USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 LYS NZ :NH3+ 171:sc= 1.13 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot 130:sc= 0.922 USER MOD Set 2.1: A 15 ASN : amide:sc= -5.04! C(o=-31!,f=-16!) USER MOD Set 2.2: A 16 GLN : amide:sc= -11.9! K(o=-31!,f=-16) USER MOD Set 2.3: A 27 GLN : amide:sc= -13.7! C(o=-31!,f=-16!) USER MOD Set 3.1: A 3 LYS NZ :NH3+ -174:sc= 1.11 (180deg=0) USER MOD Set 3.2: A 44 THR OG1 : rot -170:sc= -2.2! USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.046 (180deg=-0.262) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -154:sc= -0.0383 (180deg=-0.397) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -147:sc= -0.474 (180deg=-1.58!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -5.59! K(o=-5.6!,f=-0.65) USER MOD Single : A 55 THR OG1 : rot 138:sc= 0.261 USER MOD Single : A 56 GLN : amide:sc= -9.75! C(o=-9.7!,f=-5.2!) USER MOD Single : A 60 THR OG1 : rot 66:sc= -1.85! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -6.888 8.623 7.251 1.00 0.00 N ATOM 21 CA ARG A 2 -6.726 7.568 8.245 1.00 0.00 C ATOM 22 C ARG A 2 -7.025 6.199 7.647 1.00 0.00 C ATOM 23 O ARG A 2 -7.699 5.372 8.265 1.00 0.00 O ATOM 24 CB ARG A 2 -7.636 7.827 9.447 1.00 0.00 C ATOM 25 CG ARG A 2 -7.286 9.093 10.210 1.00 0.00 C ATOM 26 CD ARG A 2 -8.234 9.312 11.391 1.00 0.00 C ATOM 27 NE ARG A 2 -9.621 9.455 10.956 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.638 9.654 11.789 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.425 9.730 13.097 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.871 9.776 11.315 1.00 0.00 N ATOM 0 HA ARG A 2 -5.688 7.575 8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -8.668 7.893 9.104 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.579 6.976 10.126 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.260 9.030 10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.335 9.950 9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.155 8.472 12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.931 10.204 11.939 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.821 9.399 9.957 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.479 9.636 13.466 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.208 9.883 13.733 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.039 9.717 10.311 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.651 9.929 11.955 1.00 0.00 H new ATOM 44 N LYS A 3 -6.513 5.959 6.445 1.00 0.00 N ATOM 45 CA LYS A 3 -6.718 4.684 5.769 1.00 0.00 C ATOM 46 C LYS A 3 -5.480 3.807 5.930 1.00 0.00 C ATOM 47 O LYS A 3 -4.730 3.579 4.977 1.00 0.00 O ATOM 48 CB LYS A 3 -7.028 4.913 4.291 1.00 0.00 C ATOM 49 CG LYS A 3 -7.741 3.742 3.644 1.00 0.00 C ATOM 50 CD LYS A 3 -8.418 4.150 2.349 1.00 0.00 C ATOM 51 CE LYS A 3 -9.194 2.992 1.750 1.00 0.00 C ATOM 52 NZ LYS A 3 -9.888 3.377 0.491 1.00 0.00 N ATOM 0 H LYS A 3 -5.953 6.630 5.919 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.568 4.173 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.644 5.807 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.098 5.105 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.026 2.944 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.484 3.341 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.092 4.986 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.669 4.497 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.513 2.164 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.927 2.634 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.487 2.590 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.480 4.214 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.183 3.597 -0.241 1.00 0.00 H new ATOM 66 N LYS A 4 -5.268 3.332 7.156 1.00 0.00 N ATOM 67 CA LYS A 4 -4.120 2.495 7.476 1.00 0.00 C ATOM 68 C LYS A 4 -4.479 1.007 7.466 1.00 0.00 C ATOM 69 O LYS A 4 -5.141 0.518 8.383 1.00 0.00 O ATOM 70 CB LYS A 4 -3.537 2.879 8.842 1.00 0.00 C ATOM 71 CG LYS A 4 -4.574 2.981 9.965 1.00 0.00 C ATOM 72 CD LYS A 4 -5.330 4.301 9.911 1.00 0.00 C ATOM 73 CE LYS A 4 -6.345 4.414 11.037 1.00 0.00 C ATOM 74 NZ LYS A 4 -5.704 4.303 12.376 1.00 0.00 N ATOM 0 H LYS A 4 -5.884 3.516 7.948 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.371 2.666 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.786 2.141 9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.024 3.836 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.279 2.154 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.077 2.885 10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.623 5.128 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.840 4.390 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.866 5.369 10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.096 3.632 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.367 4.633 13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.453 3.311 12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.844 4.888 12.399 1.00 0.00 H new ATOM 88 N LEU A 5 -4.033 0.283 6.436 1.00 0.00 N ATOM 89 CA LEU A 5 -4.304 -1.140 6.335 1.00 0.00 C ATOM 90 C LEU A 5 -3.068 -1.872 5.827 1.00 0.00 C ATOM 91 O LEU A 5 -2.499 -1.505 4.798 1.00 0.00 O ATOM 92 CB LEU A 5 -5.493 -1.408 5.404 1.00 0.00 C ATOM 93 CG LEU A 5 -5.258 -1.073 3.924 1.00 0.00 C ATOM 94 CD1 LEU A 5 -6.461 -1.490 3.085 1.00 0.00 C ATOM 95 CD2 LEU A 5 -4.977 0.410 3.740 1.00 0.00 C ATOM 0 H LEU A 5 -3.484 0.664 5.665 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.558 -1.510 7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.764 -2.461 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.348 -0.832 5.758 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.385 -1.631 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.277 -1.245 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.619 -2.564 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.348 -0.959 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.814 0.621 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.828 0.989 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.087 0.685 4.306 1.00 0.00 H new ATOM 107 N ASP A 6 -2.649 -2.904 6.553 1.00 0.00 N ATOM 108 CA ASP A 6 -1.475 -3.673 6.162 1.00 0.00 C ATOM 109 C ASP A 6 -1.614 -4.131 4.705 1.00 0.00 C ATOM 110 O ASP A 6 -2.709 -4.496 4.277 1.00 0.00 O ATOM 111 CB ASP A 6 -1.310 -4.888 7.081 1.00 0.00 C ATOM 112 CG ASP A 6 -0.036 -5.666 6.807 1.00 0.00 C ATOM 113 OD1 ASP A 6 0.752 -5.234 5.939 1.00 0.00 O ATOM 114 OD2 ASP A 6 0.178 -6.704 7.468 1.00 0.00 O ATOM 0 H ASP A 6 -3.102 -3.225 7.409 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.591 -3.041 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.310 -4.555 8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.168 -5.550 6.958 1.00 0.00 H new ATOM 119 N LEU A 7 -0.519 -4.114 3.939 1.00 0.00 N ATOM 120 CA LEU A 7 -0.581 -4.537 2.540 1.00 0.00 C ATOM 121 C LEU A 7 -1.034 -5.979 2.459 1.00 0.00 C ATOM 122 O LEU A 7 -1.958 -6.302 1.724 1.00 0.00 O ATOM 123 CB LEU A 7 0.780 -4.412 1.843 1.00 0.00 C ATOM 124 CG LEU A 7 0.754 -3.758 0.451 1.00 0.00 C ATOM 125 CD1 LEU A 7 -0.306 -4.393 -0.436 1.00 0.00 C ATOM 126 CD2 LEU A 7 0.507 -2.262 0.572 1.00 0.00 C ATOM 0 H LEU A 7 0.404 -3.818 4.257 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.291 -3.882 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.445 -3.834 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.213 -5.408 1.749 1.00 0.00 H new ATOM 0 HG LEU A 7 1.727 -3.921 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.300 -3.910 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.092 -5.455 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.287 -4.270 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.492 -1.814 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.451 -2.090 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.303 -1.808 1.162 1.00 0.00 H new ATOM 138 N LYS A 8 -0.366 -6.836 3.224 1.00 0.00 N ATOM 139 CA LYS A 8 -0.688 -8.257 3.249 1.00 0.00 C ATOM 140 C LYS A 8 -2.196 -8.463 3.272 1.00 0.00 C ATOM 141 O LYS A 8 -2.732 -9.234 2.483 1.00 0.00 O ATOM 142 CB LYS A 8 -0.037 -8.933 4.459 1.00 0.00 C ATOM 143 CG LYS A 8 -0.334 -10.425 4.558 1.00 0.00 C ATOM 144 CD LYS A 8 0.416 -11.069 5.715 1.00 0.00 C ATOM 145 CE LYS A 8 0.003 -10.477 7.053 1.00 0.00 C ATOM 146 NZ LYS A 8 0.736 -11.104 8.188 1.00 0.00 N ATOM 0 H LYS A 8 0.404 -6.569 3.837 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.292 -8.715 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.042 -8.789 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.382 -8.441 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.406 -10.575 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.055 -10.915 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.227 -12.142 5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.488 -10.935 5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.191 -9.403 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.069 -10.612 7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.426 -10.673 9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.537 -12.125 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.758 -10.953 8.067 1.00 0.00 H new ATOM 160 N LYS A 9 -2.875 -7.748 4.164 1.00 0.00 N ATOM 161 CA LYS A 9 -4.332 -7.835 4.267 1.00 0.00 C ATOM 162 C LYS A 9 -4.976 -7.351 2.974 1.00 0.00 C ATOM 163 O LYS A 9 -5.841 -8.021 2.412 1.00 0.00 O ATOM 164 CB LYS A 9 -4.844 -7.005 5.456 1.00 0.00 C ATOM 165 CG LYS A 9 -6.357 -6.831 5.516 1.00 0.00 C ATOM 166 CD LYS A 9 -7.073 -8.145 5.783 1.00 0.00 C ATOM 167 CE LYS A 9 -7.678 -8.716 4.514 1.00 0.00 C ATOM 168 NZ LYS A 9 -8.774 -7.857 3.986 1.00 0.00 N ATOM 0 H LYS A 9 -2.443 -7.103 4.825 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.605 -8.877 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.511 -7.478 6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.381 -6.019 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.609 -6.116 6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.711 -6.410 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.372 -8.863 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.858 -7.989 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.901 -8.820 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.064 -9.715 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.433 -8.438 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.284 -7.419 4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.371 -7.114 3.380 1.00 0.00 H new ATOM 182 N PHE A 10 -4.536 -6.190 2.489 1.00 0.00 N ATOM 183 CA PHE A 10 -5.079 -5.651 1.248 1.00 0.00 C ATOM 184 C PHE A 10 -4.832 -6.648 0.122 1.00 0.00 C ATOM 185 O PHE A 10 -5.599 -6.736 -0.837 1.00 0.00 O ATOM 186 CB PHE A 10 -4.458 -4.287 0.920 1.00 0.00 C ATOM 187 CG PHE A 10 -5.084 -3.587 -0.267 1.00 0.00 C ATOM 188 CD1 PHE A 10 -6.467 -3.452 -0.365 1.00 0.00 C ATOM 189 CD2 PHE A 10 -4.297 -3.053 -1.286 1.00 0.00 C ATOM 190 CE1 PHE A 10 -7.043 -2.808 -1.442 1.00 0.00 C ATOM 191 CE2 PHE A 10 -4.876 -2.409 -2.364 1.00 0.00 C ATOM 192 CZ PHE A 10 -6.249 -2.286 -2.441 1.00 0.00 C ATOM 0 H PHE A 10 -3.818 -5.615 2.929 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.152 -5.497 1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.544 -3.642 1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.394 -4.422 0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.098 -3.857 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.222 -3.143 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.117 -2.713 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.253 -2.002 -3.147 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.700 -1.782 -3.283 1.00 0.00 H new ATOM 202 N VAL A 11 -3.758 -7.415 0.278 1.00 0.00 N ATOM 203 CA VAL A 11 -3.378 -8.443 -0.676 1.00 0.00 C ATOM 204 C VAL A 11 -4.196 -9.712 -0.451 1.00 0.00 C ATOM 205 O VAL A 11 -4.477 -10.461 -1.387 1.00 0.00 O ATOM 206 CB VAL A 11 -1.884 -8.798 -0.531 1.00 0.00 C ATOM 207 CG1 VAL A 11 -1.504 -9.894 -1.504 1.00 0.00 C ATOM 208 CG2 VAL A 11 -1.011 -7.572 -0.731 1.00 0.00 C ATOM 0 H VAL A 11 -3.126 -7.338 1.075 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.568 -8.049 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.718 -9.164 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.447 -10.132 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.101 -10.783 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.691 -9.556 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.037 -7.850 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.178 -7.165 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.265 -6.819 0.015 1.00 0.00 H new ATOM 218 N GLU A 12 -4.561 -9.946 0.807 1.00 0.00 N ATOM 219 CA GLU A 12 -5.329 -11.120 1.188 1.00 0.00 C ATOM 220 C GLU A 12 -6.652 -11.187 0.433 1.00 0.00 C ATOM 221 O GLU A 12 -7.234 -12.260 0.279 1.00 0.00 O ATOM 222 CB GLU A 12 -5.589 -11.121 2.701 1.00 0.00 C ATOM 223 CG GLU A 12 -4.374 -11.412 3.543 1.00 0.00 C ATOM 224 CD GLU A 12 -4.661 -11.351 5.031 1.00 0.00 C ATOM 225 OE1 GLU A 12 -5.526 -12.121 5.499 1.00 0.00 O ATOM 226 OE2 GLU A 12 -4.018 -10.538 5.727 1.00 0.00 O ATOM 0 H GLU A 12 -4.332 -9.328 1.585 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.742 -12.000 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.991 -10.149 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.356 -11.862 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.992 -12.401 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.589 -10.696 3.299 1.00 0.00 H new ATOM 233 N ASP A 13 -7.121 -10.033 -0.029 1.00 0.00 N ATOM 234 CA ASP A 13 -8.379 -9.958 -0.763 1.00 0.00 C ATOM 235 C ASP A 13 -8.364 -10.907 -1.960 1.00 0.00 C ATOM 236 O ASP A 13 -9.304 -11.675 -2.165 1.00 0.00 O ATOM 237 CB ASP A 13 -8.631 -8.520 -1.219 1.00 0.00 C ATOM 238 CG ASP A 13 -9.994 -8.341 -1.861 1.00 0.00 C ATOM 239 OD1 ASP A 13 -10.258 -8.997 -2.891 1.00 0.00 O ATOM 240 OD2 ASP A 13 -10.798 -7.545 -1.332 1.00 0.00 O ATOM 0 H ASP A 13 -6.649 -9.137 0.092 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.189 -10.264 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.546 -7.851 -0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.858 -8.227 -1.929 1.00 0.00 H new ATOM 245 N LYS A 14 -7.285 -10.861 -2.739 1.00 0.00 N ATOM 246 CA LYS A 14 -7.145 -11.731 -3.904 1.00 0.00 C ATOM 247 C LYS A 14 -5.704 -12.214 -4.052 1.00 0.00 C ATOM 248 O LYS A 14 -5.445 -13.417 -4.094 1.00 0.00 O ATOM 249 CB LYS A 14 -7.574 -11.011 -5.188 1.00 0.00 C ATOM 250 CG LYS A 14 -9.038 -10.567 -5.194 1.00 0.00 C ATOM 251 CD LYS A 14 -9.517 -10.238 -6.604 1.00 0.00 C ATOM 252 CE LYS A 14 -8.557 -9.306 -7.338 1.00 0.00 C ATOM 253 NZ LYS A 14 -9.136 -8.809 -8.618 1.00 0.00 N ATOM 0 H LYS A 14 -6.497 -10.232 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.797 -12.590 -3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.939 -10.136 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.402 -11.672 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.660 -11.356 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.156 -9.692 -4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.629 -11.161 -7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.502 -9.774 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.312 -8.459 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.624 -9.832 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.454 -8.179 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.346 -9.615 -9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.013 -8.285 -8.422 1.00 0.00 H new ATOM 267 N ASN A 15 -4.776 -11.259 -4.134 1.00 0.00 N ATOM 268 CA ASN A 15 -3.354 -11.556 -4.287 1.00 0.00 C ATOM 269 C ASN A 15 -2.590 -10.260 -4.543 1.00 0.00 C ATOM 270 O ASN A 15 -3.197 -9.194 -4.657 1.00 0.00 O ATOM 271 CB ASN A 15 -3.134 -12.528 -5.451 1.00 0.00 C ATOM 272 CG ASN A 15 -1.701 -13.030 -5.532 1.00 0.00 C ATOM 273 OD1 ASN A 15 -1.248 -13.766 -4.657 1.00 0.00 O ATOM 274 ND2 ASN A 15 -0.970 -12.622 -6.568 1.00 0.00 N ATOM 0 H ASN A 15 -4.990 -10.262 -4.096 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.988 -12.021 -3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.807 -13.378 -5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.395 -12.033 -6.387 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.002 -12.920 -6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.382 -12.011 -7.274 1.00 0.00 H new ATOM 281 N GLN A 16 -1.265 -10.342 -4.644 1.00 0.00 N ATOM 282 CA GLN A 16 -0.458 -9.153 -4.898 1.00 0.00 C ATOM 283 C GLN A 16 -0.858 -8.495 -6.211 1.00 0.00 C ATOM 284 O GLN A 16 -0.491 -7.351 -6.478 1.00 0.00 O ATOM 285 CB GLN A 16 1.045 -9.479 -4.875 1.00 0.00 C ATOM 286 CG GLN A 16 1.422 -10.895 -5.317 1.00 0.00 C ATOM 287 CD GLN A 16 1.346 -11.170 -6.821 1.00 0.00 C ATOM 288 OE1 GLN A 16 1.803 -12.217 -7.278 1.00 0.00 O ATOM 289 NE2 GLN A 16 0.762 -10.266 -7.599 1.00 0.00 N ATOM 0 H GLN A 16 -0.734 -11.208 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.651 -8.443 -4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.563 -8.767 -5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.417 -9.323 -3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.438 -11.101 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.768 -11.601 -4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.392 -9.407 -7.193 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.684 -10.431 -8.602 1.00 0.00 H new ATOM 298 N GLU A 17 -1.616 -9.222 -7.024 1.00 0.00 N ATOM 299 CA GLU A 17 -2.071 -8.712 -8.302 1.00 0.00 C ATOM 300 C GLU A 17 -3.075 -7.587 -8.091 1.00 0.00 C ATOM 301 O GLU A 17 -3.014 -6.552 -8.749 1.00 0.00 O ATOM 302 CB GLU A 17 -2.711 -9.836 -9.113 1.00 0.00 C ATOM 303 CG GLU A 17 -3.006 -9.441 -10.542 1.00 0.00 C ATOM 304 CD GLU A 17 -3.731 -10.525 -11.314 1.00 0.00 C ATOM 305 OE1 GLU A 17 -4.845 -10.908 -10.897 1.00 0.00 O ATOM 306 OE2 GLU A 17 -3.186 -10.992 -12.337 1.00 0.00 O ATOM 0 H GLU A 17 -1.927 -10.171 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.214 -8.321 -8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.048 -10.701 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.638 -10.144 -8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.609 -8.533 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.071 -9.204 -11.049 1.00 0.00 H new ATOM 313 N TYR A 18 -3.997 -7.809 -7.160 1.00 0.00 N ATOM 314 CA TYR A 18 -5.030 -6.826 -6.839 1.00 0.00 C ATOM 315 C TYR A 18 -4.436 -5.620 -6.130 1.00 0.00 C ATOM 316 O TYR A 18 -4.826 -4.479 -6.381 1.00 0.00 O ATOM 317 CB TYR A 18 -6.106 -7.456 -5.945 1.00 0.00 C ATOM 318 CG TYR A 18 -7.128 -6.472 -5.405 1.00 0.00 C ATOM 319 CD1 TYR A 18 -7.836 -5.624 -6.253 1.00 0.00 C ATOM 320 CD2 TYR A 18 -7.388 -6.393 -4.038 1.00 0.00 C ATOM 321 CE1 TYR A 18 -8.766 -4.732 -5.756 1.00 0.00 C ATOM 322 CE2 TYR A 18 -8.317 -5.502 -3.538 1.00 0.00 C ATOM 323 CZ TYR A 18 -9.002 -4.673 -4.400 1.00 0.00 C ATOM 324 OH TYR A 18 -9.927 -3.785 -3.903 1.00 0.00 O ATOM 0 H TYR A 18 -4.051 -8.667 -6.610 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.478 -6.498 -7.777 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.627 -8.227 -6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.619 -7.952 -5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.655 -5.665 -7.317 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.854 -7.040 -3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.307 -4.083 -6.429 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.506 -5.455 -2.476 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.973 -3.872 -2.928 1.00 0.00 H new ATOM 334 N ALA A 19 -3.502 -5.888 -5.233 1.00 0.00 N ATOM 335 CA ALA A 19 -2.855 -4.842 -4.462 1.00 0.00 C ATOM 336 C ALA A 19 -1.958 -3.981 -5.344 1.00 0.00 C ATOM 337 O ALA A 19 -1.920 -2.758 -5.201 1.00 0.00 O ATOM 338 CB ALA A 19 -2.072 -5.471 -3.327 1.00 0.00 C ATOM 0 H ALA A 19 -3.173 -6.830 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.616 -4.183 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.584 -4.689 -2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.750 -6.032 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.318 -6.144 -3.735 1.00 0.00 H new ATOM 344 N ALA A 20 -1.250 -4.622 -6.267 1.00 0.00 N ATOM 345 CA ALA A 20 -0.367 -3.905 -7.183 1.00 0.00 C ATOM 346 C ALA A 20 -1.180 -3.262 -8.303 1.00 0.00 C ATOM 347 O ALA A 20 -0.730 -2.316 -8.949 1.00 0.00 O ATOM 348 CB ALA A 20 0.697 -4.841 -7.751 1.00 0.00 C ATOM 0 H ALA A 20 -1.269 -5.633 -6.402 1.00 0.00 H new ATOM 0 HA ALA A 20 0.142 -3.116 -6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.344 -4.287 -8.431 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.293 -5.251 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.214 -5.655 -8.292 1.00 0.00 H new ATOM 354 N ARG A 21 -2.388 -3.779 -8.511 1.00 0.00 N ATOM 355 CA ARG A 21 -3.285 -3.267 -9.528 1.00 0.00 C ATOM 356 C ARG A 21 -3.886 -1.941 -9.084 1.00 0.00 C ATOM 357 O ARG A 21 -3.959 -0.984 -9.857 1.00 0.00 O ATOM 358 CB ARG A 21 -4.398 -4.271 -9.786 1.00 0.00 C ATOM 359 CG ARG A 21 -5.322 -3.849 -10.901 1.00 0.00 C ATOM 360 CD ARG A 21 -6.226 -4.987 -11.355 1.00 0.00 C ATOM 361 NE ARG A 21 -7.142 -4.568 -12.412 1.00 0.00 N ATOM 362 CZ ARG A 21 -8.035 -5.375 -12.977 1.00 0.00 C ATOM 363 NH1 ARG A 21 -8.132 -6.638 -12.588 1.00 0.00 N ATOM 364 NH2 ARG A 21 -8.832 -4.917 -13.932 1.00 0.00 N ATOM 0 H ARG A 21 -2.766 -4.562 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.719 -3.109 -10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.959 -5.238 -10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.977 -4.407 -8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.934 -3.011 -10.567 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.732 -3.496 -11.747 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.615 -5.816 -11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.798 -5.357 -10.504 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.094 -3.602 -12.735 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.521 -6.994 -11.853 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.818 -7.254 -13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.760 -3.945 -14.234 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.517 -5.536 -14.365 1.00 0.00 H new ATOM 378 N ALA A 22 -4.315 -1.899 -7.828 1.00 0.00 N ATOM 379 CA ALA A 22 -4.912 -0.705 -7.257 1.00 0.00 C ATOM 380 C ALA A 22 -3.843 0.341 -6.962 1.00 0.00 C ATOM 381 O ALA A 22 -3.946 1.489 -7.395 1.00 0.00 O ATOM 382 CB ALA A 22 -5.678 -1.067 -5.996 1.00 0.00 C ATOM 0 H ALA A 22 -4.258 -2.687 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.608 -0.276 -7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.124 -0.168 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.464 -1.782 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.996 -1.511 -5.271 1.00 0.00 H new ATOM 388 N LEU A 23 -2.807 -0.070 -6.236 1.00 0.00 N ATOM 389 CA LEU A 23 -1.708 0.827 -5.900 1.00 0.00 C ATOM 390 C LEU A 23 -0.851 1.109 -7.133 1.00 0.00 C ATOM 391 O LEU A 23 -1.151 0.630 -8.228 1.00 0.00 O ATOM 392 CB LEU A 23 -0.849 0.241 -4.774 1.00 0.00 C ATOM 393 CG LEU A 23 -1.455 0.352 -3.359 1.00 0.00 C ATOM 394 CD1 LEU A 23 -0.526 -0.264 -2.303 1.00 0.00 C ATOM 395 CD2 LEU A 23 -1.732 1.825 -3.022 1.00 0.00 C ATOM 0 H LEU A 23 -2.706 -1.017 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.133 1.768 -5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.663 -0.811 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.118 0.743 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.392 -0.205 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.982 -0.169 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.366 -1.318 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.431 0.258 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.160 1.895 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.799 2.388 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.434 2.238 -3.746 1.00 0.00 H new ATOM 407 N GLY A 24 0.208 1.896 -6.956 1.00 0.00 N ATOM 408 CA GLY A 24 1.073 2.233 -8.074 1.00 0.00 C ATOM 409 C GLY A 24 2.470 1.656 -7.946 1.00 0.00 C ATOM 410 O GLY A 24 3.191 1.537 -8.937 1.00 0.00 O ATOM 0 H GLY A 24 0.481 2.305 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.621 1.870 -8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.141 3.318 -8.158 1.00 0.00 H new ATOM 414 N LEU A 25 2.853 1.300 -6.726 1.00 0.00 N ATOM 415 CA LEU A 25 4.181 0.735 -6.476 1.00 0.00 C ATOM 416 C LEU A 25 4.373 -0.545 -7.286 1.00 0.00 C ATOM 417 O LEU A 25 3.400 -1.170 -7.707 1.00 0.00 O ATOM 418 CB LEU A 25 4.375 0.427 -4.979 1.00 0.00 C ATOM 419 CG LEU A 25 3.659 -0.828 -4.456 1.00 0.00 C ATOM 420 CD1 LEU A 25 3.798 -0.918 -2.938 1.00 0.00 C ATOM 421 CD2 LEU A 25 2.182 -0.824 -4.843 1.00 0.00 C ATOM 0 H LEU A 25 2.269 1.390 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 25 4.922 1.473 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.442 0.321 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.030 1.286 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 25 4.129 -1.698 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.287 -1.811 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.854 -0.972 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.353 -0.035 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.703 -1.724 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.697 0.055 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.090 -0.799 -5.929 1.00 0.00 H new ATOM 433 N SER A 26 5.626 -0.947 -7.487 1.00 0.00 N ATOM 434 CA SER A 26 5.914 -2.168 -8.230 1.00 0.00 C ATOM 435 C SER A 26 5.572 -3.382 -7.378 1.00 0.00 C ATOM 436 O SER A 26 5.513 -3.291 -6.152 1.00 0.00 O ATOM 437 CB SER A 26 7.382 -2.217 -8.661 1.00 0.00 C ATOM 438 OG SER A 26 7.673 -1.199 -9.604 1.00 0.00 O ATOM 0 H SER A 26 6.450 -0.450 -7.149 1.00 0.00 H new ATOM 0 HA SER A 26 5.300 -2.177 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.024 -2.102 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.604 -3.192 -9.094 1.00 0.00 H new ATOM 0 HG SER A 26 8.617 -1.252 -9.861 1.00 0.00 H new ATOM 444 N GLN A 27 5.327 -4.512 -8.029 1.00 0.00 N ATOM 445 CA GLN A 27 4.969 -5.729 -7.317 1.00 0.00 C ATOM 446 C GLN A 27 6.080 -6.165 -6.364 1.00 0.00 C ATOM 447 O GLN A 27 5.818 -6.847 -5.374 1.00 0.00 O ATOM 448 CB GLN A 27 4.653 -6.853 -8.297 1.00 0.00 C ATOM 449 CG GLN A 27 3.829 -7.953 -7.660 1.00 0.00 C ATOM 450 CD GLN A 27 2.441 -7.483 -7.286 1.00 0.00 C ATOM 451 OE1 GLN A 27 1.520 -7.536 -8.099 1.00 0.00 O ATOM 452 NE2 GLN A 27 2.294 -6.985 -6.059 1.00 0.00 N ATOM 0 H GLN A 27 5.370 -4.610 -9.043 1.00 0.00 H new ATOM 0 HA GLN A 27 4.079 -5.513 -6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.113 -6.446 -9.152 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.584 -7.273 -8.678 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.753 -8.793 -8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.340 -8.318 -6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.088 -6.962 -5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.387 -6.627 -5.759 1.00 0.00 H new ATOM 461 N LYS A 28 7.316 -5.764 -6.656 1.00 0.00 N ATOM 462 CA LYS A 28 8.447 -6.122 -5.804 1.00 0.00 C ATOM 463 C LYS A 28 8.350 -5.390 -4.479 1.00 0.00 C ATOM 464 O LYS A 28 8.578 -5.973 -3.420 1.00 0.00 O ATOM 465 CB LYS A 28 9.790 -5.781 -6.456 1.00 0.00 C ATOM 466 CG LYS A 28 9.962 -6.309 -7.876 1.00 0.00 C ATOM 467 CD LYS A 28 9.149 -5.513 -8.886 1.00 0.00 C ATOM 468 CE LYS A 28 9.343 -6.044 -10.298 1.00 0.00 C ATOM 469 NZ LYS A 28 8.549 -5.274 -11.295 1.00 0.00 N ATOM 0 H LYS A 28 7.558 -5.196 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 28 8.403 -7.200 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.907 -4.697 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.592 -6.181 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.016 -6.272 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.659 -7.356 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.093 -5.558 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.443 -4.464 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.400 -5.997 -10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.051 -7.094 -10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.709 -5.667 -12.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.538 -5.339 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.845 -4.277 -11.279 1.00 0.00 H new ATOM 483 N LEU A 29 7.999 -4.109 -4.535 1.00 0.00 N ATOM 484 CA LEU A 29 7.868 -3.330 -3.319 1.00 0.00 C ATOM 485 C LEU A 29 6.770 -3.929 -2.466 1.00 0.00 C ATOM 486 O LEU A 29 6.868 -3.965 -1.240 1.00 0.00 O ATOM 487 CB LEU A 29 7.568 -1.849 -3.601 1.00 0.00 C ATOM 488 CG LEU A 29 8.642 -1.046 -4.362 1.00 0.00 C ATOM 489 CD1 LEU A 29 10.041 -1.300 -3.802 1.00 0.00 C ATOM 490 CD2 LEU A 29 8.616 -1.381 -5.847 1.00 0.00 C ATOM 0 H LEU A 29 7.804 -3.599 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 29 8.822 -3.365 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.639 -1.794 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.388 -1.353 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 29 8.407 0.010 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.770 -0.716 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.072 -1.005 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.281 -2.360 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.382 -0.803 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.810 -2.445 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.637 -1.135 -6.258 1.00 0.00 H new ATOM 502 N ILE A 30 5.737 -4.432 -3.126 1.00 0.00 N ATOM 503 CA ILE A 30 4.644 -5.066 -2.436 1.00 0.00 C ATOM 504 C ILE A 30 5.145 -6.302 -1.722 1.00 0.00 C ATOM 505 O ILE A 30 4.668 -6.646 -0.645 1.00 0.00 O ATOM 506 CB ILE A 30 3.525 -5.427 -3.414 1.00 0.00 C ATOM 507 CG1 ILE A 30 2.761 -4.157 -3.792 1.00 0.00 C ATOM 508 CG2 ILE A 30 2.608 -6.482 -2.825 1.00 0.00 C ATOM 509 CD1 ILE A 30 1.556 -4.407 -4.646 1.00 0.00 C ATOM 0 H ILE A 30 5.641 -4.409 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 30 4.237 -4.371 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 30 3.956 -5.857 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.449 -3.647 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.435 -3.482 -4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.821 -6.721 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.183 -7.381 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.160 -6.103 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.067 -3.459 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.862 -4.888 -5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.861 -5.056 -4.113 1.00 0.00 H new ATOM 521 N GLU A 31 6.147 -6.934 -2.315 1.00 0.00 N ATOM 522 CA GLU A 31 6.760 -8.103 -1.722 1.00 0.00 C ATOM 523 C GLU A 31 7.379 -7.700 -0.405 1.00 0.00 C ATOM 524 O GLU A 31 7.299 -8.411 0.592 1.00 0.00 O ATOM 525 CB GLU A 31 7.839 -8.658 -2.631 1.00 0.00 C ATOM 526 CG GLU A 31 7.358 -9.042 -4.007 1.00 0.00 C ATOM 527 CD GLU A 31 8.410 -9.777 -4.815 1.00 0.00 C ATOM 528 OE1 GLU A 31 9.524 -9.987 -4.291 1.00 0.00 O ATOM 529 OE2 GLU A 31 8.119 -10.143 -5.974 1.00 0.00 O ATOM 0 H GLU A 31 6.550 -6.652 -3.209 1.00 0.00 H new ATOM 0 HA GLU A 31 6.002 -8.872 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.631 -7.915 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.281 -9.534 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.473 -9.671 -3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.056 -8.143 -4.545 1.00 0.00 H new ATOM 536 N GLU A 32 7.987 -6.525 -0.437 1.00 0.00 N ATOM 537 CA GLU A 32 8.645 -5.945 0.723 1.00 0.00 C ATOM 538 C GLU A 32 7.642 -5.698 1.842 1.00 0.00 C ATOM 539 O GLU A 32 7.905 -5.997 3.004 1.00 0.00 O ATOM 540 CB GLU A 32 9.330 -4.624 0.341 1.00 0.00 C ATOM 541 CG GLU A 32 10.276 -4.723 -0.854 1.00 0.00 C ATOM 542 CD GLU A 32 11.168 -3.505 -0.990 1.00 0.00 C ATOM 543 OE1 GLU A 32 11.047 -2.581 -0.158 1.00 0.00 O ATOM 544 OE2 GLU A 32 11.989 -3.473 -1.931 1.00 0.00 O ATOM 0 H GLU A 32 8.038 -5.943 -1.273 1.00 0.00 H new ATOM 0 HA GLU A 32 9.398 -6.650 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.563 -3.882 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.889 -4.257 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.896 -5.614 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.692 -4.846 -1.766 1.00 0.00 H new ATOM 551 N VAL A 33 6.497 -5.135 1.482 1.00 0.00 N ATOM 552 CA VAL A 33 5.454 -4.825 2.450 1.00 0.00 C ATOM 553 C VAL A 33 4.590 -6.048 2.768 1.00 0.00 C ATOM 554 O VAL A 33 3.843 -6.051 3.747 1.00 0.00 O ATOM 555 CB VAL A 33 4.544 -3.696 1.928 1.00 0.00 C ATOM 556 CG1 VAL A 33 3.732 -3.092 3.062 1.00 0.00 C ATOM 557 CG2 VAL A 33 5.364 -2.634 1.208 1.00 0.00 C ATOM 0 H VAL A 33 6.266 -4.882 0.521 1.00 0.00 H new ATOM 0 HA VAL A 33 5.957 -4.505 3.362 1.00 0.00 H new ATOM 0 HB VAL A 33 3.845 -4.122 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.097 -2.297 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.110 -3.864 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.406 -2.681 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.703 -1.846 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.093 -2.208 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.884 -3.086 0.363 1.00 0.00 H new ATOM 567 N LEU A 34 4.680 -7.075 1.928 1.00 0.00 N ATOM 568 CA LEU A 34 3.891 -8.282 2.105 1.00 0.00 C ATOM 569 C LEU A 34 4.583 -9.313 3.004 1.00 0.00 C ATOM 570 O LEU A 34 3.979 -9.796 3.962 1.00 0.00 O ATOM 571 CB LEU A 34 3.564 -8.877 0.732 1.00 0.00 C ATOM 572 CG LEU A 34 3.561 -10.392 0.652 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.394 -10.954 1.444 1.00 0.00 C ATOM 574 CD2 LEU A 34 3.520 -10.849 -0.797 1.00 0.00 C ATOM 0 H LEU A 34 5.296 -7.091 1.115 1.00 0.00 H new ATOM 0 HA LEU A 34 2.967 -8.010 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.583 -8.514 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.286 -8.495 0.010 1.00 0.00 H new ATOM 0 HG LEU A 34 4.483 -10.773 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.401 -12.042 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.483 -10.651 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.459 -10.573 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.518 -11.938 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.617 -10.468 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.396 -10.469 -1.323 1.00 0.00 H new ATOM 586 N LYS A 35 5.834 -9.665 2.701 1.00 0.00 N ATOM 587 CA LYS A 35 6.537 -10.655 3.518 1.00 0.00 C ATOM 588 C LYS A 35 6.972 -10.041 4.846 1.00 0.00 C ATOM 589 O LYS A 35 6.932 -10.697 5.888 1.00 0.00 O ATOM 590 CB LYS A 35 7.742 -11.271 2.789 1.00 0.00 C ATOM 591 CG LYS A 35 9.086 -10.618 3.107 1.00 0.00 C ATOM 592 CD LYS A 35 9.233 -9.245 2.477 1.00 0.00 C ATOM 593 CE LYS A 35 9.953 -9.314 1.142 1.00 0.00 C ATOM 594 NZ LYS A 35 11.191 -10.136 1.218 1.00 0.00 N ATOM 0 H LYS A 35 6.369 -9.291 1.917 1.00 0.00 H new ATOM 0 HA LYS A 35 5.834 -11.465 3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.799 -12.330 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.569 -11.209 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.197 -10.531 4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.891 -11.263 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.247 -8.802 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.783 -8.591 3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.284 -9.734 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.207 -8.306 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.905 -9.749 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.561 -10.117 2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.974 -11.117 0.949 1.00 0.00 H new ATOM 608 N ARG A 36 7.381 -8.777 4.799 1.00 0.00 N ATOM 609 CA ARG A 36 7.817 -8.067 5.995 1.00 0.00 C ATOM 610 C ARG A 36 6.633 -7.535 6.795 1.00 0.00 C ATOM 611 O ARG A 36 6.719 -7.374 8.012 1.00 0.00 O ATOM 612 CB ARG A 36 8.754 -6.935 5.629 1.00 0.00 C ATOM 613 CG ARG A 36 10.111 -7.419 5.194 1.00 0.00 C ATOM 614 CD ARG A 36 10.699 -6.563 4.084 1.00 0.00 C ATOM 615 NE ARG A 36 12.097 -6.892 3.822 1.00 0.00 N ATOM 616 CZ ARG A 36 12.839 -6.285 2.900 1.00 0.00 C ATOM 617 NH1 ARG A 36 12.318 -5.319 2.156 1.00 0.00 N ATOM 618 NH2 ARG A 36 14.103 -6.644 2.723 1.00 0.00 N ATOM 0 H ARG A 36 7.419 -8.223 3.943 1.00 0.00 H new ATOM 0 HA ARG A 36 8.351 -8.779 6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.309 -6.346 4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.867 -6.272 6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.787 -7.416 6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.034 -8.451 4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.117 -6.701 3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.619 -5.511 4.357 1.00 0.00 H new ATOM 0 HE ARG A 36 12.530 -7.630 4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.346 -5.040 2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.889 -4.855 1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.507 -7.386 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.671 -6.178 2.016 1.00 0.00 H new ATOM 632 N GLY A 37 5.525 -7.263 6.106 1.00 0.00 N ATOM 633 CA GLY A 37 4.345 -6.753 6.776 1.00 0.00 C ATOM 634 C GLY A 37 4.564 -5.369 7.349 1.00 0.00 C ATOM 635 O GLY A 37 4.357 -5.144 8.542 1.00 0.00 O ATOM 0 H GLY A 37 5.427 -7.387 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.513 -6.725 6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.061 -7.435 7.577 1.00 0.00 H new ATOM 639 N LEU A 38 4.984 -4.438 6.497 1.00 0.00 N ATOM 640 CA LEU A 38 5.229 -3.069 6.927 1.00 0.00 C ATOM 641 C LEU A 38 3.927 -2.266 6.892 1.00 0.00 C ATOM 642 O LEU A 38 3.060 -2.523 6.057 1.00 0.00 O ATOM 643 CB LEU A 38 6.274 -2.405 6.016 1.00 0.00 C ATOM 644 CG LEU A 38 7.589 -3.178 5.801 1.00 0.00 C ATOM 645 CD1 LEU A 38 8.496 -2.378 4.890 1.00 0.00 C ATOM 646 CD2 LEU A 38 8.309 -3.495 7.109 1.00 0.00 C ATOM 0 H LEU A 38 5.161 -4.608 5.507 1.00 0.00 H new ATOM 0 HA LEU A 38 5.610 -3.087 7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.817 -2.232 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.517 -1.427 6.432 1.00 0.00 H new ATOM 0 HG LEU A 38 7.337 -4.134 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.428 -2.922 4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.003 -2.223 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.711 -1.412 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.228 -4.040 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.550 -2.566 7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.664 -4.105 7.741 1.00 0.00 H new ATOM 658 N PRO A 39 3.762 -1.280 7.799 1.00 0.00 N ATOM 659 CA PRO A 39 2.547 -0.458 7.846 1.00 0.00 C ATOM 660 C PRO A 39 2.501 0.578 6.730 1.00 0.00 C ATOM 661 O PRO A 39 3.443 1.348 6.550 1.00 0.00 O ATOM 662 CB PRO A 39 2.650 0.237 9.204 1.00 0.00 C ATOM 663 CG PRO A 39 4.114 0.355 9.443 1.00 0.00 C ATOM 664 CD PRO A 39 4.731 -0.888 8.846 1.00 0.00 C ATOM 0 HA PRO A 39 1.645 -1.057 7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.169 1.215 9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.164 -0.345 9.987 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.515 1.254 8.975 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.332 0.426 10.509 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.717 -0.686 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.857 -1.673 9.592 1.00 0.00 H new ATOM 672 N VAL A 40 1.398 0.602 5.990 1.00 0.00 N ATOM 673 CA VAL A 40 1.235 1.558 4.902 1.00 0.00 C ATOM 674 C VAL A 40 -0.163 2.180 4.934 1.00 0.00 C ATOM 675 O VAL A 40 -1.100 1.587 5.474 1.00 0.00 O ATOM 676 CB VAL A 40 1.467 0.906 3.526 1.00 0.00 C ATOM 677 CG1 VAL A 40 2.859 0.280 3.459 1.00 0.00 C ATOM 678 CG2 VAL A 40 0.394 -0.130 3.236 1.00 0.00 C ATOM 0 H VAL A 40 0.606 -0.027 6.123 1.00 0.00 H new ATOM 0 HA VAL A 40 1.986 2.334 5.047 1.00 0.00 H new ATOM 0 HB VAL A 40 1.404 1.681 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.006 -0.176 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.613 1.051 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.953 -0.482 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.576 -0.579 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.420 -0.905 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.585 0.350 3.238 1.00 0.00 H new ATOM 688 N TYR A 41 -0.304 3.375 4.357 1.00 0.00 N ATOM 689 CA TYR A 41 -1.592 4.060 4.331 1.00 0.00 C ATOM 690 C TYR A 41 -2.005 4.367 2.898 1.00 0.00 C ATOM 691 O TYR A 41 -1.485 5.295 2.284 1.00 0.00 O ATOM 692 CB TYR A 41 -1.533 5.371 5.136 1.00 0.00 C ATOM 693 CG TYR A 41 -1.320 5.209 6.634 1.00 0.00 C ATOM 694 CD1 TYR A 41 -0.402 4.294 7.138 1.00 0.00 C ATOM 695 CD2 TYR A 41 -2.033 5.986 7.549 1.00 0.00 C ATOM 696 CE1 TYR A 41 -0.203 4.153 8.497 1.00 0.00 C ATOM 697 CE2 TYR A 41 -1.833 5.850 8.907 1.00 0.00 C ATOM 698 CZ TYR A 41 -0.918 4.933 9.377 1.00 0.00 C ATOM 699 OH TYR A 41 -0.720 4.796 10.732 1.00 0.00 O ATOM 0 H TYR A 41 0.455 3.884 3.904 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.329 3.398 4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.727 5.987 4.736 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.462 5.918 4.975 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.166 3.682 6.453 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.753 6.705 7.188 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.511 3.433 8.868 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.392 6.461 9.600 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.302 5.421 11.213 1.00 0.00 H new ATOM 709 N VAL A 42 -2.949 3.597 2.365 1.00 0.00 N ATOM 710 CA VAL A 42 -3.412 3.829 1.000 1.00 0.00 C ATOM 711 C VAL A 42 -4.678 4.690 1.002 1.00 0.00 C ATOM 712 O VAL A 42 -5.743 4.254 1.428 1.00 0.00 O ATOM 713 CB VAL A 42 -3.662 2.510 0.200 1.00 0.00 C ATOM 714 CG1 VAL A 42 -2.415 1.629 0.159 1.00 0.00 C ATOM 715 CG2 VAL A 42 -4.840 1.723 0.762 1.00 0.00 C ATOM 0 H VAL A 42 -3.402 2.820 2.847 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.607 4.358 0.490 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.905 2.808 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.629 0.722 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.601 2.172 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.124 1.363 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.981 0.813 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.640 1.461 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.743 2.332 0.709 1.00 0.00 H new ATOM 725 N GLU A 43 -4.539 5.925 0.530 1.00 0.00 N ATOM 726 CA GLU A 43 -5.666 6.873 0.479 1.00 0.00 C ATOM 727 C GLU A 43 -6.208 7.024 -0.945 1.00 0.00 C ATOM 728 O GLU A 43 -5.662 7.790 -1.740 1.00 0.00 O ATOM 729 CB GLU A 43 -5.208 8.229 0.998 1.00 0.00 C ATOM 730 CG GLU A 43 -6.281 9.306 0.963 1.00 0.00 C ATOM 731 CD GLU A 43 -7.445 9.015 1.893 1.00 0.00 C ATOM 732 OE1 GLU A 43 -7.403 7.984 2.596 1.00 0.00 O ATOM 733 OE2 GLU A 43 -8.397 9.821 1.918 1.00 0.00 O ATOM 0 H GLU A 43 -3.660 6.301 0.175 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.469 6.483 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.859 8.113 2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.355 8.562 0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.836 10.263 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.654 9.406 -0.056 1.00 0.00 H new ATOM 740 N THR A 44 -7.259 6.269 -1.279 1.00 0.00 N ATOM 741 CA THR A 44 -7.829 6.306 -2.625 1.00 0.00 C ATOM 742 C THR A 44 -8.536 7.627 -2.911 1.00 0.00 C ATOM 743 O THR A 44 -8.932 8.347 -1.995 1.00 0.00 O ATOM 744 CB THR A 44 -8.793 5.136 -2.835 1.00 0.00 C ATOM 745 OG1 THR A 44 -8.575 4.127 -1.864 1.00 0.00 O ATOM 746 CG2 THR A 44 -8.653 4.484 -4.199 1.00 0.00 C ATOM 0 H THR A 44 -7.729 5.629 -0.639 1.00 0.00 H new ATOM 0 HA THR A 44 -7.000 6.216 -3.327 1.00 0.00 H new ATOM 0 HB THR A 44 -9.791 5.565 -2.748 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.085 3.326 -2.105 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.364 3.662 -4.284 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.855 5.220 -4.977 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.639 4.101 -4.317 1.00 0.00 H new ATOM 754 N ASN A 45 -8.679 7.933 -4.198 1.00 0.00 N ATOM 755 CA ASN A 45 -9.328 9.160 -4.638 1.00 0.00 C ATOM 756 C ASN A 45 -10.653 8.857 -5.334 1.00 0.00 C ATOM 757 O ASN A 45 -11.099 9.624 -6.187 1.00 0.00 O ATOM 758 CB ASN A 45 -8.405 9.925 -5.588 1.00 0.00 C ATOM 759 CG ASN A 45 -7.121 10.372 -4.915 1.00 0.00 C ATOM 760 OD1 ASN A 45 -7.149 11.125 -3.940 1.00 0.00 O ATOM 761 ND2 ASN A 45 -5.988 9.911 -5.432 1.00 0.00 N ATOM 0 H ASN A 45 -8.350 7.340 -4.960 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.534 9.773 -3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.163 9.292 -6.442 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.931 10.797 -5.976 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.094 10.179 -5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.012 9.289 -6.240 1.00 0.00 H new ATOM 768 N LYS A 46 -11.269 7.735 -4.958 1.00 0.00 N ATOM 769 CA LYS A 46 -12.547 7.312 -5.536 1.00 0.00 C ATOM 770 C LYS A 46 -12.373 6.799 -6.962 1.00 0.00 C ATOM 771 O LYS A 46 -12.561 5.612 -7.232 1.00 0.00 O ATOM 772 CB LYS A 46 -13.557 8.463 -5.521 1.00 0.00 C ATOM 773 CG LYS A 46 -13.873 8.984 -4.127 1.00 0.00 C ATOM 774 CD LYS A 46 -14.492 7.908 -3.245 1.00 0.00 C ATOM 775 CE LYS A 46 -15.828 7.431 -3.792 1.00 0.00 C ATOM 776 NZ LYS A 46 -16.444 6.389 -2.923 1.00 0.00 N ATOM 0 H LYS A 46 -10.901 7.099 -4.251 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.926 6.496 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.169 9.283 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -14.481 8.129 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.959 9.353 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.557 9.830 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.808 7.063 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.630 8.299 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.508 8.279 -3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.687 7.030 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.353 6.090 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.807 5.569 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.602 6.779 -1.972 1.00 0.00 H new ATOM 790 N ASP A 47 -12.023 7.705 -7.870 1.00 0.00 N ATOM 791 CA ASP A 47 -11.831 7.362 -9.276 1.00 0.00 C ATOM 792 C ASP A 47 -10.951 6.123 -9.437 1.00 0.00 C ATOM 793 O ASP A 47 -11.084 5.381 -10.410 1.00 0.00 O ATOM 794 CB ASP A 47 -11.212 8.542 -10.024 1.00 0.00 C ATOM 795 CG ASP A 47 -12.066 9.792 -9.939 1.00 0.00 C ATOM 796 OD1 ASP A 47 -13.229 9.748 -10.392 1.00 0.00 O ATOM 797 OD2 ASP A 47 -11.572 10.815 -9.419 1.00 0.00 O ATOM 0 H ASP A 47 -11.865 8.690 -7.655 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.809 7.136 -9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.224 8.751 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.071 8.272 -11.071 1.00 0.00 H new ATOM 802 N GLY A 48 -10.055 5.905 -8.479 1.00 0.00 N ATOM 803 CA GLY A 48 -9.173 4.755 -8.539 1.00 0.00 C ATOM 804 C GLY A 48 -7.761 5.079 -8.096 1.00 0.00 C ATOM 805 O GLY A 48 -7.111 4.270 -7.433 1.00 0.00 O ATOM 0 H GLY A 48 -9.925 6.504 -7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.574 3.961 -7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.151 4.372 -9.559 1.00 0.00 H new ATOM 809 N ASN A 49 -7.287 6.269 -8.455 1.00 0.00 N ATOM 810 CA ASN A 49 -5.946 6.701 -8.084 1.00 0.00 C ATOM 811 C ASN A 49 -5.818 6.739 -6.570 1.00 0.00 C ATOM 812 O ASN A 49 -6.726 7.200 -5.881 1.00 0.00 O ATOM 813 CB ASN A 49 -5.657 8.092 -8.652 1.00 0.00 C ATOM 814 CG ASN A 49 -4.209 8.504 -8.487 1.00 0.00 C ATOM 815 OD1 ASN A 49 -3.834 9.634 -8.801 1.00 0.00 O ATOM 816 ND2 ASN A 49 -3.381 7.587 -8.005 1.00 0.00 N ATOM 0 H ASN A 49 -7.813 6.950 -9.002 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.227 5.993 -8.495 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.916 8.108 -9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.297 8.822 -8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.392 7.807 -7.882 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.733 6.662 -7.757 1.00 0.00 H new ATOM 823 N ILE A 50 -4.697 6.258 -6.046 1.00 0.00 N ATOM 824 CA ILE A 50 -4.493 6.253 -4.628 1.00 0.00 C ATOM 825 C ILE A 50 -3.031 6.468 -4.259 1.00 0.00 C ATOM 826 O ILE A 50 -2.128 6.213 -5.056 1.00 0.00 O ATOM 827 CB ILE A 50 -4.992 4.940 -4.003 1.00 0.00 C ATOM 828 CG1 ILE A 50 -4.795 4.984 -2.511 1.00 0.00 C ATOM 829 CG2 ILE A 50 -4.250 3.749 -4.560 1.00 0.00 C ATOM 830 CD1 ILE A 50 -5.633 3.984 -1.748 1.00 0.00 C ATOM 0 H ILE A 50 -3.926 5.871 -6.591 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.072 7.086 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.050 4.835 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.743 4.805 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.030 5.987 -2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.627 2.837 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.401 3.698 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.186 3.851 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.433 4.080 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.689 4.175 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.382 2.975 -2.075 1.00 0.00 H new ATOM 842 N LYS A 51 -2.814 6.929 -3.032 1.00 0.00 N ATOM 843 CA LYS A 51 -1.477 7.172 -2.524 1.00 0.00 C ATOM 844 C LYS A 51 -1.129 6.086 -1.516 1.00 0.00 C ATOM 845 O LYS A 51 -2.015 5.397 -1.019 1.00 0.00 O ATOM 846 CB LYS A 51 -1.412 8.550 -1.854 1.00 0.00 C ATOM 847 CG LYS A 51 -2.132 9.635 -2.643 1.00 0.00 C ATOM 848 CD LYS A 51 -2.049 10.992 -1.947 1.00 0.00 C ATOM 849 CE LYS A 51 -0.608 11.498 -1.886 1.00 0.00 C ATOM 850 NZ LYS A 51 -0.523 12.868 -1.308 1.00 0.00 N ATOM 0 H LYS A 51 -3.558 7.142 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.762 7.153 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.849 8.483 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.368 8.835 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.696 9.710 -3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.178 9.357 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.668 11.714 -2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.451 10.910 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.008 10.813 -1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.182 11.500 -2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.474 13.114 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.943 13.551 -1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.041 12.897 -0.406 1.00 0.00 H new ATOM 864 N VAL A 52 0.150 5.931 -1.211 1.00 0.00 N ATOM 865 CA VAL A 52 0.570 4.916 -0.253 1.00 0.00 C ATOM 866 C VAL A 52 1.486 5.510 0.810 1.00 0.00 C ATOM 867 O VAL A 52 2.697 5.298 0.773 1.00 0.00 O ATOM 868 CB VAL A 52 1.315 3.749 -0.936 1.00 0.00 C ATOM 869 CG1 VAL A 52 0.948 2.425 -0.284 1.00 0.00 C ATOM 870 CG2 VAL A 52 1.044 3.717 -2.434 1.00 0.00 C ATOM 0 H VAL A 52 0.908 6.487 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.342 4.537 0.208 1.00 0.00 H new ATOM 0 HB VAL A 52 2.385 3.910 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.483 1.615 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.223 2.450 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.126 2.260 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.584 2.884 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.025 3.593 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.379 4.651 -2.884 1.00 0.00 H new ATOM 880 N TYR A 53 0.914 6.251 1.762 1.00 0.00 N ATOM 881 CA TYR A 53 1.729 6.848 2.822 1.00 0.00 C ATOM 882 C TYR A 53 2.343 5.761 3.701 1.00 0.00 C ATOM 883 O TYR A 53 1.826 5.448 4.774 1.00 0.00 O ATOM 884 CB TYR A 53 0.930 7.809 3.708 1.00 0.00 C ATOM 885 CG TYR A 53 0.284 8.970 2.978 1.00 0.00 C ATOM 886 CD1 TYR A 53 -0.998 8.871 2.441 1.00 0.00 C ATOM 887 CD2 TYR A 53 0.961 10.177 2.832 1.00 0.00 C ATOM 888 CE1 TYR A 53 -1.579 9.941 1.787 1.00 0.00 C ATOM 889 CE2 TYR A 53 0.383 11.247 2.177 1.00 0.00 C ATOM 890 CZ TYR A 53 -0.886 11.124 1.659 1.00 0.00 C ATOM 891 OH TYR A 53 -1.468 12.190 1.012 1.00 0.00 O ATOM 0 H TYR A 53 -0.085 6.449 1.822 1.00 0.00 H new ATOM 0 HA TYR A 53 2.513 7.419 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.151 7.244 4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.593 8.207 4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.545 7.945 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.956 10.279 3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.574 9.850 1.377 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.924 12.176 2.072 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.390 12.993 1.569 1.00 0.00 H new ATOM 901 N ILE A 54 3.447 5.194 3.235 1.00 0.00 N ATOM 902 CA ILE A 54 4.148 4.141 3.969 1.00 0.00 C ATOM 903 C ILE A 54 4.504 4.618 5.377 1.00 0.00 C ATOM 904 O ILE A 54 4.531 5.818 5.632 1.00 0.00 O ATOM 905 CB ILE A 54 5.431 3.704 3.230 1.00 0.00 C ATOM 906 CG1 ILE A 54 6.099 2.532 3.959 1.00 0.00 C ATOM 907 CG2 ILE A 54 6.394 4.877 3.098 1.00 0.00 C ATOM 908 CD1 ILE A 54 7.295 1.943 3.211 1.00 0.00 C ATOM 0 H ILE A 54 3.881 5.445 2.347 1.00 0.00 H new ATOM 0 HA ILE A 54 3.479 3.283 4.037 1.00 0.00 H new ATOM 0 HB ILE A 54 5.158 3.371 2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.427 2.867 4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.360 1.747 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.293 4.552 2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.916 5.679 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.663 5.241 4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.715 1.119 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.970 1.576 2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.054 2.714 3.074 1.00 0.00 H new ATOM 920 N THR A 55 4.772 3.686 6.291 1.00 0.00 N ATOM 921 CA THR A 55 5.112 4.051 7.662 1.00 0.00 C ATOM 922 C THR A 55 6.401 3.375 8.126 1.00 0.00 C ATOM 923 O THR A 55 6.367 2.357 8.818 1.00 0.00 O ATOM 924 CB THR A 55 3.969 3.692 8.612 1.00 0.00 C ATOM 925 OG1 THR A 55 2.776 4.349 8.229 1.00 0.00 O ATOM 926 CG2 THR A 55 4.251 4.059 10.057 1.00 0.00 C ATOM 0 H THR A 55 4.760 2.683 6.108 1.00 0.00 H new ATOM 0 HA THR A 55 5.271 5.129 7.679 1.00 0.00 H new ATOM 0 HB THR A 55 3.865 2.609 8.543 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.023 3.726 8.297 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.400 3.777 10.677 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.140 3.530 10.400 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.416 5.134 10.134 1.00 0.00 H new ATOM 934 N GLN A 56 7.536 3.963 7.764 1.00 0.00 N ATOM 935 CA GLN A 56 8.835 3.439 8.165 1.00 0.00 C ATOM 936 C GLN A 56 9.629 4.518 8.884 1.00 0.00 C ATOM 937 O GLN A 56 9.295 5.701 8.809 1.00 0.00 O ATOM 938 CB GLN A 56 9.630 2.924 6.959 1.00 0.00 C ATOM 939 CG GLN A 56 9.445 3.741 5.690 1.00 0.00 C ATOM 940 CD GLN A 56 9.296 5.227 5.944 1.00 0.00 C ATOM 941 OE1 GLN A 56 10.224 5.890 6.409 1.00 0.00 O ATOM 942 NE2 GLN A 56 8.113 5.753 5.643 1.00 0.00 N ATOM 0 H GLN A 56 7.582 4.806 7.191 1.00 0.00 H new ATOM 0 HA GLN A 56 8.664 2.599 8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.689 2.910 7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.337 1.893 6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.300 3.577 5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.563 3.381 5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.375 5.162 5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.943 6.747 5.795 1.00 0.00 H new ATOM 951 N ASP A 57 10.678 4.108 9.584 1.00 0.00 N ATOM 952 CA ASP A 57 11.522 5.042 10.319 1.00 0.00 C ATOM 953 C ASP A 57 10.733 5.773 11.408 1.00 0.00 C ATOM 954 O ASP A 57 11.292 6.577 12.154 1.00 0.00 O ATOM 955 CB ASP A 57 12.155 6.057 9.363 1.00 0.00 C ATOM 956 CG ASP A 57 13.033 5.399 8.315 1.00 0.00 C ATOM 957 OD1 ASP A 57 13.154 4.156 8.334 1.00 0.00 O ATOM 958 OD2 ASP A 57 13.601 6.128 7.475 1.00 0.00 O ATOM 0 H ASP A 57 10.966 3.132 9.659 1.00 0.00 H new ATOM 0 HA ASP A 57 12.310 4.464 10.802 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.367 6.625 8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.750 6.769 9.936 1.00 0.00 H new ATOM 963 N GLY A 58 9.433 5.489 11.495 1.00 0.00 N ATOM 964 CA GLY A 58 8.596 6.127 12.496 1.00 0.00 C ATOM 965 C GLY A 58 7.671 7.180 11.911 1.00 0.00 C ATOM 966 O GLY A 58 6.707 7.593 12.556 1.00 0.00 O ATOM 0 H GLY A 58 8.947 4.828 10.889 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.000 5.367 13.001 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.231 6.589 13.252 1.00 0.00 H new ATOM 970 N ILE A 59 7.962 7.616 10.688 1.00 0.00 N ATOM 971 CA ILE A 59 7.145 8.626 10.020 1.00 0.00 C ATOM 972 C ILE A 59 6.595 8.090 8.702 1.00 0.00 C ATOM 973 O ILE A 59 7.120 7.124 8.148 1.00 0.00 O ATOM 974 CB ILE A 59 7.952 9.917 9.750 1.00 0.00 C ATOM 975 CG1 ILE A 59 8.393 10.548 11.073 1.00 0.00 C ATOM 976 CG2 ILE A 59 7.146 10.913 8.919 1.00 0.00 C ATOM 977 CD1 ILE A 59 9.178 11.832 10.907 1.00 0.00 C ATOM 0 H ILE A 59 8.756 7.286 10.140 1.00 0.00 H new ATOM 0 HA ILE A 59 6.317 8.865 10.688 1.00 0.00 H new ATOM 0 HB ILE A 59 8.838 9.650 9.174 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.511 10.749 11.681 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.002 9.830 11.622 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.742 11.809 8.747 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.885 10.461 7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.235 11.180 9.454 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.455 12.219 11.888 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.080 11.635 10.327 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.565 12.568 10.387 1.00 0.00 H new ATOM 989 N THR A 60 5.534 8.719 8.206 1.00 0.00 N ATOM 990 CA THR A 60 4.923 8.297 6.957 1.00 0.00 C ATOM 991 C THR A 60 5.306 9.229 5.809 1.00 0.00 C ATOM 992 O THR A 60 5.774 10.347 6.030 1.00 0.00 O ATOM 993 CB THR A 60 3.403 8.239 7.103 1.00 0.00 C ATOM 994 OG1 THR A 60 2.811 7.677 5.947 1.00 0.00 O ATOM 995 CG2 THR A 60 2.772 9.594 7.317 1.00 0.00 C ATOM 0 H THR A 60 5.083 9.519 8.650 1.00 0.00 H new ATOM 0 HA THR A 60 5.297 7.300 6.722 1.00 0.00 H new ATOM 0 HB THR A 60 3.222 7.624 7.984 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.080 6.738 5.865 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.692 9.481 7.413 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.172 10.042 8.226 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.996 10.238 6.466 1.00 0.00 H new ATOM 1003 N GLN A 61 5.099 8.755 4.585 1.00 0.00 N ATOM 1004 CA GLN A 61 5.414 9.526 3.388 1.00 0.00 C ATOM 1005 C GLN A 61 4.844 8.830 2.154 1.00 0.00 C ATOM 1006 O GLN A 61 4.582 7.628 2.186 1.00 0.00 O ATOM 1007 CB GLN A 61 6.930 9.699 3.245 1.00 0.00 C ATOM 1008 CG GLN A 61 7.701 8.390 3.288 1.00 0.00 C ATOM 1009 CD GLN A 61 9.162 8.563 2.919 1.00 0.00 C ATOM 1010 OE1 GLN A 61 9.488 8.975 1.806 1.00 0.00 O ATOM 1011 NE2 GLN A 61 10.052 8.252 3.855 1.00 0.00 N ATOM 0 H GLN A 61 4.710 7.831 4.395 1.00 0.00 H new ATOM 0 HA GLN A 61 4.961 10.513 3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.142 10.204 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.290 10.349 4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.631 7.963 4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.239 7.678 2.605 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.738 7.914 4.765 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.049 8.351 3.664 1.00 0.00 H new ATOM 1020 N PRO A 62 4.645 9.564 1.043 1.00 0.00 N ATOM 1021 CA PRO A 62 4.105 8.983 -0.188 1.00 0.00 C ATOM 1022 C PRO A 62 5.121 8.088 -0.876 1.00 0.00 C ATOM 1023 O PRO A 62 6.273 8.480 -1.067 1.00 0.00 O ATOM 1024 CB PRO A 62 3.810 10.212 -1.053 1.00 0.00 C ATOM 1025 CG PRO A 62 4.816 11.200 -0.613 1.00 0.00 C ATOM 1026 CD PRO A 62 4.932 11.005 0.883 1.00 0.00 C ATOM 0 HA PRO A 62 3.234 8.354 -0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.908 9.987 -2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.795 10.577 -0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.773 11.035 -1.107 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.503 12.216 -0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.925 11.264 1.250 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.220 11.623 1.429 1.00 0.00 H new ATOM 1034 N PHE A 63 4.697 6.888 -1.253 1.00 0.00 N ATOM 1035 CA PHE A 63 5.603 5.959 -1.930 1.00 0.00 C ATOM 1036 C PHE A 63 6.159 6.653 -3.181 1.00 0.00 C ATOM 1037 O PHE A 63 5.518 7.569 -3.695 1.00 0.00 O ATOM 1038 CB PHE A 63 4.894 4.645 -2.318 1.00 0.00 C ATOM 1039 CG PHE A 63 5.749 3.418 -2.124 1.00 0.00 C ATOM 1040 CD1 PHE A 63 6.202 3.070 -0.858 1.00 0.00 C ATOM 1041 CD2 PHE A 63 6.102 2.613 -3.198 1.00 0.00 C ATOM 1042 CE1 PHE A 63 6.986 1.946 -0.671 1.00 0.00 C ATOM 1043 CE2 PHE A 63 6.885 1.492 -3.014 1.00 0.00 C ATOM 1044 CZ PHE A 63 7.327 1.158 -1.749 1.00 0.00 C ATOM 0 H PHE A 63 3.751 6.537 -1.107 1.00 0.00 H new ATOM 0 HA PHE A 63 6.411 5.694 -1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.986 4.543 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.587 4.702 -3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.939 3.684 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.760 2.867 -4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.331 1.686 0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.152 0.876 -3.860 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.939 0.280 -1.605 1.00 0.00 H new ATOM 1054 N PRO A 64 7.344 6.264 -3.708 1.00 0.00 N ATOM 1055 CA PRO A 64 7.891 6.920 -4.899 1.00 0.00 C ATOM 1056 C PRO A 64 6.993 6.731 -6.129 1.00 0.00 C ATOM 1057 O PRO A 64 6.540 7.716 -6.713 1.00 0.00 O ATOM 1058 CB PRO A 64 9.266 6.268 -5.104 1.00 0.00 C ATOM 1059 CG PRO A 64 9.562 5.555 -3.827 1.00 0.00 C ATOM 1060 CD PRO A 64 8.233 5.191 -3.225 1.00 0.00 C ATOM 0 HA PRO A 64 7.959 8.000 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.251 5.576 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.027 7.017 -5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.162 4.664 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.133 6.191 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.896 4.209 -3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.277 5.163 -2.136 1.00 0.00 H new ATOM 1068 N PRO A 65 6.705 5.470 -6.544 1.00 0.00 N ATOM 1069 CA PRO A 65 5.843 5.192 -7.698 1.00 0.00 C ATOM 1070 C PRO A 65 4.621 6.105 -7.759 1.00 0.00 C ATOM 1071 O PRO A 65 3.970 6.291 -6.709 1.00 0.00 O ATOM 1072 CB PRO A 65 5.426 3.749 -7.420 1.00 0.00 C ATOM 1073 CG PRO A 65 6.657 3.151 -6.877 1.00 0.00 C ATOM 1074 CD PRO A 65 7.175 4.204 -5.927 1.00 0.00 C ATOM 1075 OXT PRO A 65 4.325 6.626 -8.855 1.00 0.00 O ATOM 0 HA PRO A 65 6.343 5.354 -8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.603 3.696 -6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.096 3.242 -8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.453 2.212 -6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.378 2.933 -7.665 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.775 4.072 -4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.261 4.174 -5.845 1.00 0.00 H new