O GLY A 20 -10.464 -2.462 4.903 1.00 0.00 O ATOM 0 H GLY A 20 -11.604 -4.329 7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.915 -1.775 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.469 -2.134 7.726 1.00 0.00 H new ATOM 283 N PRO A 21 -11.018 -0.357 5.524 1.00 0.00 N ATOM 284 CA PRO A 21 -10.112 0.310 4.591 1.00 0.00 C ATOM 285 C PRO A 21 -8.668 -0.109 4.889 1.00 0.00 C ATOM 286 O PRO A 21 -8.156 0.173 5.972 1.00 0.00 O ATOM 287 CB PRO A 21 -10.330 1.820 4.789 1.00 0.00 C ATOM 288 CG PRO A 21 -11.706 1.918 5.443 1.00 0.00 C ATOM 289 CD PRO A 21 -11.792 0.631 6.263 1.00 0.00 C ATOM 0 HA PRO A 21 -10.307 0.038 3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.556 2.254 5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.302 2.354 3.839 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.791 2.804 6.073 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.502 1.977 4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.387 0.777 7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.827 0.310 6.381 1.00 0.00 H new ATOM 294 N THR A 22 -8.028 -0.819 3.946 1.00 0.00 N ATOM 295 CA THR A 22 -6.675 -1.374 4.110 1.00 0.00 C ATOM 296 C THR A 22 -5.877 -1.150 2.839 1.00 0.00 C ATOM 297 O THR A 22 -6.252 -1.617 1.769 1.00 0.00 O ATOM 298 CB THR A 22 -6.716 -2.872 4.447 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.504 -3.069 5.598 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.316 -3.414 4.742 1.00 0.00 C ATOM 0 H THR A 22 -8.441 -1.026 3.037 1.00 0.00 H new ATOM 0 HA THR A 22 -6.195 -0.860 4.943 1.00 0.00 H new ATOM 0 HB THR A 22 -7.132 -3.396 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.444 -2.893 5.385 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.379 -4.477 4.977 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.680 -3.273 3.868 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.890 -2.879 5.591 1.00 0.00 H new ATOM 308 N LEU A 23 -4.750 -0.462 2.950 1.00 0.00 N ATOM 309 CA LEU A 23 -3.794 -0.274 1.871 1.00 0.00 C ATOM 310 C LEU A 23 -2.750 -1.397 1.891 1.00 0.00 C ATOM 311 O LEU A 23 -2.077 -1.596 2.903 1.00 0.00 O ATOM 312 CB LEU A 23 -3.178 1.131 2.017 1.00 0.00 C ATOM 313 CG LEU A 23 -2.242 1.517 0.858 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.964 1.386 -0.474 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.682 2.920 1.059 1.00 0.00 C ATOM 0 H LEU A 23 -4.468 -0.007 3.818 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.279 -0.331 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.981 1.865 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.622 1.179 2.953 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.397 0.828 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.288 1.663 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.291 0.355 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.831 2.046 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.023 3.171 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.502 3.637 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.119 2.957 1.992 1.00 0.00 H new ATOM 326 N VAL A 24 -2.603 -2.131 0.787 1.00 0.00 N ATOM 327 CA VAL A 24 -1.610 -3.213 0.630 1.00 0.00 C ATOM 328 C VAL A 24 -0.447 -2.714 -0.223 1.00 0.00 C ATOM 329 O VAL A 24 -0.620 -2.464 -1.416 1.00 0.00 O ATOM 330 CB VAL A 24 -2.227 -4.512 0.056 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.228 -5.675 0.170 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.533 -4.910 0.760 1.00 0.00 C ATOM 0 H VAL A 24 -3.179 -1.993 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.239 -3.478 1.620 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.456 -4.307 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.676 -6.581 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.324 -5.434 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.974 -5.835 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.920 -5.827 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.340 -5.073 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.267 -4.113 0.643 1.00 0.00 H new ATOM 342 N GLU A 25 0.712 -2.546 0.410 1.00 0.00 N ATOM 343 CA GLU A 25 1.912 -1.881 -0.103 1.00 0.00 C ATOM 344 C GLU A 25 3.010 -2.905 -0.408 1.00 0.00 C ATOM 345 O GLU A 25 3.361 -3.724 0.448 1.00 0.00 O ATOM 346 CB GLU A 25 2.343 -0.850 0.959 1.00 0.00 C ATOM 347 CG GLU A 25 3.780 -0.327 0.945 1.00 0.00 C ATOM 348 CD GLU A 25 4.046 0.656 -0.200 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.385 0.187 -1.308 1.00 0.00 O ATOM 350 OE2 GLU A 25 3.957 1.883 0.027 1.00 0.00 O ATOM 0 H GLU A 25 0.849 -2.894 1.359 1.00 0.00 H new ATOM 0 HA GLU A 25 1.713 -1.372 -1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.679 0.010 0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.163 -1.292 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.992 0.164 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.467 -1.169 0.861 1.00 0.00 H new ATOM 355 N PHE A 26 3.563 -2.853 -1.623 1.00 0.00 N ATOM 356 CA PHE A 26 4.564 -3.795 -2.131 1.00 0.00 C ATOM 357 C PHE A 26 5.930 -3.111 -2.326 1.00 0.00 C ATOM 358 O PHE A 26 6.042 -2.106 -3.033 1.00 0.00 O ATOM 359 CB PHE A 26 4.054 -4.387 -3.454 1.00 0.00 C ATOM 360 CG PHE A 26 2.745 -5.138 -3.293 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.759 -6.442 -2.766 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.519 -4.531 -3.622 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.550 -7.127 -2.554 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.312 -5.217 -3.412 1.00 0.00 C ATOM 365 CZ PHE A 26 0.328 -6.510 -2.863 1.00 0.00 C ATOM 0 H PHE A 26 3.319 -2.132 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 26 4.710 -4.593 -1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.921 -3.584 -4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.808 -5.062 -3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.698 -6.917 -2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.506 -3.534 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.562 -8.130 -2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.627 -4.751 -3.672 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.601 -7.030 -2.679 1.00 0.00 H new ATOM 374 N GLY A 27 6.981 -3.687 -1.725 1.00 0.00 N ATOM 375 CA GLY A 27 8.337 -3.130 -1.735 1.00 0.00 C ATOM 376 C GLY A 27 9.245 -3.771 -0.689 1.00 0.00 C ATOM 377 O GLY A 27 9.054 -4.937 -0.349 1.00 0.00 O ATOM 0 H GLY A 27 6.910 -4.565 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.775 -3.268 -2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.286 -2.056 -1.556 1.00 0.00 H new ATOM 381 N THR A 28 10.228 -3.020 -0.177 1.00 0.00 N ATOM 382 CA THR A 28 11.127 -3.396 0.935 1.00 0.00 C ATOM 383 C THR A 28 11.469 -2.151 1.748 1.00 0.00 C ATOM 384 O THR A 28 11.117 -1.041 1.370 1.00 0.00 O ATOM 385 CB THR A 28 12.414 -4.075 0.445 1.00 0.00 C ATOM 386 OG1 THR A 28 13.148 -3.183 -0.364 1.00 0.00 O ATOM 387 CG2 THR A 28 12.134 -5.356 -0.340 1.00 0.00 C ATOM 0 H THR A 28 10.432 -2.089 -0.540 1.00 0.00 H new ATOM 0 HA THR A 28 10.602 -4.121 1.557 1.00 0.00 H new ATOM 0 HB THR A 28 12.991 -4.347 1.329 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.104 -3.387 -0.292 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.076 -5.797 -0.664 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.602 -6.063 0.296 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.524 -5.122 -1.212 1.00 0.00 H new ATOM 395 N ASP A 29 12.173 -2.307 2.865 1.00 0.00 N ATOM 396 CA ASP A 29 12.628 -1.163 3.670 1.00 0.00 C ATOM 397 C ASP A 29 13.895 -0.495 3.092 1.00 0.00 C ATOM 398 O ASP A 29 14.321 0.545 3.598 1.00 0.00 O ATOM 399 CB ASP A 29 12.819 -1.610 5.130 1.00 0.00 C ATOM 400 CG ASP A 29 13.938 -2.648 5.307 1.00 0.00 C ATOM 401 OD1 ASP A 29 13.675 -3.843 5.030 1.00 0.00 O ATOM 402 OD2 ASP A 29 15.055 -2.274 5.742 1.00 0.00 O ATOM 0 H ASP A 29 12.445 -3.216 3.240 1.00 0.00 H new ATOM 0 HA ASP A 29 11.858 -0.392 3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.042 -0.737 5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.883 -2.029 5.500 1.00 0.00 H new ATOM 406 N TRP A 30 14.481 -1.075 2.034 1.00 0.00 N ATOM 407 CA TRP A 30 15.831 -0.760 1.554 1.00 0.00 C ATOM 408 C TRP A 30 15.945 -0.359 0.067 1.00 0.00 C ATOM 409 O TRP A 30 16.963 0.232 -0.298 1.00 0.00 O ATOM 410 CB TRP A 30 16.740 -1.953 1.892 1.00 0.00 C ATOM 411 CG TRP A 30 16.297 -3.315 1.460 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.760 -4.255 2.264 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.387 -3.929 0.137 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.501 -5.399 1.539 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.861 -5.254 0.219 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.873 -3.511 -1.118 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.790 -6.104 -0.891 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.817 -4.359 -2.239 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.266 -5.652 -2.131 1.00 0.00 C ATOM 0 H TRP A 30 14.017 -1.792 1.477 1.00 0.00 H new ATOM 0 HA TRP A 30 16.147 0.147 2.070 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.718 -1.764 1.450 1.00 0.00 H new ATOM 0 HB3 TRP A 30 16.877 -1.973 2.973 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.562 -4.130 3.318 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.093 -6.247 1.932 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.296 -2.523 -1.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.374 -7.096 -0.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.199 -4.017 -3.189 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.210 -6.292 -2.999 1.00 0.00 H new ATOM 429 N CYS A 31 14.943 -0.604 -0.791 1.00 0.00 N ATOM 430 CA CYS A 31 14.986 -0.166 -2.193 1.00 0.00 C ATOM 431 C CYS A 31 14.899 1.367 -2.313 1.00 0.00 C ATOM 432 O CYS A 31 14.178 2.013 -1.545 1.00 0.00 O ATOM 433 CB CYS A 31 13.864 -0.846 -2.989 1.00 0.00 C ATOM 434 SG CYS A 31 13.943 -0.347 -4.745 1.00 0.00 S ATOM 0 H CYS A 31 14.091 -1.104 -0.537 1.00 0.00 H new ATOM 0 HA CYS A 31 15.946 -0.465 -2.613 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.955 -1.929 -2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.895 -0.575 -2.570 1.00 0.00 H new ATOM 0 HG CYS A 31 13.693 -1.375 -5.500 1.00 0.00 H new ATOM 439 N GLY A 32 15.581 1.952 -3.305 1.00 0.00 N ATOM 440 CA GLY A 32 15.561 3.389 -3.609 1.00 0.00 C ATOM 441 C GLY A 32 14.187 3.911 -4.042 1.00 0.00 C ATOM 442 O GLY A 32 13.875 5.066 -3.759 1.00 0.00 O ATOM 0 H GLY A 32 16.181 1.423 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.888 3.942 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.283 3.594 -4.400 1.00 0.00 H new ATOM 446 N HIS A 33 13.331 3.066 -4.627 1.00 0.00 N ATOM 447 CA HIS A 33 11.914 3.388 -4.816 1.00 0.00 C ATOM 448 C HIS A 33 11.230 3.659 -3.469 1.00 0.00 C ATOM 449 O HIS A 33 10.575 4.686 -3.267 1.00 0.00 O ATOM 450 CB HIS A 33 11.197 2.204 -5.482 1.00 0.00 C ATOM 451 CG HIS A 33 11.659 1.802 -6.854 1.00 0.00 C ATOM 452 ND1 HIS A 33 12.201 0.586 -7.195 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.437 2.481 -8.019 1.00 0.00 C ATOM 454 CE1 HIS A 33 12.275 0.522 -8.536 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.822 1.662 -9.092 1.00 0.00 N ATOM 0 H HIS A 33 13.599 2.147 -4.980 1.00 0.00 H new ATOM 0 HA HIS A 33 11.854 4.278 -5.443 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.294 1.339 -4.826 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.135 2.442 -5.540 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.496 -0.142 -6.544 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.033 3.479 -8.100 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.647 -0.327 -9.091 1.00 0.00 H new ATOM 463 N CYS A 34 11.426 2.745 -2.520 1.00 0.00 N ATOM 464 CA CYS A 34 10.856 2.821 -1.184 1.00 0.00 C ATOM 465 C CYS A 34 11.403 3.979 -0.363 1.00 0.00 C ATOM 466 O CYS A 34 10.654 4.542 0.434 1.00 0.00 O ATOM 467 CB CYS A 34 11.114 1.494 -0.478 1.00 0.00 C ATOM 468 SG CYS A 34 9.779 0.370 -0.970 1.00 0.00 S ATOM 0 H CYS A 34 11.999 1.914 -2.666 1.00 0.00 H new ATOM 0 HA CYS A 34 9.787 3.008 -1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.085 1.088 -0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.128 1.628 0.604 1.00 0.00 H new ATOM 0 HG CYS A 34 9.921 0.050 -2.222 1.00 0.00 H new ATOM 473 N GLN A 35 12.658 4.379 -0.532 1.00 0.00 N ATOM 474 CA GLN A 35 13.196 5.497 0.252 1.00 0.00 C ATOM 475 C GLN A 35 12.509 6.827 -0.094 1.00 0.00 C ATOM 476 O GLN A 35 12.491 7.749 0.718 1.00 0.00 O ATOM 477 CB GLN A 35 14.712 5.638 0.054 1.00 0.00 C ATOM 478 CG GLN A 35 15.509 4.360 0.331 1.00 0.00 C ATOM 479 CD GLN A 35 15.084 3.578 1.569 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.228 4.013 2.704 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.526 2.403 1.389 1.00 0.00 N ATOM 0 H GLN A 35 13.315 3.959 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 35 12.992 5.267 1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.904 5.956 -0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.079 6.429 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.427 3.706 -0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.562 4.624 0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.404 2.036 0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.215 1.858 2.193 1.00 0.00 H new ATOM 488 N ALA A 36 11.927 6.898 -1.291 1.00 0.00 N ATOM 489 CA ALA A 36 11.147 8.023 -1.793 1.00 0.00 C ATOM 490 C ALA A 36 9.637 7.885 -1.517 1.00 0.00 C ATOM 491 O ALA A 36 8.983 8.881 -1.201 1.00 0.00 O ATOM 492 CB ALA A 36 11.424 8.140 -3.296 1.00 0.00 C ATOM 0 H ALA A 36 11.991 6.136 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 36 11.451 8.927 -1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.855 8.974 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.488 8.312 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.126 7.217 -3.794 1.00 0.00 H new ATOM 498 N ALA A 37 9.073 6.668 -1.602 1.00 0.00 N ATOM 499 CA ALA A 37 7.633 6.441 -1.423 1.00 0.00 C ATOM 500 C ALA A 37 7.232 6.292 0.053 1.00 0.00 C ATOM 501 O ALA A 37 6.121 6.671 0.427 1.00 0.00 O ATOM 502 CB ALA A 37 7.202 5.221 -2.243 1.00 0.00 C ATOM 0 H ALA A 37 9.603 5.818 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 37 7.109 7.325 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.133 5.052 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.413 5.398 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.752 4.343 -1.906 1.00 0.00 H new ATOM 508 N GLN A 38 8.123 5.787 0.912 1.00 0.00 N ATOM 509 CA GLN A 38 7.854 5.656 2.352 1.00 0.00 C ATOM 510 C GLN A 38 7.572 6.998 3.059 1.00 0.00 C ATOM 511 O GLN A 38 6.529 7.081 3.717 1.00 0.00 O ATOM 512 CB GLN A 38 9.011 4.922 3.035 1.00 0.00 C ATOM 513 CG GLN A 38 8.986 3.405 2.789 1.00 0.00 C ATOM 514 CD GLN A 38 10.196 2.700 3.412 1.00 0.00 C ATOM 515 OE1 GLN A 38 10.079 1.853 4.286 1.00 0.00 O ATOM 516 NE2 GLN A 38 11.397 3.027 2.992 1.00 0.00 N ATOM 0 H GLN A 38 9.047 5.458 0.633 1.00 0.00 H new ATOM 0 HA GLN A 38 6.937 5.074 2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.956 5.328 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.972 5.112 4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.069 2.986 3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.967 3.212 1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.508 3.732 2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.218 2.576 3.394 1.00 0.00 H new ATOM 523 N PRO A 39 8.406 8.058 2.922 1.00 0.00 N ATOM 524 CA PRO A 39 8.105 9.357 3.513 1.00 0.00 C ATOM 525 C PRO A 39 6.919 10.036 2.805 1.00 0.00 C ATOM 526 O PRO A 39 6.290 10.914 3.384 1.00 0.00 O ATOM 527 CB PRO A 39 9.389 10.185 3.393 1.00 0.00 C ATOM 528 CG PRO A 39 10.041 9.616 2.139 1.00 0.00 C ATOM 529 CD PRO A 39 9.675 8.133 2.214 1.00 0.00 C ATOM 0 HA PRO A 39 7.803 9.257 4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.176 11.249 3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.028 10.070 4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.654 10.083 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.120 9.767 2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.589 7.703 1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.446 7.569 2.738 1.00 0.00 H new ATOM 534 N LEU A 40 6.570 9.589 1.585 1.00 0.00 N ATOM 535 CA LEU A 40 5.371 10.042 0.869 1.00 0.00 C ATOM 536 C LEU A 40 4.130 9.567 1.614 1.00 0.00 C ATOM 537 O LEU A 40 3.319 10.397 2.037 1.00 0.00 O ATOM 538 CB LEU A 40 5.378 9.482 -0.569 1.00 0.00 C ATOM 539 CG LEU A 40 5.030 10.452 -1.700 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.794 11.297 -1.383 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.218 11.356 -2.059 1.00 0.00 C ATOM 0 H LEU A 40 7.117 8.900 1.068 1.00 0.00 H new ATOM 0 HA LEU A 40 5.364 11.131 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.369 9.074 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.676 8.649 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 40 4.794 9.835 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.589 11.969 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.937 10.643 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.975 11.882 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.931 12.030 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.509 11.939 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.059 10.741 -2.381 1.00 0.00 H new ATOM 552 N LEU A 41 4.023 8.242 1.822 1.00 0.00 N ATOM 553 CA LEU A 41 2.945 7.610 2.588 1.00 0.00 C ATOM 554 C LEU A 41 2.902 8.249 3.967 1.00 0.00 C ATOM 555 O LEU A 41 1.854 8.735 4.345 1.00 0.00 O ATOM 556 CB LEU A 41 3.089 6.075 2.662 1.00 0.00 C ATOM 557 CG LEU A 41 2.401 5.261 1.538 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.945 5.639 1.292 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.223 5.316 0.247 1.00 0.00 C ATOM 0 H LEU A 41 4.698 7.572 1.454 1.00 0.00 H new ATOM 0 HA LEU A 41 1.998 7.779 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.151 5.831 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.689 5.741 3.619 1.00 0.00 H new ATOM 0 HG LEU A 41 2.368 4.231 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.539 5.022 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.368 5.476 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.885 6.689 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.721 4.738 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.321 6.352 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.213 4.898 0.428 1.00 0.00 H new ATOM 570 N ALA A 42 4.034 8.363 4.659 1.00 0.00 N ATOM 571 CA ALA A 42 4.113 8.992 5.986 1.00 0.00 C ATOM 572 C ALA A 42 3.495 10.409 6.044 1.00 0.00 C ATOM 573 O ALA A 42 2.824 10.744 7.027 1.00 0.00 O ATOM 574 CB ALA A 42 5.577 8.990 6.429 1.00 0.00 C ATOM 0 H ALA A 42 4.932 8.020 4.316 1.00 0.00 H new ATOM 0 HA ALA A 42 3.507 8.407 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.660 9.453 7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.941 7.964 6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.175 9.552 5.712 1.00 0.00 H new ATOM 580 N GLU A 43 3.659 11.221 4.991 1.00 0.00 N ATOM 581 CA GLU A 43 3.053 12.556 4.896 1.00 0.00 C ATOM 582 C GLU A 43 1.533 12.494 4.676 1.00 0.00 C ATOM 583 O GLU A 43 0.796 13.188 5.379 1.00 0.00 O ATOM 584 CB GLU A 43 3.716 13.380 3.779 1.00 0.00 C ATOM 585 CG GLU A 43 5.110 13.882 4.178 1.00 0.00 C ATOM 586 CD GLU A 43 5.049 15.123 5.079 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.866 16.246 4.552 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.209 14.990 6.314 1.00 0.00 O ATOM 0 H GLU A 43 4.219 10.969 4.177 1.00 0.00 H new ATOM 0 HA GLU A 43 3.226 13.048 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.795 12.771 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.082 14.232 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.645 13.086 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.680 14.117 3.279 1.00 0.00 H new ATOM 593 N VAL A 44 1.044 11.669 3.737 1.00 0.00 N ATOM 594 CA VAL A 44 -0.409 11.520 3.496 1.00 0.00 C ATOM 595 C VAL A 44 -1.134 10.868 4.692 1.00 0.00 C ATOM 596 O VAL A 44 -2.131 11.403 5.174 1.00 0.00 O ATOM 597 CB VAL A 44 -0.725 10.807 2.156 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.010 9.509 1.906 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.216 10.503 2.008 1.00 0.00 C ATOM 0 H VAL A 44 1.628 11.094 3.131 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.807 12.530 3.401 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.377 11.534 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.290 9.101 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.084 9.694 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.234 8.795 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.393 10.004 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.538 9.855 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.782 11.434 2.040 1.00 0.00 H new ATOM 609 N PHE A 45 -0.615 9.745 5.201 1.00 0.00 N ATOM 610 CA PHE A 45 -1.212 8.915 6.257 1.00 0.00 C ATOM 611 C PHE A 45 -1.386 9.653 7.594 1.00 0.00 C ATOM 612 O PHE A 45 -2.233 9.262 8.395 1.00 0.00 O ATOM 613 CB PHE A 45 -0.370 7.637 6.478 1.00 0.00 C ATOM 614 CG PHE A 45 -1.145 6.344 6.351 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.202 6.090 7.236 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.816 5.398 5.360 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.955 4.916 7.114 1.00 0.00 C ATOM 618 CE2 PHE A 45 -1.568 4.217 5.243 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.646 3.979 6.114 1.00 0.00 C ATOM 0 H PHE A 45 0.275 9.371 4.873 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.211 8.655 5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.448 7.627 5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.079 7.680 7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.436 6.802 8.014 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.013 5.580 4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.776 4.730 7.791 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.318 3.491 4.483 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.234 3.079 6.014 1.00 0.00 H new ATOM 628 N SER A 46 -0.642 10.735 7.835 1.00 0.00 N ATOM 629 CA SER A 46 -0.792 11.552 9.047 1.00 0.00 C ATOM 630 C SER A 46 -2.192 12.202 9.178 1.00 0.00 C ATOM 631 O SER A 46 -2.583 12.592 10.282 1.00 0.00 O ATOM 632 CB SER A 46 0.294 12.642 9.086 1.00 0.00 C ATOM 633 OG SER A 46 1.587 12.086 9.292 1.00 0.00 O ATOM 0 H SER A 46 0.081 11.071 7.198 1.00 0.00 H new ATOM 0 HA SER A 46 -0.678 10.875 9.894 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.283 13.201 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.071 13.351 9.884 1.00 0.00 H new ATOM 0 HG SER A 46 1.897 11.662 8.464 1.00 0.00 H new ATOM 638 N ASP A 47 -2.966 12.291 8.086 1.00 0.00 N ATOM 639 CA ASP A 47 -4.359 12.772 8.078 1.00 0.00 C ATOM 640 C ASP A 47 -5.414 11.635 8.028 1.00 0.00 C ATOM 641 O ASP A 47 -6.601 11.885 8.230 1.00 0.00 O ATOM 642 CB ASP A 47 -4.522 13.741 6.897 1.00 0.00 C ATOM 643 CG ASP A 47 -5.754 14.652 7.053 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.821 15.399 8.058 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.633 14.661 6.157 1.00 0.00 O ATOM 0 H ASP A 47 -2.634 12.024 7.159 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.548 13.281 9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.627 14.357 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.609 13.171 5.972 1.00 0.00 H new ATOM 649 N TYR A 48 -4.986 10.385 7.798 1.00 0.00 N ATOM 650 CA TYR A 48 -5.850 9.192 7.652 1.00 0.00 C ATOM 651 C TYR A 48 -5.430 7.977 8.521 1.00 0.00 C ATOM 652 O TYR A 48 -5.508 6.840 8.039 1.00 0.00 O ATOM 653 CB TYR A 48 -5.933 8.809 6.161 1.00 0.00 C ATOM 654 CG TYR A 48 -6.221 9.961 5.217 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.522 10.481 5.096 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.170 10.543 4.492 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.769 11.590 4.265 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.397 11.676 3.691 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.696 12.212 3.582 1.00 0.00 C ATOM 660 OH TYR A 48 -6.909 13.328 2.828 1.00 0.00 O ATOM 0 H TYR A 48 -3.995 10.163 7.704 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.834 9.469 8.031 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.991 8.346 5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.711 8.055 6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.335 10.027 5.643 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.179 10.117 4.550 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.775 11.966 4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.577 12.135 3.160 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.062 13.622 2.432 1.00 0.00 H new ATOM 669 N PRO A 49 -5.025 8.146 9.802 1.00 0.00 N ATOM 670 CA PRO A 49 -4.496 7.058 10.632 1.00 0.00 C ATOM 671 C PRO A 49 -5.489 5.912 10.885 1.00 0.00 C ATOM 672 O PRO A 49 -5.062 4.819 11.252 1.00 0.00 O ATOM 673 CB PRO A 49 -4.064 7.718 11.946 1.00 0.00 C ATOM 674 CG PRO A 49 -4.968 8.942 12.049 1.00 0.00 C ATOM 675 CD PRO A 49 -5.071 9.372 10.585 1.00 0.00 C ATOM 0 HA PRO A 49 -3.670 6.572 10.112 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.199 7.047 12.795 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.011 7.998 11.926 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.942 8.698 12.474 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.533 9.721 12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.997 9.917 10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.251 10.038 10.315 1.00 0.00 H new ATOM 680 N GLU A 50 -6.793 6.125 10.652 1.00 0.00 N ATOM 681 CA GLU A 50 -7.822 5.082 10.708 1.00 0.00 C ATOM 682 C GLU A 50 -7.745 4.041 9.567 1.00 0.00 C ATOM 683 O GLU A 50 -8.333 2.965 9.702 1.00 0.00 O ATOM 684 CB GLU A 50 -9.217 5.720 10.777 1.00 0.00 C ATOM 685 CG GLU A 50 -9.627 6.506 9.521 1.00 0.00 C ATOM 686 CD GLU A 50 -11.003 7.152 9.735 1.00 0.00 C ATOM 687 OE1 GLU A 50 -12.036 6.481 9.498 1.00 0.00 O ATOM 688 OE2 GLU A 50 -11.061 8.331 10.158 1.00 0.00 O ATOM 0 H GLU A 50 -7.166 7.044 10.415 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.626 4.517 11.619 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.952 4.935 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.253 6.390 11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.885 7.274 9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.658 5.840 8.659 1.00 0.00 H new ATOM 693 N VAL A 51 -7.026 4.313 8.467 1.00 0.00 N ATOM 694 CA VAL A 51 -6.782 3.338 7.379 1.00 0.00 C ATOM 695 C VAL A 51 -5.690 2.341 7.826 1.00 0.00 C ATOM 696 O VAL A 51 -4.757 2.708 8.541 1.00 0.00 O ATOM 697 CB VAL A 51 -6.418 4.053 6.043 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.188 3.082 4.866 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.540 5.024 5.624 1.00 0.00 C ATOM 0 H VAL A 51 -6.592 5.221 8.301 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.698 2.781 7.182 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.485 4.579 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.939 3.650 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.368 2.406 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.095 2.504 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.267 5.513 4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.468 4.470 5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.679 5.776 6.400 1.00 0.00 H new ATOM 709 N GLY A 52 -5.807 1.068 7.441 1.00 0.00 N ATOM 710 CA GLY A 52 -4.790 0.034 7.694 1.00 0.00 C ATOM 711 C GLY A 52 -3.684 0.067 6.643 1.00 0.00 C ATOM 712 O GLY A 52 -3.937 0.425 5.498 1.00 0.00 O ATOM 0 H GLY A 52 -6.621 0.717 6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.357 0.182 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.262 -0.949 7.696 1.00 0.00 H new ATOM 716 N HIS A 53 -2.458 -0.327 6.987 1.00 0.00 N ATOM 717 CA HIS A 53 -1.341 -0.358 6.030 1.00 0.00 C ATOM 718 C HIS A 53 -0.505 -1.634 6.184 1.00 0.00 C ATOM 719 O HIS A 53 0.172 -1.827 7.201 1.00 0.00 O ATOM 720 CB HIS A 53 -0.464 0.892 6.227 1.00 0.00 C ATOM 721 CG HIS A 53 0.443 1.232 5.061 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.600 1.977 5.130 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.253 0.920 3.742 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.097 2.088 3.884 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.301 1.471 3.007 1.00 0.00 N ATOM 0 H HIS A 53 -2.208 -0.632 7.927 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.750 -0.359 5.020 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.114 1.745 6.423 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.151 0.749 7.116 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.008 2.374 5.976 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.568 0.345 3.340 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.011 2.604 3.629 1.00 0.00 H new ATOM 733 N LEU A 54 -0.532 -2.505 5.172 1.00 0.00 N ATOM 734 CA LEU A 54 0.144 -3.800 5.176 1.00 0.00 C ATOM 735 C LEU A 54 1.343 -3.750 4.220 1.00 0.00 C ATOM 736 O LEU A 54 1.189 -3.750 3.002 1.00 0.00 O ATOM 737 CB LEU A 54 -0.913 -4.880 4.856 1.00 0.00 C ATOM 738 CG LEU A 54 -0.572 -6.345 5.215 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.492 -6.943 4.288 1.00 0.00 C ATOM 740 CD2 LEU A 54 -0.142 -6.525 6.683 1.00 0.00 C ATOM 0 H LEU A 54 -1.038 -2.322 4.306 1.00 0.00 H new ATOM 0 HA LEU A 54 0.570 -4.056 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.834 -4.613 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.125 -4.837 3.788 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.505 -6.890 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.695 -7.972 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.131 -6.925 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.409 -6.358 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.083 -7.575 6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.745 -5.923 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.950 -6.205 7.341 1.00 0.00 H new ATOM 751 N LYS A 55 2.550 -3.677 4.784 1.00 0.00 N ATOM 752 CA LYS A 55 3.801 -3.549 4.027 1.00 0.00 C ATOM 753 C LYS A 55 4.365 -4.937 3.684 1.00 0.00 C ATOM 754 O LYS A 55 5.011 -5.580 4.515 1.00 0.00 O ATOM 755 CB LYS A 55 4.839 -2.759 4.835 1.00 0.00 C ATOM 756 CG LYS A 55 4.598 -1.258 5.009 1.00 0.00 C ATOM 757 CD LYS A 55 3.540 -0.877 6.054 1.00 0.00 C ATOM 758 CE LYS A 55 3.788 -1.486 7.445 1.00 0.00 C ATOM 759 NZ LYS A 55 2.711 -1.117 8.405 1.00 0.00 N ATOM 0 H LYS A 55 2.690 -3.705 5.794 1.00 0.00 H new ATOM 0 HA LYS A 55 3.585 -3.013 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.907 -3.207 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.810 -2.892 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.541 -0.785 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.300 -0.841 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.508 0.209 6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.561 -1.197 5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.846 -2.571 7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.750 -1.143 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.855 -1.625 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.738 -0.092 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.786 -1.376 8.005 1.00 0.00 H new ATOM 769 N VAL A 56 4.140 -5.383 2.457 1.00 0.00 N ATOM 770 CA VAL A 56 4.532 -6.697 1.944 1.00 0.00 C ATOM 771 C VAL A 56 5.950 -6.629 1.397 1.00 0.00 C ATOM 772 O VAL A 56 6.220 -5.941 0.413 1.00 0.00 O ATOM 773 CB VAL A 56 3.573 -7.170 0.829 1.00 0.00 C ATOM 774 CG1 VAL A 56 3.929 -8.597 0.373 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.099 -7.125 1.259 1.00 0.00 C ATOM 0 H VAL A 56 3.659 -4.818 1.758 1.00 0.00 H new ATOM 0 HA VAL A 56 4.483 -7.412 2.765 1.00 0.00 H new ATOM 0 HB VAL A 56 3.700 -6.475 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.241 -8.910 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.949 -8.613 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.849 -9.280 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.470 -7.468 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.952 -7.773 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.828 -6.103 1.522 1.00 0.00 H new ATOM 785 N GLU A 57 6.844 -7.364 2.058 1.00 0.00 N ATOM 786 CA GLU A 57 8.243 -7.463 1.665 1.00 0.00 C ATOM 787 C GLU A 57 8.396 -8.365 0.433 1.00 0.00 C ATOM 788 O GLU A 57 8.171 -9.574 0.498 1.00 0.00 O ATOM 789 CB GLU A 57 9.070 -7.946 2.862 1.00 0.00 C ATOM 790 CG GLU A 57 10.503 -7.458 2.706 1.00 0.00 C ATOM 791 CD GLU A 57 11.407 -7.974 3.833 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.042 -7.830 5.024 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.503 -8.497 3.531 1.00 0.00 O ATOM 0 H GLU A 57 6.612 -7.911 2.887 1.00 0.00 H new ATOM 0 HA GLU A 57 8.620 -6.483 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.643 -7.568 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.047 -9.034 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.897 -7.788 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.517 -6.368 2.699 1.00 0.00 H new ATOM 894 N GLY A 65 2.267 -9.790 -4.643 1.00 0.00 N ATOM 895 CA GLY A 65 2.286 -8.714 -5.644 1.00 0.00 C ATOM 896 C GLY A 65 2.052 -9.207 -7.076 1.00 0.00 C ATOM 897 O GLY A 65 1.396 -8.529 -7.874 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.521 -7.980 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.247 -8.202 -5.597 1.00 0.00 H new ATOM 901 N ARG A 66 2.507 -10.429 -7.393 1.00 0.00 N ATOM 902 CA ARG A 66 2.190 -11.126 -8.648 1.00 0.00 C ATOM 903 C ARG A 66 0.688 -11.462 -8.744 1.00 0.00 C ATOM 904 O ARG A 66 0.062 -11.221 -9.773 1.00 0.00 O ATOM 905 CB ARG A 66 3.074 -12.383 -8.762 1.00 0.00 C ATOM 906 CG ARG A 66 2.907 -13.114 -10.102 1.00 0.00 C ATOM 907 CD ARG A 66 3.807 -14.360 -10.152 1.00 0.00 C ATOM 908 NE ARG A 66 3.639 -15.109 -11.411 1.00 0.00 N ATOM 909 CZ ARG A 66 4.299 -14.927 -12.550 1.00 0.00 C ATOM 910 NH1 ARG A 66 5.213 -13.992 -12.692 1.00 0.00 N ATOM 911 NH2 ARG A 66 4.046 -15.713 -13.576 1.00 0.00 N ATOM 0 H ARG A 66 3.114 -10.968 -6.776 1.00 0.00 H new ATOM 0 HA ARG A 66 2.407 -10.469 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.119 -12.098 -8.637 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.831 -13.067 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.865 -13.405 -10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.159 -12.443 -10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.849 -14.060 -10.045 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.574 -15.010 -9.309 1.00 0.00 H new ATOM 0 HE ARG A 66 2.938 -15.850 -11.407 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.437 -13.375 -11.911 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.698 -13.884 -13.583 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.349 -16.453 -13.492 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.547 -15.582 -14.455 1.00 0.00 H new ATOM 922 N SER A 67 0.073 -11.917 -7.654 1.00 0.00 N ATOM 923 CA SER A 67 -1.365 -12.230 -7.582 1.00 0.00 C ATOM 924 C SER A 67 -2.232 -10.955 -7.644 1.00 0.00 C ATOM 925 O SER A 67 -3.317 -10.973 -8.217 1.00 0.00 O ATOM 926 CB SER A 67 -1.673 -13.011 -6.296 1.00 0.00 C ATOM 927 OG SER A 67 -0.918 -14.214 -6.210 1.00 0.00 O ATOM 0 H SER A 67 0.564 -12.084 -6.776 1.00 0.00 H new ATOM 0 HA SER A 67 -1.612 -12.844 -8.448 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.457 -12.384 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.737 -13.247 -6.261 1.00 0.00 H new ATOM 0 HG SER A 67 -1.141 -14.681 -5.378 1.00 0.00 H new ATOM 932 N PHE A 68 -1.719 -9.824 -7.146 1.00 0.00 N ATOM 933 CA PHE A 68 -2.312 -8.487 -7.253 1.00 0.00 C ATOM 934 C PHE A 68 -2.090 -7.830 -8.627 1.00 0.00 C ATOM 935 O PHE A 68 -2.688 -6.789 -8.901 1.00 0.00 O ATOM 936 CB PHE A 68 -1.724 -7.599 -6.143 1.00 0.00 C ATOM 937 CG PHE A 68 -2.553 -7.559 -4.881 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.340 -8.490 -3.853 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.529 -6.563 -4.722 1.00 0.00 C ATOM 940 CE1 PHE A 68 -3.061 -8.394 -2.650 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.260 -6.466 -3.526 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.017 -7.375 -2.482 1.00 0.00 C ATOM 0 H PHE A 68 -0.837 -9.816 -6.633 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.391 -8.594 -7.139 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.724 -7.957 -5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.614 -6.584 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.619 -9.283 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.720 -5.866 -5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.881 -9.102 -1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.007 -5.695 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.562 -7.292 -1.554 1.00 0.00 H new ATOM 951 N GLN A 69 -1.235 -8.403 -9.479 1.00 0.00 N ATOM 952 CA GLN A 69 -0.825 -7.876 -10.791 1.00 0.00 C ATOM 953 C GLN A 69 -0.148 -6.492 -10.645 1.00 0.00 C ATOM 954 O GLN A 69 -0.469 -5.555 -11.378 1.00 0.00 O ATOM 955 CB GLN A 69 -1.995 -7.849 -11.802 1.00 0.00 C ATOM 956 CG GLN A 69 -2.774 -9.167 -11.956 1.00 0.00 C ATOM 957 CD GLN A 69 -4.208 -9.030 -11.433 1.00 0.00 C ATOM 958 OE1 GLN A 69 -5.120 -8.616 -12.137 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.453 -9.338 -10.179 1.00 0.00 N ATOM 0 H GLN A 69 -0.785 -9.293 -9.264 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.085 -8.562 -11.202 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.694 -7.069 -11.501 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.601 -7.565 -12.778 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.794 -9.460 -13.006 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.261 -9.961 -11.413 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.701 -9.684 -9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.395 -9.231 -9.802 1.00 0.00 H new ATOM 966 N VAL A 70 0.744 -6.342 -9.660 1.00 0.00 N ATOM 967 CA VAL A 70 1.479 -5.095 -9.356 1.00 0.00 C ATOM 968 C VAL A 70 2.172 -4.538 -10.610 1.00 0.00 C ATOM 969 O VAL A 70 2.905 -5.254 -11.295 1.00 0.00 O ATOM 970 CB VAL A 70 2.458 -5.347 -8.185 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.619 -4.344 -8.092 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.680 -5.339 -6.861 1.00 0.00 C ATOM 0 H VAL A 70 0.987 -7.105 -9.029 1.00 0.00 H new ATOM 0 HA VAL A 70 0.776 -4.324 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 70 2.913 -6.318 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.253 -4.599 -7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.208 -4.383 -9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.221 -3.338 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.367 -5.516 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.196 -4.371 -6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.924 -6.124 -6.879 1.00 0.00 H new ATOM 982 N LYS A 71 1.895 -3.267 -10.928 1.00 0.00 N ATOM 983 CA LYS A 71 2.125 -2.694 -12.264 1.00 0.00 C ATOM 984 C LYS A 71 3.555 -2.147 -12.456 1.00 0.00 C ATOM 985 O LYS A 71 4.272 -2.604 -13.348 1.00 0.00 O ATOM 986 CB LYS A 71 1.038 -1.627 -12.527 1.00 0.00 C ATOM 987 CG LYS A 71 0.721 -1.436 -14.021 1.00 0.00 C ATOM 988 CD LYS A 71 -0.468 -2.284 -14.498 1.00 0.00 C ATOM 989 CE LYS A 71 -0.295 -3.792 -14.259 1.00 0.00 C ATOM 990 NZ LYS A 71 -1.471 -4.560 -14.739 1.00 0.00 N ATOM 0 H LYS A 71 1.502 -2.601 -10.262 1.00 0.00 H new ATOM 0 HA LYS A 71 2.044 -3.488 -13.007 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.126 -1.911 -12.003 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.364 -0.675 -12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.508 -0.384 -14.209 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.602 -1.693 -14.609 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.370 -1.947 -13.987 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.621 -2.110 -15.563 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.602 -4.141 -14.771 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.148 -3.978 -13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.320 -5.574 -14.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.323 -4.243 -14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.596 -4.402 -15.759 1.00 0.00 H new ATOM 1000 N LEU A 72 3.972 -1.216 -11.593 1.00 0.00 N ATOM 1001 CA LEU A 72 5.378 -0.912 -11.302 1.00 0.00 C ATOM 1002 C LEU A 72 5.668 -1.400 -9.883 1.00 0.00 C ATOM 1003 O LEU A 72 4.769 -1.450 -9.046 1.00 0.00 O ATOM 1004 CB LEU A 72 5.649 0.600 -11.437 1.00 0.00 C ATOM 1005 CG LEU A 72 7.143 0.955 -11.589 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.674 0.578 -12.986 1.00 0.00 C ATOM 1007 CD2 LEU A 72 7.360 2.451 -11.353 1.00 0.00 C ATOM 0 H LEU A 72 3.323 -0.636 -11.062 1.00 0.00 H new ATOM 0 HA LEU A 72 6.034 -1.414 -12.013 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.105 0.981 -12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.252 1.110 -10.560 1.00 0.00 H new ATOM 0 HG LEU A 72 7.693 0.381 -10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.729 0.842 -13.058 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.557 -0.494 -13.143 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.112 1.119 -13.747 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.418 2.687 -11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.783 3.022 -12.081 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.033 2.712 -10.346 1.00 0.00 H new ATOM 1018 N TRP A 73 6.915 -1.753 -9.586 1.00 0.00 N ATOM 1019 CA TRP A 73 7.282 -2.385 -8.322 1.00 0.00 C ATOM 1020 C TRP A 73 6.821 -1.599 -7.068 1.00 0.00 C ATOM 1021 O TRP A 73 6.202 -2.231 -6.207 1.00 0.00 O ATOM 1022 CB TRP A 73 8.784 -2.632 -8.335 1.00 0.00 C ATOM 1023 CG TRP A 73 9.273 -3.512 -7.244 1.00 0.00 C ATOM 1024 CD1 TRP A 73 9.250 -4.862 -7.250 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.883 -3.129 -5.982 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.812 -5.337 -6.087 1.00 0.00 N ATOM 1027 CE2 TRP A 73 10.265 -4.313 -5.284 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.160 -1.888 -5.371 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.941 -4.270 -4.062 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.812 -1.833 -4.127 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.226 -3.019 -3.485 1.00 0.00 C ATOM 0 H TRP A 73 7.703 -1.608 -10.217 1.00 0.00 H new ATOM 0 HA TRP A 73 6.749 -3.332 -8.242 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.058 -3.075 -9.292 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.298 -1.673 -8.269 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.852 -5.475 -8.045 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.884 -6.326 -5.849 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.869 -0.972 -5.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.240 -5.183 -3.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 10.997 -0.877 -3.660 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.763 -2.967 -2.549 1.00 0.00 H new ATOM 1041 N PRO A 74 7.018 -0.258 -6.964 1.00 0.00 N ATOM 1042 CA PRO A 74 6.409 0.529 -5.905 1.00 0.00 C ATOM 1043 C PRO A 74 4.939 0.829 -6.237 1.00 0.00 C ATOM 1044 O PRO A 74 4.601 1.871 -6.813 1.00 0.00 O ATOM 1045 CB PRO A 74 7.249 1.804 -5.780 1.00 0.00 C ATOM 1046 CG PRO A 74 7.705 2.033 -7.221 1.00 0.00 C ATOM 1047 CD PRO A 74 7.909 0.607 -7.735 1.00 0.00 C ATOM 0 HA PRO A 74 6.397 -0.006 -4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.664 2.641 -5.400 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.092 1.671 -5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.956 2.571 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.624 2.616 -7.268 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.681 0.545 -8.799 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.947 0.298 -7.613 1.00 0.00 H new ATOM 1052 N THR A 75 4.050 -0.091 -5.849 1.00 0.00 N ATOM 1053 CA THR A 75 2.590 0.050 -5.954 1.00 0.00 C ATOM 1054 C THR A 75 1.972 -0.296 -4.618 1.00 0.00 C ATOM 1055 O THR A 75 2.424 -1.204 -3.922 1.00 0.00 O ATOM 1056 CB THR A 75 2.012 -0.869 -7.037 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.448 -0.419 -8.290 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.481 -0.911 -7.122 1.00 0.00 C ATOM 0 H THR A 75 4.333 -0.982 -5.441 1.00 0.00 H new ATOM 0 HA THR A 75 2.359 1.079 -6.231 1.00 0.00 H new ATOM 0 HB THR A 75 2.358 -1.866 -6.765 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.123 -1.036 -8.643 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.179 -1.590 -7.919 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.073 -1.261 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.101 0.088 -7.333 1.00 0.00 H new ATOM 1066 N PHE A 76 0.883 0.401 -4.313 1.00 0.00 N ATOM 1067 CA PHE A 76 0.047 0.135 -3.159 1.00 0.00 C ATOM 1068 C PHE A 76 -1.428 0.144 -3.590 1.00 0.00 C ATOM 1069 O PHE A 76 -1.905 1.081 -4.238 1.00 0.00 O ATOM 1070 CB PHE A 76 0.365 1.100 -2.006 1.00 0.00 C ATOM 1071 CG PHE A 76 0.863 2.455 -2.414 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.210 2.641 -2.787 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.037 3.524 -2.463 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.651 3.898 -3.241 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.420 4.778 -2.875 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.745 4.959 -3.303 1.00 0.00 C ATOM 0 H PHE A 76 0.553 1.184 -4.878 1.00 0.00 H new ATOM 0 HA PHE A 76 0.261 -0.858 -2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.535 1.229 -1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.113 0.636 -1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.905 1.817 -2.724 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.071 3.382 -2.186 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.679 4.041 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.256 5.621 -2.864 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.064 5.919 -3.680 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.123 -0.943 -3.248 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.491 -1.259 -3.678 1.00 0.00 C ATOM 1087 C VAL A 77 -4.447 -1.028 -2.515 1.00 0.00 C ATOM 1088 O VAL A 77 -4.294 -1.632 -1.452 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.586 -2.710 -4.215 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.981 -3.005 -4.781 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.530 -2.966 -5.308 1.00 0.00 C ATOM 0 H VAL A 77 -1.732 -1.660 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.772 -0.600 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.398 -3.375 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.015 -4.030 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.727 -2.877 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.194 -2.318 -5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.619 -3.991 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.690 -2.276 -6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.533 -2.812 -4.894 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.412 -0.126 -2.703 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.406 0.238 -1.692 1.00 0.00 C ATOM 1103 C PHE A 78 -7.550 -0.780 -1.743 1.00 0.00 C ATOM 1104 O PHE A 78 -8.264 -0.896 -2.743 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.915 1.679 -1.901 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.887 2.791 -1.735 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.939 3.004 -2.753 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.826 3.588 -0.566 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.930 3.963 -2.610 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.826 4.580 -0.440 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.882 4.762 -1.466 1.00 0.00 C ATOM 0 H PHE A 78 -5.527 0.382 -3.580 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.948 0.214 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.337 1.750 -2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.729 1.859 -1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.991 2.418 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.542 3.438 0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.188 4.085 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.787 5.198 0.445 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.119 5.520 -1.369 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.725 -1.519 -0.645 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.807 -2.472 -0.434 1.00 0.00 C ATOM 1122 C LEU A 79 -9.812 -1.913 0.586 1.00 0.00 C ATOM 1123 O LEU A 79 -9.456 -1.116 1.456 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.247 -3.825 0.037 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.991 -4.822 -1.099 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.976 -4.342 -2.130 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.538 -6.146 -0.488 1.00 0.00 C ATOM 0 H LEU A 79 -7.089 -1.465 0.151 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.326 -2.630 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.314 -3.654 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.946 -4.269 0.746 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.927 -4.937 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.851 -5.104 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.331 -3.419 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.019 -4.160 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.351 -6.868 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.623 -5.989 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.317 -6.527 0.173 1.00 0.00 H new ATOM 1138 N ARG A 80 -11.057 -2.380 0.501 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.172 -2.056 1.397 1.00 0.00 C ATOM 1140 C ARG A 80 -13.308 -3.053 1.127 1.00 0.00 C ATOM 1141 O ARG A 80 -13.586 -3.374 -0.028 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.607 -0.592 1.175 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.559 -0.053 2.254 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.803 1.448 2.031 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.735 1.985 3.041 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.763 3.223 3.529 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.941 4.169 3.129 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -15.635 3.531 4.462 1.00 0.00 N ATOM 0 H ARG A 80 -11.332 -3.031 -0.235 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.878 -2.144 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.719 0.039 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.093 -0.512 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.505 -0.593 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.133 -0.218 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.856 1.986 2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.209 1.610 1.033 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.434 1.337 3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.242 3.968 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.003 5.103 3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.284 2.824 4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.663 4.477 4.841 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.904 -3.608 2.183 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.894 -4.706 2.137 1.00 0.00 C ATOM 1161 C ASP A 81 -14.318 -6.023 1.557 1.00 0.00 C ATOM 1162 O ASP A 81 -15.053 -6.892 1.094 1.00 0.00 O ATOM 1163 CB ASP A 81 -16.178 -4.243 1.414 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.404 -5.114 1.730 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.735 -5.292 2.926 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -18.071 -5.564 0.769 1.00 0.00 O ATOM 0 H ASP A 81 -13.709 -3.299 3.135 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.160 -4.950 3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.392 -3.212 1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.003 -4.251 0.338 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.986 -6.150 1.543 1.00 0.00 N ATOM 1171 CA GLY A 82 -12.230 -7.298 1.025 1.00 0.00 C ATOM 1172 C GLY A 82 -11.880 -7.212 -0.463 1.00 0.00 C ATOM 1173 O GLY A 82 -11.061 -8.005 -0.930 1.00 0.00 O ATOM 0 H GLY A 82 -12.376 -5.420 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.307 -7.396 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.809 -8.205 1.197 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.461 -6.257 -1.204 1.00 0.00 N ATOM 1178 CA ARG A 83 -12.207 -6.013 -2.628 1.00 0.00 C ATOM 1179 C ARG A 83 -11.315 -4.792 -2.824 1.00 0.00 C ATOM 1180 O ARG A 83 -11.267 -3.886 -1.988 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.533 -5.811 -3.384 1.00 0.00 C ATOM 1182 CG ARG A 83 -14.299 -7.140 -3.495 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.674 -7.020 -4.175 1.00 0.00 C ATOM 1184 NE ARG A 83 -16.522 -5.954 -3.598 1.00 0.00 N ATOM 1185 CZ ARG A 83 -17.049 -5.915 -2.378 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -16.875 -6.874 -1.496 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -17.773 -4.890 -1.994 1.00 0.00 N ATOM 0 H ARG A 83 -13.146 -5.611 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.694 -6.887 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.146 -5.074 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.334 -5.415 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.691 -7.852 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.435 -7.553 -2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.530 -6.825 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.196 -7.973 -4.094 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.725 -5.159 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.315 -7.692 -1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.299 -6.800 -0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.936 -4.113 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.172 -4.871 -1.056 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.615 -4.775 -3.949 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.872 -3.596 -4.423 1.00 0.00 C ATOM 1200 C GLU A 84 -10.861 -2.480 -4.800 1.00 0.00 C ATOM 1201 O GLU A 84 -11.766 -2.690 -5.608 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.924 -3.960 -5.579 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.314 -2.728 -6.275 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.301 -3.069 -7.381 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -7.035 -4.263 -7.660 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.745 -2.131 -7.994 1.00 0.00 O ATOM 0 H GLU A 84 -10.540 -5.581 -4.570 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.238 -3.224 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.120 -4.588 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.469 -4.552 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.119 -2.132 -6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.823 -2.107 -5.526 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.656 -1.298 -4.219 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.390 -0.061 -4.553 1.00 0.00 C ATOM 1213 C VAL A 85 -10.571 0.882 -5.444 1.00 0.00 C ATOM 1214 O VAL A 85 -11.148 1.693 -6.164 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.850 0.690 -3.285 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.996 -0.070 -2.617 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.736 0.923 -2.246 1.00 0.00 C ATOM 0 H VAL A 85 -9.961 -1.163 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.270 -0.377 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.171 1.674 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.315 0.466 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.833 -0.150 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.658 -1.069 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.145 1.456 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.336 -0.037 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.938 1.515 -2.695 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.238 0.747 -5.428 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.279 1.531 -6.209 1.00 0.00 C ATOM 1229 C ALA A 86 -6.864 0.984 -6.041 1.00 0.00 C ATOM 1230 O ALA A 86 -6.620 0.101 -5.218 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.317 2.986 -5.717 1.00 0.00 C ATOM 0 H ALA A 86 -8.779 0.052 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.550 1.473 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.607 3.583 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.321 3.389 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.050 3.020 -4.661 1.00 0.00 H new ATOM 1237 N ARG A 87 -5.906 1.602 -6.728 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.480 1.507 -6.418 1.00 0.00 C ATOM 1239 C ARG A 87 -3.731 2.750 -6.884 1.00 0.00 C ATOM 1240 O ARG A 87 -4.195 3.458 -7.783 1.00 0.00 O ATOM 1241 CB ARG A 87 -3.894 0.215 -6.992 1.00 0.00 C ATOM 1242 CG ARG A 87 -3.906 0.143 -8.524 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.177 -1.128 -8.934 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.002 -2.324 -8.712 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.606 -3.580 -8.847 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.397 -3.905 -9.242 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.429 -4.562 -8.576 1.00 0.00 N ATOM 0 H ARG A 87 -6.103 2.196 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.358 1.463 -5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.867 0.109 -6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.454 -0.632 -6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.930 0.134 -8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.418 1.019 -8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.902 -1.066 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.250 -1.215 -8.367 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.970 -2.172 -8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.718 -3.175 -9.459 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.137 -4.887 -9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.378 -4.360 -8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.121 -5.529 -8.681 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.565 2.994 -6.297 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.637 4.058 -6.721 1.00 0.00 C ATOM 1260 C VAL A 88 -0.310 3.398 -7.098 1.00 0.00 C ATOM 1261 O VAL A 88 0.283 2.688 -6.289 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.464 5.107 -5.602 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.335 6.113 -5.899 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.741 5.912 -5.303 1.00 0.00 C ATOM 0 H VAL A 88 -2.225 2.455 -5.501 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.032 4.592 -7.585 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.211 4.507 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.259 6.827 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.609 5.579 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.556 6.646 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.541 6.629 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.053 6.445 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.534 5.233 -4.990 1.00 0.00 H new ATOM 1274 N VAL A 89 0.129 3.635 -8.336 1.00 0.00 N ATOM 1275 CA VAL A 89 1.384 3.123 -8.927 1.00 0.00 C ATOM 1276 C VAL A 89 2.340 4.305 -9.094 1.00 0.00 C ATOM 1277 O VAL A 89 1.975 5.286 -9.743 1.00 0.00 O ATOM 1278 CB VAL A 89 1.125 2.482 -10.315 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.411 1.955 -10.979 1.00 0.00 C ATOM 1280 CG2 VAL A 89 0.073 1.355 -10.260 1.00 0.00 C ATOM 0 H VAL A 89 -0.398 4.214 -8.989 1.00 0.00 H new ATOM 0 HA VAL A 89 1.806 2.360 -8.273 1.00 0.00 H new ATOM 0 HB VAL A 89 0.732 3.292 -10.929 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.168 1.518 -11.947 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.112 2.778 -11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.865 1.196 -10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.070 0.941 -11.258 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.416 0.569 -9.587 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.872 1.757 -9.895 1.00 0.00 H new ATOM 1290 N ARG A 90 3.537 4.226 -8.495 1.00 0.00 N ATOM 1291 CA ARG A 90 4.603 5.245 -8.542 1.00 0.00 C ATOM 1292 C ARG A 90 4.109 6.660 -8.114 1.00 0.00 C ATOM 1293 O ARG A 90 3.742 7.463 -8.980 1.00 0.00 O ATOM 1294 CB ARG A 90 5.259 5.255 -9.938 1.00 0.00 C ATOM 1295 CG ARG A 90 6.624 5.975 -9.891 1.00 0.00 C ATOM 1296 CD ARG A 90 7.245 6.119 -11.279 1.00 0.00 C ATOM 1297 NE ARG A 90 8.594 6.711 -11.191 1.00 0.00 N ATOM 1298 CZ ARG A 90 9.514 6.718 -12.152 1.00 0.00 C ATOM 1299 NH1 ARG A 90 9.294 6.175 -13.336 1.00 0.00 N ATOM 1300 NH2 ARG A 90 10.690 7.262 -11.930 1.00 0.00 N ATOM 0 H ARG A 90 3.803 3.414 -7.938 1.00 0.00 H new ATOM 0 HA ARG A 90 5.358 4.970 -7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.393 4.232 -10.290 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.603 5.754 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.498 6.962 -9.447 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.304 5.420 -9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.302 5.142 -11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.608 6.745 -11.904 1.00 0.00 H new ATOM 0 HE ARG A 90 8.845 7.158 -10.309 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.397 5.733 -13.536 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.021 6.198 -14.051 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.896 7.678 -11.022 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.396 7.268 -12.666 1.00 0.00 H new ATOM 1311 N PRO A 91 4.086 6.995 -6.805 1.00 0.00 N ATOM 1312 CA PRO A 91 3.599 8.292 -6.329 1.00 0.00 C ATOM 1313 C PRO A 91 4.496 9.430 -6.844 1.00 0.00 C ATOM 1314 O PRO A 91 5.699 9.435 -6.582 1.00 0.00 O ATOM 1315 CB PRO A 91 3.604 8.201 -4.807 1.00 0.00 C ATOM 1316 CG PRO A 91 4.641 7.125 -4.484 1.00 0.00 C ATOM 1317 CD PRO A 91 4.542 6.179 -5.684 1.00 0.00 C ATOM 0 HA PRO A 91 2.598 8.515 -6.698 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.871 9.156 -4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.620 7.930 -4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.641 7.546 -4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.415 6.614 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.508 5.723 -5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.843 5.367 -5.483 1.00 0.00 H new ATOM 1322 N GLY A 92 3.908 10.381 -7.575 1.00 0.00 N ATOM 1323 CA GLY A 92 4.638 11.514 -8.163 1.00 0.00 C ATOM 1324 C GLY A 92 4.890 12.662 -7.175 1.00 0.00 C ATOM 1325 O GLY A 92 5.899 13.359 -7.279 1.00 0.00 O ATOM 0 H GLY A 92 2.908 10.389 -7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.595 11.159 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.075 11.896 -9.015 1.00 0.00 H new ATOM 1329 N SER A 93 3.985 12.834 -6.212 1.00 0.00 N ATOM 1330 CA SER A 93 4.025 13.814 -5.118 1.00 0.00 C ATOM 1331 C SER A 93 2.848 13.566 -4.163 1.00 0.00 C ATOM 1332 O SER A 93 1.882 12.878 -4.514 1.00 0.00 O ATOM 1333 CB SER A 93 3.973 15.254 -5.647 1.00 0.00 C ATOM 1334 OG SER A 93 4.209 16.189 -4.603 1.00 0.00 O ATOM 0 H SER A 93 3.146 12.255 -6.169 1.00 0.00 H new ATOM 0 HA SER A 93 4.968 13.689 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.718 15.384 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.999 15.445 -6.098 1.00 0.00 H new ATOM 0 HG SER A 93 4.173 17.099 -4.965 1.00 0.00 H new ATOM 1339 N ALA A 94 2.883 14.152 -2.960 1.00 0.00 N ATOM 1340 CA ALA A 94 1.812 14.052 -1.970 1.00 0.00 C ATOM 1341 C ALA A 94 0.460 14.505 -2.529 1.00 0.00 C ATOM 1342 O ALA A 94 -0.556 13.902 -2.207 1.00 0.00 O ATOM 1343 CB ALA A 94 2.230 14.863 -0.740 1.00 0.00 C ATOM 0 H ALA A 94 3.671 14.718 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 94 1.669 13.008 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.447 14.806 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.157 14.457 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.383 15.904 -1.025 1.00 0.00 H new ATOM 1349 N SER A 95 0.424 15.467 -3.451 1.00 0.00 N ATOM 1350 CA SER A 95 -0.802 15.880 -4.146 1.00 0.00 C ATOM 1351 C SER A 95 -1.489 14.739 -4.926 1.00 0.00 C ATOM 1352 O SER A 95 -2.711 14.746 -5.050 1.00 0.00 O ATOM 1353 CB SER A 95 -0.469 17.039 -5.095 1.00 0.00 C ATOM 1354 OG SER A 95 0.584 16.691 -5.993 1.00 0.00 O ATOM 0 H SER A 95 1.251 15.988 -3.741 1.00 0.00 H new ATOM 0 HA SER A 95 -1.514 16.191 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.358 17.313 -5.663 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.179 17.915 -4.514 1.00 0.00 H new ATOM 0 HG SER A 95 0.772 17.448 -6.586 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.748 13.734 -5.397 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.274 12.536 -6.077 1.00 0.00 C ATOM 1361 C VAL A 96 -1.673 11.468 -5.049 1.00 0.00 C ATOM 1362 O VAL A 96 -2.733 10.851 -5.175 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.233 11.958 -7.070 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.791 10.753 -7.840 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.245 13.012 -8.079 1.00 0.00 C ATOM 0 H VAL A 96 0.269 13.726 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.159 12.831 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 96 0.614 11.637 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.032 10.376 -8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.066 9.967 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.671 11.059 -8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.973 12.564 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.606 13.378 -8.653 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.708 13.843 -7.546 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.846 11.255 -4.018 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.100 10.238 -2.996 1.00 0.00 C ATOM 1377 C LEU A 97 -2.301 10.610 -2.104 1.00 0.00 C ATOM 1378 O LEU A 97 -3.222 9.814 -1.948 1.00 0.00 O ATOM 1379 CB LEU A 97 0.202 9.979 -2.199 1.00 0.00 C ATOM 1380 CG LEU A 97 0.576 8.479 -2.195 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.898 8.229 -1.482 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.560 7.689 -1.550 1.00 0.00 C ATOM 0 H LEU A 97 0.015 11.782 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.386 9.303 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.017 10.557 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.077 10.326 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 97 0.712 8.145 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.126 7.163 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.693 8.779 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.823 8.566 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.307 6.629 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.708 8.035 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.477 7.839 -2.120 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.335 11.840 -1.586 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.453 12.381 -0.807 1.00 0.00 C ATOM 1395 C GLU A 98 -4.781 12.370 -1.588 1.00 0.00 C ATOM 1396 O GLU A 98 -5.810 12.012 -1.017 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.150 13.822 -0.362 1.00 0.00 C ATOM 1398 CG GLU A 98 -2.012 13.970 0.660 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.872 15.434 1.096 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -2.571 15.853 2.048 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -1.064 16.181 0.493 1.00 0.00 O ATOM 0 H GLU A 98 -1.568 12.503 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.566 11.731 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.902 14.412 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.057 14.251 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.211 13.343 1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.075 13.623 0.224 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.757 12.725 -2.886 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.929 12.712 -3.779 1.00 0.00 C ATOM 1408 C GLU A 99 -6.589 11.328 -3.852 1.00 0.00 C ATOM 1409 O GLU A 99 -7.812 11.215 -3.936 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.508 13.169 -5.186 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.576 12.927 -6.263 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.289 13.739 -7.534 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.733 14.909 -7.624 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.642 13.205 -8.466 1.00 0.00 O ATOM 0 H GLU A 99 -3.904 13.035 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.667 13.400 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.270 14.232 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.595 12.646 -5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.612 11.866 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.557 13.197 -5.871 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.786 10.265 -3.810 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.307 8.914 -3.720 1.00 0.00 C ATOM 1421 C ALA A 100 -6.793 8.600 -2.302 1.00 0.00 C ATOM 1422 O ALA A 100 -7.920 8.144 -2.141 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.221 7.965 -4.206 1.00 0.00 C ATOM 0 H ALA A 100 -4.768 10.321 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.186 8.795 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.583 6.938 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.964 8.204 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.336 8.072 -3.578 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.006 8.893 -1.260 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.374 8.565 0.122 1.00 0.00 C ATOM 1431 C PHE A 101 -7.750 9.134 0.503 1.00 0.00 C ATOM 1432 O PHE A 101 -8.615 8.382 0.955 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.291 9.045 1.084 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.298 7.966 1.490 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.332 7.471 0.588 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.337 7.458 2.804 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.404 6.510 1.019 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.418 6.489 3.223 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.443 6.024 2.330 1.00 0.00 C ATOM 0 H PHE A 101 -5.104 9.360 -1.350 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.452 7.480 0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.747 9.868 0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.767 9.442 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.307 7.830 -0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.084 7.820 3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.654 6.143 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.460 6.101 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.721 5.289 2.655 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.987 10.424 0.257 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.282 11.079 0.502 1.00 0.00 C ATOM 1450 C GLU A 102 -10.440 10.438 -0.286 1.00 0.00 C ATOM 1451 O GLU A 102 -11.565 10.353 0.212 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.232 12.584 0.215 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.803 13.002 -1.195 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.945 13.674 -1.980 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.716 12.970 -2.676 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.069 14.919 -1.911 1.00 0.00 O ATOM 0 H GLU A 102 -7.280 11.054 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.479 10.931 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.221 13.000 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.549 13.044 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.959 13.689 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.457 12.125 -1.742 1.00 0.00 H new ATOM 1461 N SER A 103 -10.159 9.945 -1.490 1.00 0.00 N ATOM 1462 CA SER A 103 -11.165 9.293 -2.330 1.00 0.00 C ATOM 1463 C SER A 103 -11.549 7.894 -1.812 1.00 0.00 C ATOM 1464 O SER A 103 -12.706 7.478 -1.937 1.00 0.00 O ATOM 1465 CB SER A 103 -10.663 9.222 -3.777 1.00 0.00 C ATOM 1466 OG SER A 103 -11.676 8.784 -4.671 1.00 0.00 O ATOM 0 H SER A 103 -9.231 9.985 -1.911 1.00 0.00 H new ATOM 0 HA SER A 103 -12.072 9.896 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.307 10.205 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.812 8.543 -3.833 1.00 0.00 H new ATOM 0 HG SER A 103 -11.317 8.754 -5.582 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.610 7.172 -1.175 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.827 5.793 -0.712 1.00 0.00 C ATOM 1473 C LEU A 104 -11.201 5.710 0.771 1.00 0.00 C ATOM 1474 O LEU A 104 -11.895 4.778 1.173 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.598 4.922 -1.035 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.413 4.512 -2.515 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.743 4.229 -3.235 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.634 5.546 -3.329 1.00 0.00 C ATOM 0 H LEU A 104 -9.678 7.531 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.687 5.403 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.705 5.460 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.655 4.014 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.835 3.589 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.544 3.947 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.264 3.415 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.364 5.124 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.537 5.201 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.166 6.497 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.642 5.678 -2.896 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.798 6.698 1.567 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.229 6.863 2.960 1.00 0.00 C ATOM 1491 C VAL A 105 -12.695 7.339 3.031 1.00 0.00 C ATOM 1492 O VAL A 105 -13.387 7.041 4.001 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.272 7.825 3.709 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.678 9.292 3.558 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.154 7.458 5.186 1.00 0.00 C ATOM 0 H VAL A 105 -10.150 7.423 1.259 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.183 5.895 3.458 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.295 7.706 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.974 9.922 4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.669 9.565 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.680 9.436 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.475 8.153 5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.136 7.515 5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.766 6.444 5.279 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.170 8.045 1.991 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.525 8.594 1.881 1.00 0.00 C ATOM 1507 C GLY A 106 -14.658 10.062 2.313 1.00 0.00 C ATOM 1508 O GLY A 106 -15.776 10.500 2.595 1.00 0.00 O ATOM 0 H GLY A 106 -12.596 8.255 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.857 8.502 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.198 7.988 2.487 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.559 10.814 2.375 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.541 12.244 2.734 1.00 0.00 C ATOM 1514 C GLU A 107 -13.766 13.181 1.532 1.00 0.00 C ATOM 1515 O GLU A 107 -14.170 14.333 1.726 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.210 12.578 3.425 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.217 12.263 4.930 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.062 13.271 5.725 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -12.584 14.405 5.977 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.202 12.932 6.123 1.00 0.00 O ATOM 0 H GLU A 107 -12.631 10.443 2.173 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.377 12.414 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.408 12.017 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -11.988 13.636 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.608 11.258 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.194 12.270 5.307 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.547 12.705 0.300 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.794 13.479 -0.922 1.00 0.00 C ATOM 1527 C GLY A 108 -15.277 13.554 -1.293 1.00 0.00 C ATOM 1528 O GLY A 108 -15.980 12.543 -1.302 1.00 0.00 O ATOM 0 H GLY A 108 -13.191 11.766 0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.407 14.489 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.241 13.031 -1.747 1.00 0.00 H new