USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 54 HIS : no HE2:sc= -1.77! C(o=-0.52!,f=-13!) USER MOD Set 1.2: A 97 THR OG1 : rot -42:sc= 1.26 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.171 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 1.05 (180deg=0.91) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 55:sc= 0.0481 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 28 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.36 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00353 USER MOD Single : A 33 HIS : no HE2:sc= -1.46! C(o=-1.5!,f=-5.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.607 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0833) USER MOD Single : A 44 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.047) USER MOD Single : A 49 SER OG : rot 83:sc= 0.383 USER MOD Single : A 55 LYS NZ :NH3+ 135:sc= 0.442 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.61) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 72 HIS : no HD1:sc= -0.591 K(o=-0.59,f=-0.074) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.185 K(o=0.18,f=-3.7!) USER MOD Single : A 78 THR OG1 : rot 94:sc= 1.21 USER MOD Single : A 81 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.3) USER MOD Single : A 82 THR OG1 : rot -93:sc= 0.628 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 87 HIS : no HD1:sc= -1.66! K(o=-1.7!,f=0.37) USER MOD Single : A 92 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.06) USER MOD Single : A 94 GLN : amide:sc= 0.718 K(o=0.72,f=-5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 33B O62 : rot 180:sc= 0 USER MOD Single : A 101 33B O72 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.018 -2.422 -15.400 1.00 31.14 N ATOM 2 CA GLY A 1 -12.094 -2.260 -14.280 1.00 54.12 C ATOM 3 C GLY A 1 -11.081 -3.348 -14.328 1.00 62.13 C ATOM 4 O GLY A 1 -11.148 -4.261 -15.166 1.00 3.24 O ATOM 0 H1 GLY A 1 -13.009 -1.562 -15.985 1.00 31.14 H new ATOM 0 H2 GLY A 1 -12.725 -3.236 -15.977 1.00 31.14 H new ATOM 0 H3 GLY A 1 -13.979 -2.583 -15.037 1.00 31.14 H new ATOM 0 HA2 GLY A 1 -11.605 -1.287 -14.333 1.00 54.12 H new ATOM 0 HA3 GLY A 1 -12.637 -2.293 -13.336 1.00 54.12 H new ATOM 10 N PRO A 2 -10.090 -3.244 -13.431 1.00 30.15 N ATOM 11 CA PRO A 2 -9.020 -4.217 -13.320 1.00 32.11 C ATOM 12 C PRO A 2 -9.582 -5.505 -12.801 1.00 14.02 C ATOM 13 O PRO A 2 -10.578 -5.490 -12.069 1.00 63.24 O ATOM 14 CB PRO A 2 -8.031 -3.589 -12.313 1.00 61.54 C ATOM 15 CG PRO A 2 -8.899 -2.632 -11.470 1.00 72.51 C ATOM 16 CD PRO A 2 -9.973 -2.155 -12.461 1.00 24.54 C ATOM 0 HA PRO A 2 -8.533 -4.441 -14.269 1.00 32.11 H new ATOM 0 HB2 PRO A 2 -7.560 -4.350 -11.691 1.00 61.54 H new ATOM 0 HB3 PRO A 2 -7.230 -3.054 -12.823 1.00 61.54 H new ATOM 0 HG2 PRO A 2 -9.341 -3.141 -10.613 1.00 72.51 H new ATOM 0 HG3 PRO A 2 -8.315 -1.799 -11.080 1.00 72.51 H new ATOM 0 HD2 PRO A 2 -10.922 -1.969 -11.958 1.00 24.54 H new ATOM 0 HD3 PRO A 2 -9.680 -1.223 -12.945 1.00 24.54 H new ATOM 24 N LYS A 3 -8.951 -6.615 -13.174 1.00 44.32 N ATOM 25 CA LYS A 3 -9.367 -7.916 -12.733 1.00 12.10 C ATOM 26 C LYS A 3 -8.739 -8.114 -11.364 1.00 23.02 C ATOM 27 O LYS A 3 -7.824 -7.384 -10.972 1.00 12.53 O ATOM 28 CB LYS A 3 -8.819 -9.035 -13.634 1.00 34.04 C ATOM 29 CG LYS A 3 -9.232 -8.942 -15.108 1.00 34.41 C ATOM 30 CD LYS A 3 -8.590 -10.044 -15.961 1.00 74.43 C ATOM 31 CE LYS A 3 -7.050 -9.934 -16.049 1.00 31.35 C ATOM 32 NZ LYS A 3 -6.460 -11.164 -16.602 1.00 2.02 N ATOM 0 H LYS A 3 -8.139 -6.623 -13.791 1.00 44.32 H new ATOM 0 HA LYS A 3 -10.456 -7.966 -12.741 1.00 12.10 H new ATOM 0 HB2 LYS A 3 -7.731 -9.027 -13.576 1.00 34.04 H new ATOM 0 HB3 LYS A 3 -9.152 -9.995 -13.239 1.00 34.04 H new ATOM 0 HG2 LYS A 3 -10.317 -9.012 -15.184 1.00 34.41 H new ATOM 0 HG3 LYS A 3 -8.947 -7.967 -15.503 1.00 34.41 H new ATOM 0 HD2 LYS A 3 -8.854 -11.016 -15.544 1.00 74.43 H new ATOM 0 HD3 LYS A 3 -9.008 -10.004 -16.967 1.00 74.43 H new ATOM 0 HE2 LYS A 3 -6.779 -9.084 -16.675 1.00 31.35 H new ATOM 0 HE3 LYS A 3 -6.639 -9.744 -15.058 1.00 31.35 H new ATOM 0 HZ1 LYS A 3 -5.426 -11.062 -16.650 1.00 2.02 H new ATOM 0 HZ2 LYS A 3 -6.701 -11.970 -15.990 1.00 2.02 H new ATOM 0 HZ3 LYS A 3 -6.836 -11.330 -17.557 1.00 2.02 H new ATOM 46 N PRO A 4 -9.224 -9.118 -10.621 1.00 53.40 N ATOM 47 CA PRO A 4 -8.635 -9.512 -9.354 1.00 30.12 C ATOM 48 C PRO A 4 -7.235 -10.002 -9.607 1.00 62.12 C ATOM 49 O PRO A 4 -7.043 -10.846 -10.500 1.00 54.13 O ATOM 50 CB PRO A 4 -9.558 -10.634 -8.825 1.00 41.22 C ATOM 51 CG PRO A 4 -10.879 -10.418 -9.597 1.00 42.30 C ATOM 52 CD PRO A 4 -10.396 -9.915 -10.956 1.00 43.15 C ATOM 0 HA PRO A 4 -8.560 -8.702 -8.628 1.00 30.12 H new ATOM 0 HB2 PRO A 4 -9.139 -11.621 -9.018 1.00 41.22 H new ATOM 0 HB3 PRO A 4 -9.706 -10.556 -7.748 1.00 41.22 H new ATOM 0 HG2 PRO A 4 -11.451 -11.342 -9.687 1.00 42.30 H new ATOM 0 HG3 PRO A 4 -11.523 -9.691 -9.102 1.00 42.30 H new ATOM 0 HD2 PRO A 4 -10.145 -10.739 -11.624 1.00 43.15 H new ATOM 0 HD3 PRO A 4 -11.158 -9.319 -11.458 1.00 43.15 H new ATOM 60 N GLY A 5 -6.251 -9.483 -8.872 1.00 63.11 N ATOM 61 CA GLY A 5 -4.894 -9.922 -9.055 1.00 74.54 C ATOM 62 C GLY A 5 -4.263 -9.151 -10.180 1.00 33.14 C ATOM 63 O GLY A 5 -3.169 -9.502 -10.631 1.00 42.42 O ATOM 0 H GLY A 5 -6.379 -8.768 -8.156 1.00 63.11 H new ATOM 0 HA2 GLY A 5 -4.326 -9.775 -8.136 1.00 74.54 H new ATOM 0 HA3 GLY A 5 -4.873 -10.989 -9.275 1.00 74.54 H new ATOM 67 N ASP A 6 -4.925 -8.072 -10.674 1.00 41.53 N ATOM 68 CA ASP A 6 -4.283 -7.237 -11.687 1.00 53.24 C ATOM 69 C ASP A 6 -3.745 -6.055 -10.959 1.00 51.52 C ATOM 70 O ASP A 6 -4.212 -5.707 -9.868 1.00 34.05 O ATOM 71 CB ASP A 6 -5.178 -6.753 -12.878 1.00 25.23 C ATOM 72 CG ASP A 6 -4.279 -6.239 -14.039 1.00 74.43 C ATOM 73 OD1 ASP A 6 -3.041 -6.408 -13.991 1.00 11.32 O ATOM 74 OD2 ASP A 6 -4.818 -5.662 -15.007 1.00 25.22 O ATOM 0 H ASP A 6 -5.861 -7.780 -10.394 1.00 41.53 H new ATOM 0 HA ASP A 6 -3.529 -7.854 -12.177 1.00 53.24 H new ATOM 0 HB2 ASP A 6 -5.807 -7.572 -13.228 1.00 25.23 H new ATOM 0 HB3 ASP A 6 -5.845 -5.959 -12.544 1.00 25.23 H new ATOM 79 N ILE A 7 -2.715 -5.472 -11.522 1.00 15.42 N ATOM 80 CA ILE A 7 -1.944 -4.481 -10.881 1.00 2.21 C ATOM 81 C ILE A 7 -2.424 -3.159 -11.405 1.00 42.44 C ATOM 82 O ILE A 7 -2.671 -3.020 -12.616 1.00 5.43 O ATOM 83 CB ILE A 7 -0.466 -4.632 -11.234 1.00 33.02 C ATOM 84 CG1 ILE A 7 -0.054 -6.127 -11.384 1.00 10.14 C ATOM 85 CG2 ILE A 7 0.372 -3.791 -10.266 1.00 55.11 C ATOM 86 CD1 ILE A 7 -0.105 -6.894 -10.111 1.00 63.22 C ATOM 0 H ILE A 7 -2.396 -5.693 -12.465 1.00 15.42 H new ATOM 0 HA ILE A 7 -2.050 -4.564 -9.799 1.00 2.21 H new ATOM 0 HB ILE A 7 -0.264 -4.229 -12.226 1.00 33.02 H new ATOM 0 HG12 ILE A 7 -0.711 -6.604 -12.111 1.00 10.14 H new ATOM 0 HG13 ILE A 7 0.957 -6.177 -11.787 1.00 10.14 H new ATOM 0 HG21 ILE A 7 1.428 -3.895 -10.514 1.00 55.11 H new ATOM 0 HG22 ILE A 7 0.082 -2.744 -10.349 1.00 55.11 H new ATOM 0 HG23 ILE A 7 0.203 -4.135 -9.245 1.00 55.11 H new ATOM 0 HD11 ILE A 7 0.195 -7.926 -10.295 1.00 63.22 H new ATOM 0 HD12 ILE A 7 0.573 -6.443 -9.387 1.00 63.22 H new ATOM 0 HD13 ILE A 7 -1.121 -6.877 -9.716 1.00 63.22 H new ATOM 98 N PHE A 8 -2.579 -2.162 -10.519 1.00 53.13 N ATOM 99 CA PHE A 8 -2.842 -0.817 -10.981 1.00 22.12 C ATOM 100 C PHE A 8 -1.967 0.100 -10.197 1.00 20.24 C ATOM 101 O PHE A 8 -1.549 -0.219 -9.087 1.00 13.24 O ATOM 102 CB PHE A 8 -4.344 -0.325 -10.954 1.00 74.14 C ATOM 103 CG PHE A 8 -4.975 -0.419 -9.574 1.00 54.32 C ATOM 104 CD1 PHE A 8 -5.300 -1.676 -8.996 1.00 2.44 C ATOM 105 CD2 PHE A 8 -5.336 0.763 -8.870 1.00 12.40 C ATOM 106 CE1 PHE A 8 -5.959 -1.738 -7.748 1.00 42.41 C ATOM 107 CE2 PHE A 8 -6.001 0.688 -7.628 1.00 42.43 C ATOM 108 CZ PHE A 8 -6.308 -0.562 -7.069 1.00 52.30 C ATOM 0 H PHE A 8 -2.526 -2.270 -9.506 1.00 53.13 H new ATOM 0 HA PHE A 8 -2.618 -0.813 -12.048 1.00 22.12 H new ATOM 0 HB2 PHE A 8 -4.388 0.708 -11.298 1.00 74.14 H new ATOM 0 HB3 PHE A 8 -4.928 -0.920 -11.656 1.00 74.14 H new ATOM 0 HD1 PHE A 8 -5.042 -2.588 -9.513 1.00 2.44 H new ATOM 0 HD2 PHE A 8 -5.098 1.729 -9.291 1.00 12.40 H new ATOM 0 HE1 PHE A 8 -6.196 -2.698 -7.314 1.00 42.41 H new ATOM 0 HE2 PHE A 8 -6.274 1.594 -7.107 1.00 42.43 H new ATOM 0 HZ PHE A 8 -6.813 -0.618 -6.116 1.00 52.30 H new ATOM 118 N GLU A 9 -1.612 1.235 -10.803 1.00 43.42 N ATOM 119 CA GLU A 9 -0.753 2.186 -10.163 1.00 11.22 C ATOM 120 C GLU A 9 -1.604 3.336 -9.807 1.00 50.44 C ATOM 121 O GLU A 9 -2.555 3.658 -10.528 1.00 24.22 O ATOM 122 CB GLU A 9 0.341 2.730 -11.099 1.00 55.42 C ATOM 123 CG GLU A 9 1.322 1.663 -11.582 1.00 51.44 C ATOM 124 CD GLU A 9 2.295 2.336 -12.505 1.00 42.34 C ATOM 125 OE1 GLU A 9 1.881 2.769 -13.586 1.00 24.52 O ATOM 126 OE2 GLU A 9 3.471 2.469 -12.145 1.00 64.24 O ATOM 0 H GLU A 9 -1.916 1.502 -11.739 1.00 43.42 H new ATOM 0 HA GLU A 9 -0.268 1.698 -9.317 1.00 11.22 H new ATOM 0 HB2 GLU A 9 -0.132 3.195 -11.964 1.00 55.42 H new ATOM 0 HB3 GLU A 9 0.895 3.512 -10.580 1.00 55.42 H new ATOM 0 HG2 GLU A 9 1.843 1.210 -10.738 1.00 51.44 H new ATOM 0 HG3 GLU A 9 0.794 0.861 -12.098 1.00 51.44 H new ATOM 133 N VAL A 10 -1.277 4.002 -8.687 1.00 1.33 N ATOM 134 CA VAL A 10 -1.960 5.199 -8.338 1.00 12.23 C ATOM 135 C VAL A 10 -0.933 6.098 -7.740 1.00 62.50 C ATOM 136 O VAL A 10 0.087 5.639 -7.193 1.00 54.21 O ATOM 137 CB VAL A 10 -3.092 4.999 -7.334 1.00 31.24 C ATOM 138 CG1 VAL A 10 -4.145 4.078 -8.002 1.00 4.11 C ATOM 139 CG2 VAL A 10 -2.500 4.429 -6.009 1.00 23.31 C ATOM 0 H VAL A 10 -0.549 3.714 -8.033 1.00 1.33 H new ATOM 0 HA VAL A 10 -2.431 5.606 -9.233 1.00 12.23 H new ATOM 0 HB VAL A 10 -3.589 5.931 -7.065 1.00 31.24 H new ATOM 0 HG11 VAL A 10 -4.972 3.911 -7.312 1.00 4.11 H new ATOM 0 HG12 VAL A 10 -4.519 4.551 -8.910 1.00 4.11 H new ATOM 0 HG13 VAL A 10 -3.685 3.123 -8.254 1.00 4.11 H new ATOM 0 HG21 VAL A 10 -3.302 4.283 -5.285 1.00 23.31 H new ATOM 0 HG22 VAL A 10 -2.013 3.474 -6.209 1.00 23.31 H new ATOM 0 HG23 VAL A 10 -1.770 5.131 -5.605 1.00 23.31 H new ATOM 149 N GLU A 11 -1.164 7.394 -7.856 1.00 11.03 N ATOM 150 CA GLU A 11 -0.352 8.349 -7.178 1.00 63.14 C ATOM 151 C GLU A 11 -1.265 9.078 -6.266 1.00 51.14 C ATOM 152 O GLU A 11 -2.345 9.524 -6.669 1.00 21.52 O ATOM 153 CB GLU A 11 0.353 9.319 -8.126 1.00 73.13 C ATOM 154 CG GLU A 11 -0.587 9.998 -9.123 1.00 24.42 C ATOM 155 CD GLU A 11 0.239 10.726 -10.133 1.00 0.14 C ATOM 156 OE1 GLU A 11 1.488 10.706 -10.021 1.00 42.03 O ATOM 157 OE2 GLU A 11 -0.351 11.318 -11.046 1.00 13.51 O ATOM 0 H GLU A 11 -1.914 7.795 -8.419 1.00 11.03 H new ATOM 0 HA GLU A 11 0.452 7.842 -6.645 1.00 63.14 H new ATOM 0 HB2 GLU A 11 0.859 10.085 -7.538 1.00 73.13 H new ATOM 0 HB3 GLU A 11 1.124 8.779 -8.677 1.00 73.13 H new ATOM 0 HG2 GLU A 11 -1.219 9.257 -9.613 1.00 24.42 H new ATOM 0 HG3 GLU A 11 -1.251 10.691 -8.606 1.00 24.42 H new ATOM 164 N LEU A 12 -0.893 9.131 -4.992 1.00 1.04 N ATOM 165 CA LEU A 12 -1.797 9.604 -3.996 1.00 70.34 C ATOM 166 C LEU A 12 -1.064 10.555 -3.141 1.00 24.30 C ATOM 167 O LEU A 12 0.076 10.325 -2.782 1.00 44.43 O ATOM 168 CB LEU A 12 -2.339 8.463 -3.117 1.00 43.04 C ATOM 169 CG LEU A 12 -3.857 8.456 -3.015 1.00 63.21 C ATOM 170 CD1 LEU A 12 -4.353 7.115 -2.549 1.00 21.35 C ATOM 171 CD2 LEU A 12 -4.409 9.614 -2.175 1.00 34.23 C ATOM 0 H LEU A 12 0.024 8.851 -4.644 1.00 1.04 H new ATOM 0 HA LEU A 12 -2.648 10.072 -4.491 1.00 70.34 H new ATOM 0 HB2 LEU A 12 -2.004 7.509 -3.524 1.00 43.04 H new ATOM 0 HB3 LEU A 12 -1.914 8.550 -2.117 1.00 43.04 H new ATOM 0 HG LEU A 12 -4.248 8.623 -4.019 1.00 63.21 H new ATOM 0 HD11 LEU A 12 -5.441 7.132 -2.483 1.00 21.35 H new ATOM 0 HD12 LEU A 12 -4.045 6.347 -3.258 1.00 21.35 H new ATOM 0 HD13 LEU A 12 -3.934 6.893 -1.568 1.00 21.35 H new ATOM 0 HD21 LEU A 12 -5.497 9.553 -2.141 1.00 34.23 H new ATOM 0 HD22 LEU A 12 -4.010 9.551 -1.163 1.00 34.23 H new ATOM 0 HD23 LEU A 12 -4.113 10.562 -2.624 1.00 34.23 H new ATOM 183 N ALA A 13 -1.716 11.663 -2.800 1.00 42.31 N ATOM 184 CA ALA A 13 -1.113 12.642 -1.952 1.00 51.00 C ATOM 185 C ALA A 13 -1.399 12.199 -0.558 1.00 44.23 C ATOM 186 O ALA A 13 -2.459 11.677 -0.284 1.00 12.40 O ATOM 187 CB ALA A 13 -1.705 14.055 -2.127 1.00 64.32 C ATOM 0 H ALA A 13 -2.662 11.890 -3.107 1.00 42.31 H new ATOM 0 HA ALA A 13 -0.053 12.712 -2.195 1.00 51.00 H new ATOM 0 HB1 ALA A 13 -1.200 14.747 -1.453 1.00 64.32 H new ATOM 0 HB2 ALA A 13 -1.564 14.384 -3.157 1.00 64.32 H new ATOM 0 HB3 ALA A 13 -2.770 14.035 -1.896 1.00 64.32 H new ATOM 193 N LYS A 14 -0.431 12.384 0.348 1.00 14.12 N ATOM 194 CA LYS A 14 -0.645 12.034 1.757 1.00 65.01 C ATOM 195 C LYS A 14 -1.631 13.011 2.346 1.00 1.32 C ATOM 196 O LYS A 14 -2.431 12.639 3.190 1.00 11.14 O ATOM 197 CB LYS A 14 0.647 12.036 2.603 1.00 33.14 C ATOM 198 CG LYS A 14 1.416 10.708 2.479 1.00 44.10 C ATOM 199 CD LYS A 14 2.754 10.656 3.238 1.00 34.13 C ATOM 200 CE LYS A 14 3.971 11.047 2.383 1.00 75.21 C ATOM 201 NZ LYS A 14 3.911 12.448 1.936 1.00 15.14 N ATOM 0 H LYS A 14 0.491 12.766 0.137 1.00 14.12 H new ATOM 0 HA LYS A 14 -1.023 11.012 1.782 1.00 65.01 H new ATOM 0 HB2 LYS A 14 1.288 12.858 2.285 1.00 33.14 H new ATOM 0 HB3 LYS A 14 0.396 12.214 3.649 1.00 33.14 H new ATOM 0 HG2 LYS A 14 0.779 9.902 2.842 1.00 44.10 H new ATOM 0 HG3 LYS A 14 1.607 10.514 1.424 1.00 44.10 H new ATOM 0 HD2 LYS A 14 2.698 11.322 4.099 1.00 34.13 H new ATOM 0 HD3 LYS A 14 2.902 9.648 3.624 1.00 34.13 H new ATOM 0 HE2 LYS A 14 4.883 10.890 2.959 1.00 75.21 H new ATOM 0 HE3 LYS A 14 4.027 10.392 1.513 1.00 75.21 H new ATOM 0 HZ1 LYS A 14 4.768 12.676 1.392 1.00 15.14 H new ATOM 0 HZ2 LYS A 14 3.073 12.585 1.336 1.00 15.14 H new ATOM 0 HZ3 LYS A 14 3.850 13.074 2.764 1.00 15.14 H new ATOM 215 N ASN A 15 -1.600 14.264 1.852 1.00 1.33 N ATOM 216 CA ASN A 15 -2.493 15.341 2.307 1.00 55.43 C ATOM 217 C ASN A 15 -2.033 15.833 3.667 1.00 64.13 C ATOM 218 O ASN A 15 -2.196 15.154 4.685 1.00 12.24 O ATOM 219 CB ASN A 15 -4.020 14.993 2.337 1.00 24.12 C ATOM 220 CG ASN A 15 -4.833 16.245 2.680 1.00 51.32 C ATOM 221 OD1 ASN A 15 -5.369 16.363 3.786 1.00 64.11 O ATOM 222 ND2 ASN A 15 -4.943 17.189 1.725 1.00 34.24 N ATOM 0 H ASN A 15 -0.950 14.556 1.122 1.00 1.33 H new ATOM 0 HA ASN A 15 -2.413 16.124 1.553 1.00 55.43 H new ATOM 0 HB2 ASN A 15 -4.332 14.600 1.369 1.00 24.12 H new ATOM 0 HB3 ASN A 15 -4.210 14.212 3.074 1.00 24.12 H new ATOM 0 HD21 ASN A 15 -5.483 18.035 1.904 1.00 34.24 H new ATOM 0 HD22 ASN A 15 -4.486 17.057 0.823 1.00 34.24 H new ATOM 229 N ASP A 16 -1.430 17.063 3.679 1.00 43.30 N ATOM 230 CA ASP A 16 -0.884 17.721 4.891 1.00 22.32 C ATOM 231 C ASP A 16 0.021 16.801 5.634 1.00 20.15 C ATOM 232 O ASP A 16 0.001 16.736 6.866 1.00 40.43 O ATOM 233 CB ASP A 16 -1.917 18.377 5.840 1.00 2.12 C ATOM 234 CG ASP A 16 -2.435 19.617 5.150 1.00 43.23 C ATOM 235 OD1 ASP A 16 -1.602 20.453 4.722 1.00 33.31 O ATOM 236 OD2 ASP A 16 -3.664 19.777 5.023 1.00 14.53 O ATOM 0 H ASP A 16 -1.313 17.623 2.835 1.00 43.30 H new ATOM 0 HA ASP A 16 -0.317 18.566 4.500 1.00 22.32 H new ATOM 0 HB2 ASP A 16 -2.733 17.688 6.055 1.00 2.12 H new ATOM 0 HB3 ASP A 16 -1.455 18.632 6.794 1.00 2.12 H new ATOM 241 N ASN A 17 0.896 16.142 4.840 1.00 74.21 N ATOM 242 CA ASN A 17 1.973 15.210 5.286 1.00 51.03 C ATOM 243 C ASN A 17 1.472 14.062 6.159 1.00 63.23 C ATOM 244 O ASN A 17 2.249 13.148 6.451 1.00 51.24 O ATOM 245 CB ASN A 17 3.119 15.897 6.096 1.00 50.34 C ATOM 246 CG ASN A 17 3.730 17.025 5.275 1.00 35.43 C ATOM 247 OD1 ASN A 17 4.509 16.789 4.345 1.00 32.31 O ATOM 248 ND2 ASN A 17 3.381 18.280 5.610 1.00 34.21 N ATOM 0 H ASN A 17 0.875 16.246 3.825 1.00 74.21 H new ATOM 0 HA ASN A 17 2.353 14.835 4.336 1.00 51.03 H new ATOM 0 HB2 ASN A 17 2.728 16.289 7.035 1.00 50.34 H new ATOM 0 HB3 ASN A 17 3.885 15.165 6.351 1.00 50.34 H new ATOM 0 HD21 ASN A 17 3.762 19.071 5.091 1.00 34.21 H new ATOM 0 HD22 ASN A 17 2.735 18.441 6.383 1.00 34.21 H new ATOM 255 N SER A 18 0.215 14.072 6.621 1.00 13.44 N ATOM 256 CA SER A 18 -0.236 13.076 7.552 1.00 24.32 C ATOM 257 C SER A 18 -0.654 11.878 6.787 1.00 2.44 C ATOM 258 O SER A 18 -0.968 11.951 5.606 1.00 71.11 O ATOM 259 CB SER A 18 -1.443 13.534 8.409 1.00 31.45 C ATOM 260 OG SER A 18 -1.116 14.714 9.150 1.00 3.11 O ATOM 0 H SER A 18 -0.490 14.761 6.357 1.00 13.44 H new ATOM 0 HA SER A 18 0.593 12.876 8.231 1.00 24.32 H new ATOM 0 HB2 SER A 18 -2.300 13.729 7.765 1.00 31.45 H new ATOM 0 HB3 SER A 18 -1.733 12.737 9.094 1.00 31.45 H new ATOM 0 HG SER A 18 -0.793 15.406 8.536 1.00 3.11 H new ATOM 266 N LEU A 19 -0.669 10.750 7.457 1.00 43.24 N ATOM 267 CA LEU A 19 -1.142 9.557 6.881 1.00 43.44 C ATOM 268 C LEU A 19 -1.724 8.836 8.040 1.00 34.44 C ATOM 269 O LEU A 19 -2.083 9.465 9.026 1.00 23.11 O ATOM 270 CB LEU A 19 -0.055 8.681 6.157 1.00 12.23 C ATOM 271 CG LEU A 19 1.232 8.318 6.977 1.00 4.43 C ATOM 272 CD1 LEU A 19 1.991 7.170 6.313 1.00 53.44 C ATOM 273 CD2 LEU A 19 2.176 9.519 7.243 1.00 42.54 C ATOM 0 H LEU A 19 -0.348 10.655 8.420 1.00 43.24 H new ATOM 0 HA LEU A 19 -1.843 9.772 6.075 1.00 43.44 H new ATOM 0 HB2 LEU A 19 -0.527 7.751 5.839 1.00 12.23 H new ATOM 0 HB3 LEU A 19 0.256 9.206 5.254 1.00 12.23 H new ATOM 0 HG LEU A 19 0.876 8.000 7.957 1.00 4.43 H new ATOM 0 HD11 LEU A 19 2.880 6.935 6.898 1.00 53.44 H new ATOM 0 HD12 LEU A 19 1.348 6.291 6.260 1.00 53.44 H new ATOM 0 HD13 LEU A 19 2.287 7.464 5.306 1.00 53.44 H new ATOM 0 HD21 LEU A 19 3.041 9.182 7.815 1.00 42.54 H new ATOM 0 HD22 LEU A 19 2.510 9.937 6.293 1.00 42.54 H new ATOM 0 HD23 LEU A 19 1.642 10.283 7.808 1.00 42.54 H new ATOM 285 N GLY A 20 -1.845 7.526 7.969 1.00 55.22 N ATOM 286 CA GLY A 20 -2.443 6.795 9.056 1.00 44.55 C ATOM 287 C GLY A 20 -3.048 5.605 8.437 1.00 14.20 C ATOM 288 O GLY A 20 -4.151 5.201 8.774 1.00 35.41 O ATOM 0 H GLY A 20 -1.540 6.956 7.180 1.00 55.22 H new ATOM 0 HA2 GLY A 20 -1.697 6.515 9.800 1.00 44.55 H new ATOM 0 HA3 GLY A 20 -3.194 7.396 9.569 1.00 44.55 H new ATOM 292 N ILE A 21 -2.329 5.004 7.469 1.00 4.24 N ATOM 293 CA ILE A 21 -2.841 3.848 6.796 1.00 70.23 C ATOM 294 C ILE A 21 -2.378 2.701 7.666 1.00 4.52 C ATOM 295 O ILE A 21 -1.662 2.936 8.646 1.00 3.22 O ATOM 296 CB ILE A 21 -2.320 3.687 5.353 1.00 61.51 C ATOM 297 CG1 ILE A 21 -1.932 5.067 4.726 1.00 14.24 C ATOM 298 CG2 ILE A 21 -3.402 2.957 4.521 1.00 63.14 C ATOM 299 CD1 ILE A 21 -3.116 6.039 4.538 1.00 42.25 C ATOM 0 H ILE A 21 -1.408 5.312 7.156 1.00 4.24 H new ATOM 0 HA ILE A 21 -3.923 3.908 6.677 1.00 70.23 H new ATOM 0 HB ILE A 21 -1.407 3.091 5.356 1.00 61.51 H new ATOM 0 HG12 ILE A 21 -1.185 5.543 5.361 1.00 14.24 H new ATOM 0 HG13 ILE A 21 -1.464 4.893 3.757 1.00 14.24 H new ATOM 0 HG21 ILE A 21 -3.051 2.834 3.496 1.00 63.14 H new ATOM 0 HG22 ILE A 21 -3.598 1.978 4.958 1.00 63.14 H new ATOM 0 HG23 ILE A 21 -4.320 3.545 4.522 1.00 63.14 H new ATOM 0 HD11 ILE A 21 -2.757 6.969 4.098 1.00 42.25 H new ATOM 0 HD12 ILE A 21 -3.856 5.587 3.877 1.00 42.25 H new ATOM 0 HD13 ILE A 21 -3.573 6.248 5.505 1.00 42.25 H new ATOM 311 N CYS A 22 -2.759 1.461 7.366 1.00 23.34 N ATOM 312 CA CYS A 22 -2.349 0.386 8.241 1.00 64.23 C ATOM 313 C CYS A 22 -2.181 -0.778 7.372 1.00 35.14 C ATOM 314 O CYS A 22 -2.588 -0.760 6.212 1.00 72.23 O ATOM 315 CB CYS A 22 -3.460 0.011 9.270 1.00 62.05 C ATOM 316 SG CYS A 22 -4.059 1.458 10.210 1.00 73.30 S ATOM 0 H CYS A 22 -3.324 1.191 6.561 1.00 23.34 H new ATOM 0 HA CYS A 22 -1.455 0.683 8.789 1.00 64.23 H new ATOM 0 HB2 CYS A 22 -4.297 -0.449 8.745 1.00 62.05 H new ATOM 0 HB3 CYS A 22 -3.071 -0.734 9.964 1.00 62.05 H new ATOM 321 N VAL A 23 -1.416 -1.760 7.856 1.00 70.24 N ATOM 322 CA VAL A 23 -0.921 -2.770 6.994 1.00 22.41 C ATOM 323 C VAL A 23 -0.767 -4.024 7.800 1.00 13.14 C ATOM 324 O VAL A 23 -0.853 -4.015 9.032 1.00 73.13 O ATOM 325 CB VAL A 23 0.429 -2.407 6.369 1.00 42.31 C ATOM 326 CG1 VAL A 23 0.167 -1.456 5.168 1.00 23.22 C ATOM 327 CG2 VAL A 23 1.359 -1.788 7.451 1.00 53.42 C ATOM 0 H VAL A 23 -1.143 -1.854 8.834 1.00 70.24 H new ATOM 0 HA VAL A 23 -1.627 -2.896 6.173 1.00 22.41 H new ATOM 0 HB VAL A 23 0.945 -3.289 5.991 1.00 42.31 H new ATOM 0 HG11 VAL A 23 1.116 -1.183 4.706 1.00 23.22 H new ATOM 0 HG12 VAL A 23 -0.462 -1.961 4.435 1.00 23.22 H new ATOM 0 HG13 VAL A 23 -0.337 -0.556 5.520 1.00 23.22 H new ATOM 0 HG21 VAL A 23 2.319 -1.531 7.002 1.00 53.42 H new ATOM 0 HG22 VAL A 23 0.896 -0.889 7.857 1.00 53.42 H new ATOM 0 HG23 VAL A 23 1.515 -2.510 8.253 1.00 53.42 H new ATOM 337 N THR A 24 -0.564 -5.137 7.095 1.00 44.35 N ATOM 338 CA THR A 24 -0.397 -6.403 7.722 1.00 53.22 C ATOM 339 C THR A 24 0.144 -7.301 6.633 1.00 34.24 C ATOM 340 O THR A 24 0.166 -6.909 5.467 1.00 63.41 O ATOM 341 CB THR A 24 -1.712 -6.966 8.312 1.00 63.11 C ATOM 342 OG1 THR A 24 -1.501 -8.206 8.996 1.00 40.11 O ATOM 343 CG2 THR A 24 -2.773 -7.123 7.189 1.00 60.23 C ATOM 0 H THR A 24 -0.514 -5.163 6.077 1.00 44.35 H new ATOM 0 HA THR A 24 0.273 -6.328 8.579 1.00 53.22 H new ATOM 0 HB THR A 24 -2.082 -6.255 9.051 1.00 63.11 H new ATOM 0 HG1 THR A 24 -2.353 -8.530 9.356 1.00 40.11 H new ATOM 0 HG21 THR A 24 -3.695 -7.520 7.613 1.00 60.23 H new ATOM 0 HG22 THR A 24 -2.970 -6.151 6.736 1.00 60.23 H new ATOM 0 HG23 THR A 24 -2.399 -7.808 6.428 1.00 60.23 H new ATOM 351 N GLY A 25 0.601 -8.511 7.000 1.00 21.33 N ATOM 352 CA GLY A 25 1.134 -9.440 6.039 1.00 5.22 C ATOM 353 C GLY A 25 2.597 -9.184 5.925 1.00 25.43 C ATOM 354 O GLY A 25 3.278 -8.941 6.924 1.00 25.12 O ATOM 0 H GLY A 25 0.604 -8.851 7.962 1.00 21.33 H new ATOM 0 HA2 GLY A 25 0.949 -10.466 6.356 1.00 5.22 H new ATOM 0 HA3 GLY A 25 0.647 -9.312 5.072 1.00 5.22 H new ATOM 358 N GLY A 26 3.117 -9.217 4.696 1.00 64.02 N ATOM 359 CA GLY A 26 4.484 -8.854 4.462 1.00 10.45 C ATOM 360 C GLY A 26 5.300 -10.084 4.298 1.00 23.42 C ATOM 361 O GLY A 26 5.518 -10.545 3.190 1.00 31.24 O ATOM 0 H GLY A 26 2.600 -9.493 3.861 1.00 64.02 H new ATOM 0 HA2 GLY A 26 4.559 -8.233 3.569 1.00 10.45 H new ATOM 0 HA3 GLY A 26 4.862 -8.262 5.295 1.00 10.45 H new ATOM 365 N VAL A 27 5.807 -10.621 5.435 1.00 53.24 N ATOM 366 CA VAL A 27 6.878 -11.631 5.446 1.00 42.12 C ATOM 367 C VAL A 27 6.397 -13.011 4.995 1.00 71.22 C ATOM 368 O VAL A 27 7.042 -14.019 5.273 1.00 14.24 O ATOM 369 CB VAL A 27 7.603 -11.752 6.778 1.00 41.13 C ATOM 370 CG1 VAL A 27 9.115 -11.736 6.469 1.00 2.04 C ATOM 371 CG2 VAL A 27 7.147 -10.613 7.719 1.00 11.20 C ATOM 0 H VAL A 27 5.481 -10.362 6.366 1.00 53.24 H new ATOM 0 HA VAL A 27 7.597 -11.255 4.718 1.00 42.12 H new ATOM 0 HB VAL A 27 7.369 -12.679 7.302 1.00 41.13 H new ATOM 0 HG11 VAL A 27 9.677 -11.821 7.399 1.00 2.04 H new ATOM 0 HG12 VAL A 27 9.362 -12.574 5.818 1.00 2.04 H new ATOM 0 HG13 VAL A 27 9.375 -10.801 5.972 1.00 2.04 H new ATOM 0 HG21 VAL A 27 7.666 -10.700 8.673 1.00 11.20 H new ATOM 0 HG22 VAL A 27 7.381 -9.650 7.265 1.00 11.20 H new ATOM 0 HG23 VAL A 27 6.072 -10.685 7.883 1.00 11.20 H new ATOM 381 N ASN A 28 5.239 -13.060 4.342 1.00 44.44 N ATOM 382 CA ASN A 28 4.679 -14.299 3.755 1.00 32.24 C ATOM 383 C ASN A 28 3.970 -15.076 4.822 1.00 12.20 C ATOM 384 O ASN A 28 3.493 -16.179 4.598 1.00 2.31 O ATOM 385 CB ASN A 28 5.686 -15.202 2.972 1.00 15.25 C ATOM 386 CG ASN A 28 4.932 -16.030 1.920 1.00 13.30 C ATOM 387 OD1 ASN A 28 3.715 -15.884 1.730 1.00 22.34 O ATOM 388 ND2 ASN A 28 5.657 -16.903 1.200 1.00 74.13 N ATOM 0 H ASN A 28 4.649 -12.240 4.198 1.00 44.44 H new ATOM 0 HA ASN A 28 3.982 -13.969 2.984 1.00 32.24 H new ATOM 0 HB2 ASN A 28 6.443 -14.584 2.488 1.00 15.25 H new ATOM 0 HB3 ASN A 28 6.209 -15.864 3.663 1.00 15.25 H new ATOM 0 HD21 ASN A 28 5.208 -17.465 0.477 1.00 74.13 H new ATOM 0 HD22 ASN A 28 6.657 -17.004 1.377 1.00 74.13 H new ATOM 395 N THR A 29 3.863 -14.440 6.008 1.00 0.34 N ATOM 396 CA THR A 29 2.904 -14.770 7.065 1.00 31.43 C ATOM 397 C THR A 29 1.452 -14.975 6.484 1.00 31.43 C ATOM 398 O THR A 29 1.267 -15.097 5.302 1.00 4.12 O ATOM 399 CB THR A 29 2.938 -13.728 8.201 1.00 54.42 C ATOM 400 OG1 THR A 29 2.203 -14.144 9.349 1.00 2.40 O ATOM 401 CG2 THR A 29 2.422 -12.365 7.682 1.00 22.21 C ATOM 0 H THR A 29 4.467 -13.656 6.257 1.00 0.34 H new ATOM 0 HA THR A 29 3.205 -15.722 7.501 1.00 31.43 H new ATOM 0 HB THR A 29 3.976 -13.625 8.519 1.00 54.42 H new ATOM 0 HG1 THR A 29 2.256 -13.451 10.040 1.00 2.40 H new ATOM 0 HG21 THR A 29 2.449 -11.634 8.490 1.00 22.21 H new ATOM 0 HG22 THR A 29 3.055 -12.024 6.863 1.00 22.21 H new ATOM 0 HG23 THR A 29 1.397 -12.475 7.327 1.00 22.21 H new ATOM 409 N SER A 30 0.439 -15.083 7.382 1.00 25.24 N ATOM 410 CA SER A 30 -0.939 -15.555 7.093 1.00 71.21 C ATOM 411 C SER A 30 -1.484 -15.161 5.709 1.00 61.10 C ATOM 412 O SER A 30 -2.166 -15.968 5.067 1.00 72.54 O ATOM 413 CB SER A 30 -1.941 -15.076 8.156 1.00 70.14 C ATOM 414 OG SER A 30 -1.452 -15.402 9.464 1.00 61.52 O ATOM 0 H SER A 30 0.565 -14.834 8.363 1.00 25.24 H new ATOM 0 HA SER A 30 -0.843 -16.641 7.109 1.00 71.21 H new ATOM 0 HB2 SER A 30 -2.089 -14.000 8.071 1.00 70.14 H new ATOM 0 HB3 SER A 30 -2.911 -15.545 7.993 1.00 70.14 H new ATOM 0 HG SER A 30 -2.092 -15.094 10.139 1.00 61.52 H new ATOM 420 N VAL A 31 -1.223 -13.926 5.238 1.00 4.14 N ATOM 421 CA VAL A 31 -1.806 -13.474 3.990 1.00 12.41 C ATOM 422 C VAL A 31 -1.114 -14.206 2.835 1.00 32.01 C ATOM 423 O VAL A 31 0.072 -14.512 2.897 1.00 31.02 O ATOM 424 CB VAL A 31 -1.715 -11.984 3.792 1.00 1.40 C ATOM 425 CG1 VAL A 31 -2.499 -11.297 4.936 1.00 34.13 C ATOM 426 CG2 VAL A 31 -0.229 -11.552 3.724 1.00 31.41 C ATOM 0 H VAL A 31 -0.622 -13.245 5.703 1.00 4.14 H new ATOM 0 HA VAL A 31 -2.870 -13.707 4.018 1.00 12.41 H new ATOM 0 HB VAL A 31 -2.164 -11.679 2.847 1.00 1.40 H new ATOM 0 HG11 VAL A 31 -2.447 -10.215 4.814 1.00 34.13 H new ATOM 0 HG12 VAL A 31 -3.541 -11.616 4.906 1.00 34.13 H new ATOM 0 HG13 VAL A 31 -2.062 -11.575 5.895 1.00 34.13 H new ATOM 0 HG21 VAL A 31 -0.170 -10.473 3.581 1.00 31.41 H new ATOM 0 HG22 VAL A 31 0.271 -11.822 4.654 1.00 31.41 H new ATOM 0 HG23 VAL A 31 0.259 -12.056 2.890 1.00 31.41 H new ATOM 436 N ARG A 32 -1.882 -14.558 1.787 1.00 0.11 N ATOM 437 CA ARG A 32 -1.414 -15.477 0.756 1.00 41.15 C ATOM 438 C ARG A 32 -0.275 -14.907 -0.054 1.00 2.52 C ATOM 439 O ARG A 32 0.774 -15.519 -0.144 1.00 45.53 O ATOM 440 CB ARG A 32 -2.529 -15.867 -0.232 1.00 63.12 C ATOM 441 CG ARG A 32 -3.613 -16.727 0.408 1.00 22.35 C ATOM 442 CD ARG A 32 -4.737 -17.108 -0.566 1.00 51.30 C ATOM 443 NE ARG A 32 -5.607 -18.113 0.121 1.00 72.33 N ATOM 444 CZ ARG A 32 -6.828 -18.481 -0.389 1.00 42.00 C ATOM 445 NH1 ARG A 32 -7.322 -17.879 -1.517 1.00 4.31 N ATOM 446 NH2 ARG A 32 -7.547 -19.458 0.235 1.00 21.44 N ATOM 0 H ARG A 32 -2.831 -14.214 1.640 1.00 0.11 H new ATOM 0 HA ARG A 32 -1.076 -16.356 1.305 1.00 41.15 H new ATOM 0 HB2 ARG A 32 -2.982 -14.962 -0.637 1.00 63.12 H new ATOM 0 HB3 ARG A 32 -2.091 -16.408 -1.071 1.00 63.12 H new ATOM 0 HG2 ARG A 32 -3.160 -17.636 0.803 1.00 22.35 H new ATOM 0 HG3 ARG A 32 -4.041 -16.190 1.254 1.00 22.35 H new ATOM 0 HD2 ARG A 32 -5.316 -16.228 -0.846 1.00 51.30 H new ATOM 0 HD3 ARG A 32 -4.323 -17.524 -1.485 1.00 51.30 H new ATOM 0 HE ARG A 32 -5.285 -18.536 0.991 1.00 72.33 H new ATOM 0 HH11 ARG A 32 -6.782 -17.151 -1.985 1.00 4.31 H new ATOM 0 HH12 ARG A 32 -8.230 -18.159 -1.889 1.00 4.31 H new ATOM 0 HH21 ARG A 32 -7.177 -19.908 1.072 1.00 21.44 H new ATOM 0 HH22 ARG A 32 -8.455 -19.739 -0.136 1.00 21.44 H new ATOM 460 N HIS A 33 -0.482 -13.748 -0.729 1.00 51.41 N ATOM 461 CA HIS A 33 0.460 -13.312 -1.794 1.00 70.35 C ATOM 462 C HIS A 33 1.749 -12.755 -1.187 1.00 0.43 C ATOM 463 O HIS A 33 2.534 -12.140 -1.883 1.00 5.25 O ATOM 464 CB HIS A 33 -0.139 -12.244 -2.775 1.00 45.40 C ATOM 465 CG HIS A 33 0.763 -11.935 -3.969 1.00 65.21 C ATOM 466 ND1 HIS A 33 0.526 -10.898 -4.850 1.00 3.11 N ATOM 467 CD2 HIS A 33 1.896 -12.541 -4.379 1.00 44.54 C ATOM 468 CE1 HIS A 33 1.507 -10.884 -5.741 1.00 43.12 C ATOM 469 NE2 HIS A 33 2.346 -11.870 -5.467 1.00 15.20 N ATOM 0 H HIS A 33 -1.265 -13.116 -0.564 1.00 51.41 H new ATOM 0 HA HIS A 33 0.666 -14.210 -2.377 1.00 70.35 H new ATOM 0 HB2 HIS A 33 -1.103 -12.599 -3.141 1.00 45.40 H new ATOM 0 HB3 HIS A 33 -0.327 -11.322 -2.224 1.00 45.40 H new ATOM 0 HD1 HIS A 33 -0.266 -10.255 -4.820 1.00 3.11 H new ATOM 0 HD2 HIS A 33 2.360 -13.403 -3.923 1.00 44.54 H new ATOM 0 HE1 HIS A 33 1.606 -10.183 -6.557 1.00 43.12 H new ATOM 478 N GLY A 34 1.997 -13.014 0.123 1.00 33.22 N ATOM 479 CA GLY A 34 3.231 -12.592 0.820 1.00 54.41 C ATOM 480 C GLY A 34 3.526 -11.169 0.494 1.00 52.32 C ATOM 481 O GLY A 34 4.570 -10.835 -0.045 1.00 10.15 O ATOM 0 H GLY A 34 1.345 -13.521 0.722 1.00 33.22 H new ATOM 0 HA2 GLY A 34 3.112 -12.712 1.897 1.00 54.41 H new ATOM 0 HA3 GLY A 34 4.066 -13.225 0.519 1.00 54.41 H new ATOM 485 N GLY A 35 2.581 -10.317 0.779 1.00 0.34 N ATOM 486 CA GLY A 35 2.699 -8.960 0.435 1.00 61.23 C ATOM 487 C GLY A 35 2.024 -8.285 1.516 1.00 10.20 C ATOM 488 O GLY A 35 1.505 -8.939 2.431 1.00 12.51 O ATOM 0 H GLY A 35 1.714 -10.561 1.257 1.00 0.34 H new ATOM 0 HA2 GLY A 35 3.742 -8.654 0.358 1.00 61.23 H new ATOM 0 HA3 GLY A 35 2.232 -8.747 -0.527 1.00 61.23 H new ATOM 492 N ILE A 36 2.014 -6.979 1.466 1.00 44.33 N ATOM 493 CA ILE A 36 1.415 -6.206 2.468 1.00 3.22 C ATOM 494 C ILE A 36 0.042 -5.963 2.030 1.00 31.33 C ATOM 495 O ILE A 36 -0.199 -5.625 0.888 1.00 14.42 O ATOM 496 CB ILE A 36 2.146 -4.912 2.660 1.00 32.43 C ATOM 497 CG1 ILE A 36 3.425 -5.217 3.392 1.00 71.20 C ATOM 498 CG2 ILE A 36 1.273 -3.893 3.385 1.00 11.43 C ATOM 499 CD1 ILE A 36 3.193 -5.648 4.817 1.00 25.22 C ATOM 0 H ILE A 36 2.432 -6.436 0.710 1.00 44.33 H new ATOM 0 HA ILE A 36 1.441 -6.723 3.427 1.00 3.22 H new ATOM 0 HB ILE A 36 2.388 -4.454 1.701 1.00 32.43 H new ATOM 0 HG12 ILE A 36 3.963 -6.003 2.862 1.00 71.20 H new ATOM 0 HG13 ILE A 36 4.063 -4.333 3.384 1.00 71.20 H new ATOM 0 HG21 ILE A 36 1.828 -2.963 3.511 1.00 11.43 H new ATOM 0 HG22 ILE A 36 0.374 -3.702 2.799 1.00 11.43 H new ATOM 0 HG23 ILE A 36 0.993 -4.284 4.363 1.00 11.43 H new ATOM 0 HD11 ILE A 36 4.151 -5.855 5.295 1.00 25.22 H new ATOM 0 HD12 ILE A 36 2.681 -4.853 5.359 1.00 25.22 H new ATOM 0 HD13 ILE A 36 2.580 -6.549 4.829 1.00 25.22 H new ATOM 511 N TYR A 37 -0.906 -6.181 2.927 1.00 32.40 N ATOM 512 CA TYR A 37 -2.290 -5.987 2.594 1.00 12.21 C ATOM 513 C TYR A 37 -2.667 -4.787 3.365 1.00 72.12 C ATOM 514 O TYR A 37 -2.117 -4.546 4.452 1.00 0.41 O ATOM 515 CB TYR A 37 -3.242 -7.144 3.063 1.00 64.21 C ATOM 516 CG TYR A 37 -3.080 -8.388 2.186 1.00 33.05 C ATOM 517 CD1 TYR A 37 -1.799 -8.902 1.825 1.00 52.14 C ATOM 518 CD2 TYR A 37 -4.231 -9.090 1.740 1.00 40.20 C ATOM 519 CE1 TYR A 37 -1.680 -10.053 1.035 1.00 33.44 C ATOM 520 CE2 TYR A 37 -4.102 -10.259 0.964 1.00 14.21 C ATOM 521 CZ TYR A 37 -2.821 -10.737 0.614 1.00 44.05 C ATOM 522 OH TYR A 37 -2.681 -11.901 -0.162 1.00 44.42 O ATOM 0 H TYR A 37 -0.735 -6.491 3.884 1.00 32.40 H new ATOM 0 HA TYR A 37 -2.394 -5.927 1.511 1.00 12.21 H new ATOM 0 HB2 TYR A 37 -3.026 -7.398 4.101 1.00 64.21 H new ATOM 0 HB3 TYR A 37 -4.277 -6.803 3.027 1.00 64.21 H new ATOM 0 HD1 TYR A 37 -0.908 -8.396 2.166 1.00 52.14 H new ATOM 0 HD2 TYR A 37 -5.214 -8.725 1.998 1.00 40.20 H new ATOM 0 HE1 TYR A 37 -0.702 -10.412 0.751 1.00 33.44 H new ATOM 0 HE2 TYR A 37 -4.984 -10.790 0.637 1.00 14.21 H new ATOM 0 HH TYR A 37 -3.567 -12.261 -0.374 1.00 44.42 H new ATOM 532 N VAL A 38 -3.598 -3.990 2.838 1.00 23.02 N ATOM 533 CA VAL A 38 -4.037 -2.826 3.533 1.00 54.33 C ATOM 534 C VAL A 38 -5.036 -3.291 4.574 1.00 53.23 C ATOM 535 O VAL A 38 -6.181 -3.644 4.266 1.00 30.23 O ATOM 536 CB VAL A 38 -4.675 -1.799 2.620 1.00 71.52 C ATOM 537 CG1 VAL A 38 -5.051 -0.560 3.449 1.00 24.51 C ATOM 538 CG2 VAL A 38 -3.663 -1.477 1.492 1.00 41.40 C ATOM 0 H VAL A 38 -4.048 -4.146 1.936 1.00 23.02 H new ATOM 0 HA VAL A 38 -3.177 -2.330 3.983 1.00 54.33 H new ATOM 0 HB VAL A 38 -5.592 -2.170 2.163 1.00 71.52 H new ATOM 0 HG11 VAL A 38 -5.511 0.186 2.801 1.00 24.51 H new ATOM 0 HG12 VAL A 38 -5.755 -0.845 4.231 1.00 24.51 H new ATOM 0 HG13 VAL A 38 -4.154 -0.141 3.904 1.00 24.51 H new ATOM 0 HG21 VAL A 38 -4.094 -0.738 0.816 1.00 41.40 H new ATOM 0 HG22 VAL A 38 -2.747 -1.079 1.928 1.00 41.40 H new ATOM 0 HG23 VAL A 38 -3.435 -2.387 0.937 1.00 41.40 H new ATOM 548 N LYS A 39 -4.555 -3.335 5.830 1.00 63.23 N ATOM 549 CA LYS A 39 -5.303 -3.863 6.952 1.00 33.50 C ATOM 550 C LYS A 39 -6.430 -2.930 7.295 1.00 62.10 C ATOM 551 O LYS A 39 -7.528 -3.366 7.636 1.00 11.33 O ATOM 552 CB LYS A 39 -4.403 -3.955 8.217 1.00 34.40 C ATOM 553 CG LYS A 39 -5.002 -4.782 9.351 1.00 54.23 C ATOM 554 CD LYS A 39 -4.260 -4.627 10.684 1.00 51.23 C ATOM 555 CE LYS A 39 -4.742 -5.606 11.771 1.00 3.44 C ATOM 556 NZ LYS A 39 -6.206 -5.536 11.953 1.00 4.22 N ATOM 0 H LYS A 39 -3.626 -2.998 6.082 1.00 63.23 H new ATOM 0 HA LYS A 39 -5.671 -4.849 6.668 1.00 33.50 H new ATOM 0 HB2 LYS A 39 -3.443 -4.387 7.935 1.00 34.40 H new ATOM 0 HB3 LYS A 39 -4.205 -2.947 8.582 1.00 34.40 H new ATOM 0 HG2 LYS A 39 -6.044 -4.493 9.489 1.00 54.23 H new ATOM 0 HG3 LYS A 39 -4.999 -5.833 9.063 1.00 54.23 H new ATOM 0 HD2 LYS A 39 -3.193 -4.778 10.517 1.00 51.23 H new ATOM 0 HD3 LYS A 39 -4.385 -3.606 11.044 1.00 51.23 H new ATOM 0 HE2 LYS A 39 -4.456 -6.622 11.499 1.00 3.44 H new ATOM 0 HE3 LYS A 39 -4.246 -5.377 12.714 1.00 3.44 H new ATOM 0 HZ1 LYS A 39 -6.479 -6.090 12.790 1.00 4.22 H new ATOM 0 HZ2 LYS A 39 -6.492 -4.545 12.086 1.00 4.22 H new ATOM 0 HZ3 LYS A 39 -6.679 -5.923 11.112 1.00 4.22 H new ATOM 570 N ALA A 40 -6.184 -1.632 7.215 1.00 43.32 N ATOM 571 CA ALA A 40 -7.178 -0.687 7.615 1.00 24.11 C ATOM 572 C ALA A 40 -6.758 0.587 7.033 1.00 12.50 C ATOM 573 O ALA A 40 -5.584 0.779 6.742 1.00 24.42 O ATOM 574 CB ALA A 40 -7.301 -0.487 9.147 1.00 2.44 C ATOM 0 H ALA A 40 -5.311 -1.226 6.879 1.00 43.32 H new ATOM 0 HA ALA A 40 -8.150 -1.051 7.281 1.00 24.11 H new ATOM 0 HB1 ALA A 40 -8.079 0.247 9.357 1.00 2.44 H new ATOM 0 HB2 ALA A 40 -7.560 -1.435 9.618 1.00 2.44 H new ATOM 0 HB3 ALA A 40 -6.350 -0.132 9.545 1.00 2.44 H new ATOM 580 N VAL A 41 -7.712 1.485 6.824 1.00 20.31 N ATOM 581 CA VAL A 41 -7.422 2.798 6.372 1.00 4.44 C ATOM 582 C VAL A 41 -8.319 3.641 7.212 1.00 33.23 C ATOM 583 O VAL A 41 -9.446 3.218 7.516 1.00 14.30 O ATOM 584 CB VAL A 41 -7.798 3.028 4.895 1.00 52.11 C ATOM 585 CG1 VAL A 41 -7.269 4.399 4.425 1.00 53.20 C ATOM 586 CG2 VAL A 41 -7.234 1.872 4.054 1.00 54.42 C ATOM 0 H VAL A 41 -8.705 1.302 6.970 1.00 20.31 H new ATOM 0 HA VAL A 41 -6.356 3.012 6.449 1.00 4.44 H new ATOM 0 HB VAL A 41 -8.881 3.043 4.774 1.00 52.11 H new ATOM 0 HG11 VAL A 41 -7.539 4.554 3.380 1.00 53.20 H new ATOM 0 HG12 VAL A 41 -7.710 5.188 5.035 1.00 53.20 H new ATOM 0 HG13 VAL A 41 -6.184 4.425 4.527 1.00 53.20 H new ATOM 0 HG21 VAL A 41 -7.494 2.024 3.006 1.00 54.42 H new ATOM 0 HG22 VAL A 41 -6.149 1.842 4.158 1.00 54.42 H new ATOM 0 HG23 VAL A 41 -7.658 0.929 4.400 1.00 54.42 H new ATOM 596 N ILE A 42 -7.859 4.833 7.626 1.00 50.42 N ATOM 597 CA ILE A 42 -8.741 5.767 8.295 1.00 24.44 C ATOM 598 C ILE A 42 -9.607 6.378 7.203 1.00 30.14 C ATOM 599 O ILE A 42 -9.156 6.580 6.069 1.00 63.02 O ATOM 600 CB ILE A 42 -8.054 6.869 9.134 1.00 74.14 C ATOM 601 CG1 ILE A 42 -7.367 7.977 8.281 1.00 4.43 C ATOM 602 CG2 ILE A 42 -7.105 6.179 10.133 1.00 53.03 C ATOM 603 CD1 ILE A 42 -6.284 7.463 7.355 1.00 41.53 C ATOM 0 H ILE A 42 -6.899 5.156 7.507 1.00 50.42 H new ATOM 0 HA ILE A 42 -9.310 5.215 9.043 1.00 24.44 H new ATOM 0 HB ILE A 42 -8.814 7.426 9.682 1.00 74.14 H new ATOM 0 HG12 ILE A 42 -8.126 8.486 7.687 1.00 4.43 H new ATOM 0 HG13 ILE A 42 -6.935 8.720 8.951 1.00 4.43 H new ATOM 0 HG21 ILE A 42 -6.605 6.933 10.740 1.00 53.03 H new ATOM 0 HG22 ILE A 42 -7.678 5.514 10.779 1.00 53.03 H new ATOM 0 HG23 ILE A 42 -6.360 5.601 9.587 1.00 53.03 H new ATOM 0 HD11 ILE A 42 -5.856 8.296 6.797 1.00 41.53 H new ATOM 0 HD12 ILE A 42 -5.503 6.980 7.942 1.00 41.53 H new ATOM 0 HD13 ILE A 42 -6.713 6.742 6.659 1.00 41.53 H new ATOM 615 N PRO A 43 -10.882 6.623 7.500 1.00 12.32 N ATOM 616 CA PRO A 43 -11.798 7.126 6.506 1.00 41.45 C ATOM 617 C PRO A 43 -11.460 8.548 6.329 1.00 61.21 C ATOM 618 O PRO A 43 -10.669 9.070 7.121 1.00 64.14 O ATOM 619 CB PRO A 43 -13.160 7.032 7.182 1.00 33.01 C ATOM 620 CG PRO A 43 -12.827 7.293 8.648 1.00 60.31 C ATOM 621 CD PRO A 43 -11.504 6.508 8.825 1.00 51.33 C ATOM 0 HA PRO A 43 -11.770 6.602 5.551 1.00 41.45 H new ATOM 0 HB2 PRO A 43 -13.859 7.770 6.788 1.00 33.01 H new ATOM 0 HB3 PRO A 43 -13.616 6.052 7.039 1.00 33.01 H new ATOM 0 HG2 PRO A 43 -12.701 8.356 8.854 1.00 60.31 H new ATOM 0 HG3 PRO A 43 -13.609 6.929 9.315 1.00 60.31 H new ATOM 0 HD2 PRO A 43 -10.878 6.940 9.605 1.00 51.33 H new ATOM 0 HD3 PRO A 43 -11.683 5.468 9.100 1.00 51.33 H new ATOM 629 N GLN A 44 -12.090 9.208 5.365 1.00 70.24 N ATOM 630 CA GLN A 44 -12.054 10.652 5.287 1.00 11.12 C ATOM 631 C GLN A 44 -10.663 11.150 4.901 1.00 70.33 C ATOM 632 O GLN A 44 -10.443 12.341 4.748 1.00 21.23 O ATOM 633 CB GLN A 44 -12.506 11.293 6.637 1.00 14.41 C ATOM 634 CG GLN A 44 -13.257 12.625 6.490 1.00 21.21 C ATOM 635 CD GLN A 44 -13.820 12.989 7.854 1.00 63.21 C ATOM 636 OE1 GLN A 44 -13.500 14.043 8.417 1.00 42.30 O ATOM 637 NE2 GLN A 44 -14.670 12.105 8.409 1.00 71.21 N ATOM 0 H GLN A 44 -12.632 8.759 4.627 1.00 70.24 H new ATOM 0 HA GLN A 44 -12.752 10.958 4.508 1.00 11.12 H new ATOM 0 HB2 GLN A 44 -13.146 10.586 7.164 1.00 14.41 H new ATOM 0 HB3 GLN A 44 -11.627 11.453 7.261 1.00 14.41 H new ATOM 0 HG2 GLN A 44 -12.585 13.406 6.132 1.00 21.21 H new ATOM 0 HG3 GLN A 44 -14.059 12.534 5.757 1.00 21.21 H new ATOM 0 HE21 GLN A 44 -14.909 11.247 7.913 1.00 71.21 H new ATOM 0 HE22 GLN A 44 -15.075 12.294 9.326 1.00 71.21 H new ATOM 646 N GLY A 45 -9.706 10.230 4.754 1.00 1.42 N ATOM 647 CA GLY A 45 -8.338 10.585 4.475 1.00 34.54 C ATOM 648 C GLY A 45 -8.161 10.527 3.007 1.00 63.01 C ATOM 649 O GLY A 45 -9.100 10.270 2.270 1.00 20.51 O ATOM 0 H GLY A 45 -9.870 9.226 4.827 1.00 1.42 H new ATOM 0 HA2 GLY A 45 -8.116 11.584 4.850 1.00 34.54 H new ATOM 0 HA3 GLY A 45 -7.653 9.898 4.972 1.00 34.54 H new ATOM 653 N ALA A 46 -6.912 10.754 2.549 1.00 75.52 N ATOM 654 CA ALA A 46 -6.631 10.860 1.129 1.00 3.40 C ATOM 655 C ALA A 46 -6.890 9.526 0.502 1.00 74.20 C ATOM 656 O ALA A 46 -7.642 9.419 -0.443 1.00 23.11 O ATOM 657 CB ALA A 46 -5.173 11.241 0.828 1.00 4.31 C ATOM 0 H ALA A 46 -6.096 10.865 3.150 1.00 75.52 H new ATOM 0 HA ALA A 46 -7.271 11.647 0.730 1.00 3.40 H new ATOM 0 HB1 ALA A 46 -5.029 11.304 -0.251 1.00 4.31 H new ATOM 0 HB2 ALA A 46 -4.948 12.207 1.281 1.00 4.31 H new ATOM 0 HB3 ALA A 46 -4.506 10.483 1.240 1.00 4.31 H new ATOM 663 N ALA A 47 -6.264 8.465 1.070 1.00 73.44 N ATOM 664 CA ALA A 47 -6.375 7.112 0.525 1.00 0.04 C ATOM 665 C ALA A 47 -7.830 6.728 0.344 1.00 25.25 C ATOM 666 O ALA A 47 -8.225 6.283 -0.739 1.00 14.13 O ATOM 667 CB ALA A 47 -5.716 6.060 1.443 1.00 74.02 C ATOM 0 H ALA A 47 -5.681 8.533 1.904 1.00 73.44 H new ATOM 0 HA ALA A 47 -5.858 7.123 -0.434 1.00 0.04 H new ATOM 0 HB1 ALA A 47 -5.823 5.071 0.998 1.00 74.02 H new ATOM 0 HB2 ALA A 47 -4.658 6.292 1.561 1.00 74.02 H new ATOM 0 HB3 ALA A 47 -6.202 6.073 2.419 1.00 74.02 H new ATOM 673 N GLU A 48 -8.657 6.921 1.384 1.00 13.33 N ATOM 674 CA GLU A 48 -10.067 6.578 1.307 1.00 52.45 C ATOM 675 C GLU A 48 -10.766 7.454 0.264 1.00 33.35 C ATOM 676 O GLU A 48 -11.409 6.951 -0.648 1.00 22.31 O ATOM 677 CB GLU A 48 -10.782 6.790 2.667 1.00 22.12 C ATOM 678 CG GLU A 48 -12.263 6.397 2.663 1.00 34.13 C ATOM 679 CD GLU A 48 -12.361 4.924 2.359 1.00 22.24 C ATOM 680 OE1 GLU A 48 -11.795 4.124 3.124 1.00 12.24 O ATOM 681 OE2 GLU A 48 -13.004 4.558 1.342 1.00 14.33 O ATOM 0 H GLU A 48 -8.365 7.312 2.280 1.00 13.33 H new ATOM 0 HA GLU A 48 -10.126 5.525 1.030 1.00 52.45 H new ATOM 0 HB2 GLU A 48 -10.265 6.210 3.431 1.00 22.12 H new ATOM 0 HB3 GLU A 48 -10.696 7.839 2.951 1.00 22.12 H new ATOM 0 HG2 GLU A 48 -12.717 6.616 3.630 1.00 34.13 H new ATOM 0 HG3 GLU A 48 -12.807 6.976 1.917 1.00 34.13 H new ATOM 688 N SER A 49 -10.670 8.776 0.414 1.00 34.13 N ATOM 689 CA SER A 49 -11.432 9.721 -0.405 1.00 43.40 C ATOM 690 C SER A 49 -11.038 9.639 -1.871 1.00 73.41 C ATOM 691 O SER A 49 -11.871 9.878 -2.761 1.00 54.31 O ATOM 692 CB SER A 49 -11.227 11.162 0.075 1.00 42.24 C ATOM 693 OG SER A 49 -11.712 11.283 1.420 1.00 31.03 O ATOM 0 H SER A 49 -10.064 9.221 1.104 1.00 34.13 H new ATOM 0 HA SER A 49 -12.481 9.444 -0.299 1.00 43.40 H new ATOM 0 HB2 SER A 49 -10.170 11.426 0.031 1.00 42.24 H new ATOM 0 HB3 SER A 49 -11.756 11.855 -0.579 1.00 42.24 H new ATOM 0 HG SER A 49 -11.022 10.978 2.045 1.00 31.03 H new ATOM 699 N ASP A 50 -9.784 9.277 -2.160 1.00 63.21 N ATOM 700 CA ASP A 50 -9.322 9.217 -3.545 1.00 2.40 C ATOM 701 C ASP A 50 -9.867 7.915 -4.106 1.00 72.35 C ATOM 702 O ASP A 50 -10.305 7.831 -5.260 1.00 24.21 O ATOM 703 CB ASP A 50 -7.770 9.246 -3.666 1.00 52.01 C ATOM 704 CG ASP A 50 -7.334 9.556 -5.105 1.00 34.01 C ATOM 705 OD1 ASP A 50 -8.183 9.581 -6.018 1.00 74.35 O ATOM 706 OD2 ASP A 50 -6.121 9.778 -5.328 1.00 23.44 O ATOM 0 H ASP A 50 -9.082 9.025 -1.464 1.00 63.21 H new ATOM 0 HA ASP A 50 -9.674 10.091 -4.093 1.00 2.40 H new ATOM 0 HB2 ASP A 50 -7.363 9.998 -2.989 1.00 52.01 H new ATOM 0 HB3 ASP A 50 -7.360 8.284 -3.358 1.00 52.01 H new ATOM 711 N GLY A 51 -9.945 6.887 -3.235 1.00 30.44 N ATOM 712 CA GLY A 51 -10.591 5.638 -3.595 1.00 61.21 C ATOM 713 C GLY A 51 -9.615 4.781 -4.308 1.00 12.31 C ATOM 714 O GLY A 51 -9.985 3.832 -4.988 1.00 3.13 O ATOM 0 H GLY A 51 -9.567 6.911 -2.288 1.00 30.44 H new ATOM 0 HA2 GLY A 51 -10.956 5.131 -2.702 1.00 61.21 H new ATOM 0 HA3 GLY A 51 -11.457 5.830 -4.228 1.00 61.21 H new ATOM 718 N ARG A 52 -8.319 5.091 -4.181 1.00 61.44 N ATOM 719 CA ARG A 52 -7.308 4.357 -4.900 1.00 2.14 C ATOM 720 C ARG A 52 -6.882 3.222 -4.050 1.00 22.32 C ATOM 721 O ARG A 52 -6.038 2.437 -4.439 1.00 0.33 O ATOM 722 CB ARG A 52 -6.067 5.229 -5.126 1.00 43.22 C ATOM 723 CG ARG A 52 -6.382 6.522 -5.872 1.00 13.13 C ATOM 724 CD ARG A 52 -6.858 6.313 -7.320 1.00 34.25 C ATOM 725 NE ARG A 52 -7.760 7.462 -7.670 1.00 31.35 N ATOM 726 CZ ARG A 52 -8.741 7.343 -8.620 1.00 13.12 C ATOM 727 NH1 ARG A 52 -8.824 6.215 -9.396 1.00 75.50 N ATOM 728 NH2 ARG A 52 -9.636 8.353 -8.776 1.00 75.50 N ATOM 0 H ARG A 52 -7.962 5.841 -3.589 1.00 61.44 H new ATOM 0 HA ARG A 52 -7.717 4.035 -5.858 1.00 2.14 H new ATOM 0 HB2 ARG A 52 -5.618 5.471 -4.163 1.00 43.22 H new ATOM 0 HB3 ARG A 52 -5.327 4.661 -5.689 1.00 43.22 H new ATOM 0 HG2 ARG A 52 -7.150 7.067 -5.324 1.00 13.13 H new ATOM 0 HG3 ARG A 52 -5.491 7.150 -5.881 1.00 13.13 H new ATOM 0 HD2 ARG A 52 -6.008 6.272 -8.001 1.00 34.25 H new ATOM 0 HD3 ARG A 52 -7.389 5.366 -7.416 1.00 34.25 H new ATOM 0 HE ARG A 52 -7.640 8.353 -7.189 1.00 31.35 H new ATOM 0 HH11 ARG A 52 -8.153 5.458 -9.268 1.00 75.50 H new ATOM 0 HH12 ARG A 52 -9.557 6.134 -10.101 1.00 75.50 H new ATOM 0 HH21 ARG A 52 -9.572 9.186 -8.190 1.00 75.50 H new ATOM 0 HH22 ARG A 52 -10.371 8.279 -9.479 1.00 75.50 H new ATOM 742 N ILE A 53 -7.441 3.148 -2.850 1.00 31.15 N ATOM 743 CA ILE A 53 -6.991 2.247 -1.872 1.00 23.31 C ATOM 744 C ILE A 53 -8.237 1.886 -1.141 1.00 5.21 C ATOM 745 O ILE A 53 -9.148 2.717 -0.965 1.00 63.10 O ATOM 746 CB ILE A 53 -5.962 2.893 -0.905 1.00 2.11 C ATOM 747 CG1 ILE A 53 -4.627 3.127 -1.642 1.00 40.42 C ATOM 748 CG2 ILE A 53 -5.760 2.020 0.349 1.00 74.13 C ATOM 749 CD1 ILE A 53 -3.663 4.070 -0.926 1.00 74.43 C ATOM 0 H ILE A 53 -8.225 3.729 -2.554 1.00 31.15 H new ATOM 0 HA ILE A 53 -6.473 1.393 -2.309 1.00 23.31 H new ATOM 0 HB ILE A 53 -6.349 3.856 -0.572 1.00 2.11 H new ATOM 0 HG12 ILE A 53 -4.134 2.166 -1.787 1.00 40.42 H new ATOM 0 HG13 ILE A 53 -4.839 3.529 -2.633 1.00 40.42 H new ATOM 0 HG21 ILE A 53 -5.035 2.495 1.010 1.00 74.13 H new ATOM 0 HG22 ILE A 53 -6.710 1.909 0.872 1.00 74.13 H new ATOM 0 HG23 ILE A 53 -5.392 1.037 0.053 1.00 74.13 H new ATOM 0 HD11 ILE A 53 -2.752 4.176 -1.516 1.00 74.43 H new ATOM 0 HD12 ILE A 53 -4.132 5.046 -0.804 1.00 74.43 H new ATOM 0 HD13 ILE A 53 -3.415 3.662 0.054 1.00 74.43 H new ATOM 761 N HIS A 54 -8.306 0.640 -0.732 1.00 72.04 N ATOM 762 CA HIS A 54 -9.371 0.177 0.090 1.00 63.44 C ATOM 763 C HIS A 54 -8.799 -0.947 0.832 1.00 21.33 C ATOM 764 O HIS A 54 -7.710 -1.417 0.510 1.00 31.50 O ATOM 765 CB HIS A 54 -10.673 -0.267 -0.640 1.00 74.52 C ATOM 766 CG HIS A 54 -10.498 -1.334 -1.684 1.00 41.43 C ATOM 767 ND1 HIS A 54 -10.280 -2.658 -1.387 1.00 50.21 N ATOM 768 CD2 HIS A 54 -10.525 -1.226 -3.016 1.00 72.50 C ATOM 769 CE1 HIS A 54 -10.174 -3.319 -2.541 1.00 14.15 C ATOM 770 NE2 HIS A 54 -10.320 -2.457 -3.527 1.00 41.11 N ATOM 0 H HIS A 54 -7.617 -0.074 -0.968 1.00 72.04 H new ATOM 0 HA HIS A 54 -9.717 1.007 0.705 1.00 63.44 H new ATOM 0 HB2 HIS A 54 -11.382 -0.626 0.106 1.00 74.52 H new ATOM 0 HB3 HIS A 54 -11.121 0.608 -1.111 1.00 74.52 H new ATOM 0 HD1 HIS A 54 -10.212 -3.062 -0.453 1.00 50.21 H new ATOM 0 HD2 HIS A 54 -10.682 -0.319 -3.580 1.00 72.50 H new ATOM 0 HE1 HIS A 54 -9.999 -4.379 -2.649 1.00 14.15 H new ATOM 779 N LYS A 55 -9.482 -1.377 1.886 1.00 72.43 N ATOM 780 CA LYS A 55 -8.993 -2.434 2.712 1.00 1.34 C ATOM 781 C LYS A 55 -9.023 -3.705 1.894 1.00 31.22 C ATOM 782 O LYS A 55 -9.918 -3.891 1.064 1.00 5.32 O ATOM 783 CB LYS A 55 -9.807 -2.644 4.024 1.00 32.54 C ATOM 784 CG LYS A 55 -9.698 -1.475 5.045 1.00 12.31 C ATOM 785 CD LYS A 55 -10.918 -0.509 5.128 1.00 64.54 C ATOM 786 CE LYS A 55 -11.160 0.360 3.884 1.00 2.50 C ATOM 787 NZ LYS A 55 -12.329 1.245 4.055 1.00 42.51 N ATOM 0 H LYS A 55 -10.382 -0.995 2.177 1.00 72.43 H new ATOM 0 HA LYS A 55 -7.985 -2.166 3.028 1.00 1.34 H new ATOM 0 HB2 LYS A 55 -10.856 -2.788 3.766 1.00 32.54 H new ATOM 0 HB3 LYS A 55 -9.468 -3.562 4.504 1.00 32.54 H new ATOM 0 HG2 LYS A 55 -9.532 -1.901 6.035 1.00 12.31 H new ATOM 0 HG3 LYS A 55 -8.814 -0.888 4.798 1.00 12.31 H new ATOM 0 HD2 LYS A 55 -11.814 -1.099 5.317 1.00 64.54 H new ATOM 0 HD3 LYS A 55 -10.782 0.148 5.987 1.00 64.54 H new ATOM 0 HE2 LYS A 55 -10.274 0.962 3.683 1.00 2.50 H new ATOM 0 HE3 LYS A 55 -11.313 -0.282 3.016 1.00 2.50 H new ATOM 0 HZ1 LYS A 55 -12.092 2.202 3.723 1.00 42.51 H new ATOM 0 HZ2 LYS A 55 -13.128 0.875 3.502 1.00 42.51 H new ATOM 0 HZ3 LYS A 55 -12.592 1.283 5.061 1.00 42.51 H new ATOM 801 N GLY A 56 -8.051 -4.590 2.103 1.00 30.44 N ATOM 802 CA GLY A 56 -8.054 -5.885 1.442 1.00 13.31 C ATOM 803 C GLY A 56 -7.110 -5.854 0.275 1.00 52.52 C ATOM 804 O GLY A 56 -6.499 -6.877 -0.043 1.00 34.14 O ATOM 0 H GLY A 56 -7.256 -4.432 2.723 1.00 30.44 H new ATOM 0 HA2 GLY A 56 -7.756 -6.664 2.144 1.00 13.31 H new ATOM 0 HA3 GLY A 56 -9.061 -6.130 1.103 1.00 13.31 H new ATOM 808 N ASP A 57 -6.962 -4.671 -0.405 1.00 34.11 N ATOM 809 CA ASP A 57 -6.040 -4.575 -1.555 1.00 11.33 C ATOM 810 C ASP A 57 -4.653 -4.750 -1.056 1.00 44.03 C ATOM 811 O ASP A 57 -4.371 -4.591 0.145 1.00 73.50 O ATOM 812 CB ASP A 57 -6.088 -3.237 -2.362 1.00 43.34 C ATOM 813 CG ASP A 57 -7.240 -3.270 -3.358 1.00 62.41 C ATOM 814 OD1 ASP A 57 -7.916 -4.336 -3.483 1.00 33.23 O ATOM 815 OD2 ASP A 57 -7.474 -2.231 -4.021 1.00 43.44 O ATOM 0 H ASP A 57 -7.456 -3.808 -0.177 1.00 34.11 H new ATOM 0 HA ASP A 57 -6.363 -5.353 -2.247 1.00 11.33 H new ATOM 0 HB2 ASP A 57 -6.210 -2.396 -1.680 1.00 43.34 H new ATOM 0 HB3 ASP A 57 -5.146 -3.086 -2.888 1.00 43.34 H new ATOM 820 N ARG A 58 -3.762 -5.143 -1.967 1.00 13.12 N ATOM 821 CA ARG A 58 -2.439 -5.537 -1.595 1.00 70.40 C ATOM 822 C ARG A 58 -1.498 -4.519 -2.141 1.00 41.34 C ATOM 823 O ARG A 58 -1.646 -4.083 -3.260 1.00 72.12 O ATOM 824 CB ARG A 58 -2.061 -6.903 -2.193 1.00 51.32 C ATOM 825 CG ARG A 58 -3.034 -8.015 -1.775 1.00 64.11 C ATOM 826 CD ARG A 58 -2.700 -9.388 -2.368 1.00 60.32 C ATOM 827 NE ARG A 58 -3.126 -9.447 -3.802 1.00 14.12 N ATOM 828 CZ ARG A 58 -4.270 -10.153 -4.218 1.00 54.04 C ATOM 829 NH1 ARG A 58 -5.176 -10.634 -3.309 1.00 72.41 N ATOM 830 NH2 ARG A 58 -4.478 -10.379 -5.539 1.00 13.44 N ATOM 0 H ARG A 58 -3.952 -5.191 -2.968 1.00 13.12 H new ATOM 0 HA ARG A 58 -2.388 -5.613 -0.509 1.00 70.40 H new ATOM 0 HB2 ARG A 58 -2.044 -6.828 -3.280 1.00 51.32 H new ATOM 0 HB3 ARG A 58 -1.052 -7.169 -1.876 1.00 51.32 H new ATOM 0 HG2 ARG A 58 -3.038 -8.091 -0.688 1.00 64.11 H new ATOM 0 HG3 ARG A 58 -4.043 -7.735 -2.079 1.00 64.11 H new ATOM 0 HD2 ARG A 58 -1.629 -9.575 -2.291 1.00 60.32 H new ATOM 0 HD3 ARG A 58 -3.202 -10.170 -1.799 1.00 60.32 H new ATOM 0 HE ARG A 58 -2.568 -8.958 -4.502 1.00 14.12 H new ATOM 0 HH11 ARG A 58 -5.027 -10.483 -2.311 1.00 72.41 H new ATOM 0 HH12 ARG A 58 -5.999 -11.143 -3.630 1.00 72.41 H new ATOM 0 HH21 ARG A 58 -3.806 -10.038 -6.227 1.00 13.44 H new ATOM 0 HH22 ARG A 58 -5.306 -10.890 -5.845 1.00 13.44 H new ATOM 844 N VAL A 59 -0.501 -4.127 -1.340 1.00 3.33 N ATOM 845 CA VAL A 59 0.515 -3.224 -1.794 1.00 42.01 C ATOM 846 C VAL A 59 1.627 -4.103 -2.286 1.00 2.34 C ATOM 847 O VAL A 59 2.048 -5.038 -1.593 1.00 62.32 O ATOM 848 CB VAL A 59 1.051 -2.304 -0.695 1.00 74.01 C ATOM 849 CG1 VAL A 59 2.029 -1.285 -1.334 1.00 25.13 C ATOM 850 CG2 VAL A 59 -0.161 -1.623 -0.009 1.00 1.31 C ATOM 0 H VAL A 59 -0.392 -4.433 -0.373 1.00 3.33 H new ATOM 0 HA VAL A 59 0.103 -2.562 -2.556 1.00 42.01 H new ATOM 0 HB VAL A 59 1.606 -2.852 0.066 1.00 74.01 H new ATOM 0 HG11 VAL A 59 2.419 -0.622 -0.562 1.00 25.13 H new ATOM 0 HG12 VAL A 59 2.854 -1.819 -1.805 1.00 25.13 H new ATOM 0 HG13 VAL A 59 1.502 -0.697 -2.085 1.00 25.13 H new ATOM 0 HG21 VAL A 59 0.193 -0.960 0.780 1.00 1.31 H new ATOM 0 HG22 VAL A 59 -0.718 -1.045 -0.746 1.00 1.31 H new ATOM 0 HG23 VAL A 59 -0.811 -2.385 0.421 1.00 1.31 H new ATOM 860 N LEU A 60 2.088 -3.852 -3.517 1.00 63.23 N ATOM 861 CA LEU A 60 3.100 -4.697 -4.113 1.00 41.10 C ATOM 862 C LEU A 60 4.398 -4.018 -3.946 1.00 2.14 C ATOM 863 O LEU A 60 5.316 -4.564 -3.363 1.00 61.30 O ATOM 864 CB LEU A 60 2.911 -4.858 -5.620 1.00 24.34 C ATOM 865 CG LEU A 60 1.619 -5.551 -6.012 1.00 71.21 C ATOM 866 CD1 LEU A 60 1.237 -5.178 -7.414 1.00 20.30 C ATOM 867 CD2 LEU A 60 1.651 -7.080 -5.806 1.00 73.42 C ATOM 0 H LEU A 60 1.775 -3.079 -4.104 1.00 63.23 H new ATOM 0 HA LEU A 60 3.041 -5.674 -3.633 1.00 41.10 H new ATOM 0 HB2 LEU A 60 2.938 -3.873 -6.086 1.00 24.34 H new ATOM 0 HB3 LEU A 60 3.751 -5.424 -6.022 1.00 24.34 H new ATOM 0 HG LEU A 60 0.846 -5.193 -5.332 1.00 71.21 H new ATOM 0 HD11 LEU A 60 0.309 -5.681 -7.684 1.00 20.30 H new ATOM 0 HD12 LEU A 60 1.097 -4.099 -7.478 1.00 20.30 H new ATOM 0 HD13 LEU A 60 2.028 -5.483 -8.100 1.00 20.30 H new ATOM 0 HD21 LEU A 60 0.695 -7.508 -6.107 1.00 73.42 H new ATOM 0 HD22 LEU A 60 2.448 -7.512 -6.411 1.00 73.42 H new ATOM 0 HD23 LEU A 60 1.833 -7.302 -4.754 1.00 73.42 H new ATOM 879 N ALA A 61 4.519 -2.796 -4.492 1.00 25.21 N ATOM 880 CA ALA A 61 5.765 -2.103 -4.447 1.00 4.22 C ATOM 881 C ALA A 61 5.463 -0.732 -4.008 1.00 64.54 C ATOM 882 O ALA A 61 4.411 -0.194 -4.346 1.00 11.41 O ATOM 883 CB ALA A 61 6.452 -1.999 -5.832 1.00 13.22 C ATOM 0 H ALA A 61 3.764 -2.294 -4.959 1.00 25.21 H new ATOM 0 HA ALA A 61 6.438 -2.646 -3.783 1.00 4.22 H new ATOM 0 HB1 ALA A 61 7.395 -1.461 -5.731 1.00 13.22 H new ATOM 0 HB2 ALA A 61 6.645 -3.000 -6.219 1.00 13.22 H new ATOM 0 HB3 ALA A 61 5.801 -1.463 -6.522 1.00 13.22 H new ATOM 889 N VAL A 62 6.390 -0.129 -3.256 1.00 74.12 N ATOM 890 CA VAL A 62 6.236 1.227 -2.827 1.00 60.24 C ATOM 891 C VAL A 62 7.410 1.931 -3.412 1.00 61.35 C ATOM 892 O VAL A 62 8.539 1.513 -3.218 1.00 61.54 O ATOM 893 CB VAL A 62 6.281 1.402 -1.314 1.00 63.14 C ATOM 894 CG1 VAL A 62 6.114 2.905 -0.969 1.00 63.24 C ATOM 895 CG2 VAL A 62 5.183 0.522 -0.689 1.00 10.01 C ATOM 0 H VAL A 62 7.251 -0.577 -2.941 1.00 74.12 H new ATOM 0 HA VAL A 62 5.264 1.605 -3.142 1.00 60.24 H new ATOM 0 HB VAL A 62 7.239 1.084 -0.903 1.00 63.14 H new ATOM 0 HG11 VAL A 62 6.145 3.036 0.113 1.00 63.24 H new ATOM 0 HG12 VAL A 62 6.922 3.475 -1.427 1.00 63.24 H new ATOM 0 HG13 VAL A 62 5.157 3.262 -1.350 1.00 63.24 H new ATOM 0 HG21 VAL A 62 5.200 0.634 0.395 1.00 10.01 H new ATOM 0 HG22 VAL A 62 4.209 0.829 -1.071 1.00 10.01 H new ATOM 0 HG23 VAL A 62 5.361 -0.522 -0.948 1.00 10.01 H new ATOM 905 N ASN A 63 7.143 3.011 -4.171 1.00 20.20 N ATOM 906 CA ASN A 63 8.199 3.830 -4.791 1.00 71.55 C ATOM 907 C ASN A 63 9.069 2.939 -5.693 1.00 61.01 C ATOM 908 O ASN A 63 10.241 3.199 -5.928 1.00 14.12 O ATOM 909 CB ASN A 63 9.093 4.570 -3.737 1.00 73.02 C ATOM 910 CG ASN A 63 10.023 5.558 -4.441 1.00 34.12 C ATOM 911 OD1 ASN A 63 9.575 6.402 -5.231 1.00 33.33 O ATOM 912 ND2 ASN A 63 11.335 5.468 -4.154 1.00 14.41 N ATOM 0 H ASN A 63 6.197 3.337 -4.370 1.00 20.20 H new ATOM 0 HA ASN A 63 7.710 4.604 -5.382 1.00 71.55 H new ATOM 0 HB2 ASN A 63 8.463 5.098 -3.021 1.00 73.02 H new ATOM 0 HB3 ASN A 63 9.679 3.845 -3.172 1.00 73.02 H new ATOM 0 HD21 ASN A 63 11.998 6.108 -4.592 1.00 14.41 H new ATOM 0 HD22 ASN A 63 11.666 4.760 -3.499 1.00 14.41 H new ATOM 919 N GLY A 64 8.460 1.880 -6.257 1.00 64.24 N ATOM 920 CA GLY A 64 9.120 1.060 -7.244 1.00 33.32 C ATOM 921 C GLY A 64 9.836 -0.043 -6.563 1.00 63.23 C ATOM 922 O GLY A 64 10.296 -0.974 -7.212 1.00 72.51 O ATOM 0 H GLY A 64 7.509 1.586 -6.034 1.00 64.24 H new ATOM 0 HA2 GLY A 64 8.390 0.657 -7.946 1.00 33.32 H new ATOM 0 HA3 GLY A 64 9.821 1.661 -7.823 1.00 33.32 H new ATOM 926 N VAL A 65 9.975 0.028 -5.236 1.00 23.55 N ATOM 927 CA VAL A 65 10.703 -0.930 -4.527 1.00 42.15 C ATOM 928 C VAL A 65 9.755 -2.071 -4.248 1.00 35.25 C ATOM 929 O VAL A 65 8.742 -1.876 -3.577 1.00 63.35 O ATOM 930 CB VAL A 65 11.173 -0.349 -3.204 1.00 5.01 C ATOM 931 CG1 VAL A 65 11.906 -1.408 -2.436 1.00 74.11 C ATOM 932 CG2 VAL A 65 12.031 0.910 -3.490 1.00 21.11 C ATOM 0 H VAL A 65 9.572 0.766 -4.658 1.00 23.55 H new ATOM 0 HA VAL A 65 11.575 -1.254 -5.096 1.00 42.15 H new ATOM 0 HB VAL A 65 10.335 -0.033 -2.583 1.00 5.01 H new ATOM 0 HG11 VAL A 65 12.246 -0.998 -1.485 1.00 74.11 H new ATOM 0 HG12 VAL A 65 11.239 -2.250 -2.250 1.00 74.11 H new ATOM 0 HG13 VAL A 65 12.766 -1.747 -3.014 1.00 74.11 H new ATOM 0 HG21 VAL A 65 12.375 1.337 -2.548 1.00 21.11 H new ATOM 0 HG22 VAL A 65 12.892 0.633 -4.099 1.00 21.11 H new ATOM 0 HG23 VAL A 65 11.430 1.646 -4.024 1.00 21.11 H new ATOM 942 N SER A 66 10.073 -3.292 -4.776 1.00 5.31 N ATOM 943 CA SER A 66 9.262 -4.478 -4.506 1.00 13.21 C ATOM 944 C SER A 66 9.186 -4.674 -3.012 1.00 25.31 C ATOM 945 O SER A 66 10.205 -4.799 -2.327 1.00 11.02 O ATOM 946 CB SER A 66 9.791 -5.773 -5.152 1.00 55.44 C ATOM 947 OG SER A 66 9.672 -5.687 -6.573 1.00 13.51 O ATOM 0 H SER A 66 10.877 -3.460 -5.380 1.00 5.31 H new ATOM 0 HA SER A 66 8.284 -4.294 -4.952 1.00 13.21 H new ATOM 0 HB2 SER A 66 10.833 -5.930 -4.874 1.00 55.44 H new ATOM 0 HB3 SER A 66 9.230 -6.631 -4.782 1.00 55.44 H new ATOM 0 HG SER A 66 10.011 -6.511 -6.980 1.00 13.51 H new ATOM 953 N LEU A 67 7.960 -4.609 -2.493 1.00 40.21 N ATOM 954 CA LEU A 67 7.720 -4.550 -1.081 1.00 44.24 C ATOM 955 C LEU A 67 7.241 -5.915 -0.682 1.00 31.15 C ATOM 956 O LEU A 67 7.171 -6.251 0.470 1.00 23.33 O ATOM 957 CB LEU A 67 6.613 -3.494 -0.790 1.00 54.41 C ATOM 958 CG LEU A 67 6.589 -2.878 0.612 1.00 33.22 C ATOM 959 CD1 LEU A 67 5.824 -3.718 1.625 1.00 5.41 C ATOM 960 CD2 LEU A 67 7.972 -2.398 1.098 1.00 21.23 C ATOM 0 H LEU A 67 7.111 -4.597 -3.058 1.00 40.21 H new ATOM 0 HA LEU A 67 8.616 -4.267 -0.528 1.00 44.24 H new ATOM 0 HB2 LEU A 67 6.718 -2.685 -1.513 1.00 54.41 H new ATOM 0 HB3 LEU A 67 5.645 -3.960 -0.972 1.00 54.41 H new ATOM 0 HG LEU A 67 6.005 -1.962 0.519 1.00 33.22 H new ATOM 0 HD11 LEU A 67 5.846 -3.225 2.597 1.00 5.41 H new ATOM 0 HD12 LEU A 67 4.790 -3.830 1.298 1.00 5.41 H new ATOM 0 HD13 LEU A 67 6.287 -4.701 1.706 1.00 5.41 H new ATOM 0 HD21 LEU A 67 7.879 -1.973 2.098 1.00 21.23 H new ATOM 0 HD22 LEU A 67 8.661 -3.242 1.125 1.00 21.23 H new ATOM 0 HD23 LEU A 67 8.354 -1.639 0.415 1.00 21.23 H new ATOM 972 N GLU A 68 6.936 -6.751 -1.676 1.00 52.23 N ATOM 973 CA GLU A 68 6.538 -8.127 -1.438 1.00 62.41 C ATOM 974 C GLU A 68 7.650 -8.830 -0.667 1.00 21.42 C ATOM 975 O GLU A 68 8.819 -8.803 -1.079 1.00 2.34 O ATOM 976 CB GLU A 68 6.339 -8.891 -2.756 1.00 21.22 C ATOM 977 CG GLU A 68 5.288 -8.260 -3.682 1.00 54.50 C ATOM 978 CD GLU A 68 5.409 -8.944 -5.017 1.00 73.51 C ATOM 979 OE1 GLU A 68 5.122 -10.151 -5.104 1.00 42.32 O ATOM 980 OE2 GLU A 68 5.836 -8.280 -5.989 1.00 35.23 O ATOM 0 H GLU A 68 6.960 -6.489 -2.661 1.00 52.23 H new ATOM 0 HA GLU A 68 5.600 -8.116 -0.884 1.00 62.41 H new ATOM 0 HB2 GLU A 68 7.291 -8.942 -3.284 1.00 21.22 H new ATOM 0 HB3 GLU A 68 6.044 -9.916 -2.531 1.00 21.22 H new ATOM 0 HG2 GLU A 68 4.286 -8.389 -3.272 1.00 54.50 H new ATOM 0 HG3 GLU A 68 5.456 -7.188 -3.782 1.00 54.50 H new ATOM 987 N GLY A 69 7.301 -9.455 0.478 1.00 45.31 N ATOM 988 CA GLY A 69 8.277 -10.176 1.280 1.00 42.11 C ATOM 989 C GLY A 69 8.841 -9.248 2.310 1.00 43.51 C ATOM 990 O GLY A 69 9.510 -9.692 3.254 1.00 63.15 O ATOM 0 H GLY A 69 6.353 -9.467 0.855 1.00 45.31 H new ATOM 0 HA2 GLY A 69 7.808 -11.034 1.762 1.00 42.11 H new ATOM 0 HA3 GLY A 69 9.074 -10.563 0.645 1.00 42.11 H new ATOM 994 N ALA A 70 8.601 -7.929 2.160 1.00 25.35 N ATOM 995 CA ALA A 70 9.091 -6.971 3.124 1.00 33.43 C ATOM 996 C ALA A 70 8.150 -7.023 4.278 1.00 64.51 C ATOM 997 O ALA A 70 7.006 -7.426 4.134 1.00 15.13 O ATOM 998 CB ALA A 70 9.157 -5.527 2.603 1.00 2.50 C ATOM 0 H ALA A 70 8.076 -7.524 1.385 1.00 25.35 H new ATOM 0 HA ALA A 70 10.116 -7.238 3.380 1.00 33.43 H new ATOM 0 HB1 ALA A 70 9.535 -4.873 3.389 1.00 2.50 H new ATOM 0 HB2 ALA A 70 9.823 -5.481 1.741 1.00 2.50 H new ATOM 0 HB3 ALA A 70 8.160 -5.201 2.308 1.00 2.50 H new ATOM 1004 N THR A 71 8.642 -6.690 5.460 1.00 22.40 N ATOM 1005 CA THR A 71 7.891 -6.912 6.653 1.00 25.11 C ATOM 1006 C THR A 71 6.893 -5.769 6.831 1.00 24.40 C ATOM 1007 O THR A 71 6.829 -4.853 6.016 1.00 43.12 O ATOM 1008 CB THR A 71 8.790 -7.033 7.875 1.00 14.10 C ATOM 1009 OG1 THR A 71 9.475 -5.797 8.134 1.00 55.20 O ATOM 1010 CG2 THR A 71 9.837 -8.123 7.583 1.00 64.05 C ATOM 0 H THR A 71 9.559 -6.266 5.604 1.00 22.40 H new ATOM 0 HA THR A 71 7.359 -7.858 6.557 1.00 25.11 H new ATOM 0 HB THR A 71 8.183 -7.281 8.746 1.00 14.10 H new ATOM 0 HG1 THR A 71 10.045 -5.898 8.925 1.00 55.20 H new ATOM 0 HG21 THR A 71 10.498 -8.233 8.443 1.00 64.05 H new ATOM 0 HG22 THR A 71 9.332 -9.070 7.390 1.00 64.05 H new ATOM 0 HG23 THR A 71 10.423 -7.839 6.709 1.00 64.05 H new ATOM 1018 N HIS A 72 6.074 -5.829 7.923 1.00 23.35 N ATOM 1019 CA HIS A 72 5.120 -4.777 8.182 1.00 70.45 C ATOM 1020 C HIS A 72 5.881 -3.528 8.529 1.00 11.15 C ATOM 1021 O HIS A 72 5.598 -2.485 7.996 1.00 74.35 O ATOM 1022 CB HIS A 72 4.036 -5.065 9.262 1.00 5.00 C ATOM 1023 CG HIS A 72 4.536 -5.392 10.651 1.00 4.31 C ATOM 1024 ND1 HIS A 72 4.418 -6.643 11.188 1.00 51.55 N ATOM 1025 CD2 HIS A 72 5.051 -4.594 11.609 1.00 52.14 C ATOM 1026 CE1 HIS A 72 4.865 -6.607 12.441 1.00 74.30 C ATOM 1027 NE2 HIS A 72 5.254 -5.367 12.715 1.00 13.52 N ATOM 0 H HIS A 72 6.075 -6.587 8.606 1.00 23.35 H new ATOM 0 HA HIS A 72 4.540 -4.675 7.265 1.00 70.45 H new ATOM 0 HB2 HIS A 72 3.384 -4.195 9.331 1.00 5.00 H new ATOM 0 HB3 HIS A 72 3.422 -5.897 8.916 1.00 5.00 H new ATOM 0 HD2 HIS A 72 5.263 -3.539 11.518 1.00 52.14 H new ATOM 0 HE1 HIS A 72 4.905 -7.445 13.121 1.00 74.30 H new ATOM 0 HE2 HIS A 72 5.640 -5.046 13.603 1.00 13.52 H new ATOM 1036 N LYS A 73 6.907 -3.622 9.420 1.00 53.22 N ATOM 1037 CA LYS A 73 7.758 -2.468 9.744 1.00 32.11 C ATOM 1038 C LYS A 73 8.298 -1.846 8.471 1.00 50.24 C ATOM 1039 O LYS A 73 8.064 -0.671 8.218 1.00 24.04 O ATOM 1040 CB LYS A 73 8.950 -2.871 10.649 1.00 4.45 C ATOM 1041 CG LYS A 73 9.876 -1.707 11.053 1.00 31.12 C ATOM 1042 CD LYS A 73 10.851 -2.079 12.186 1.00 1.21 C ATOM 1043 CE LYS A 73 11.816 -3.232 11.847 1.00 32.13 C ATOM 1044 NZ LYS A 73 12.854 -2.806 10.890 1.00 52.02 N ATOM 0 H LYS A 73 7.154 -4.479 9.915 1.00 53.22 H new ATOM 0 HA LYS A 73 7.140 -1.750 10.283 1.00 32.11 H new ATOM 0 HB2 LYS A 73 8.560 -3.337 11.554 1.00 4.45 H new ATOM 0 HB3 LYS A 73 9.542 -3.625 10.131 1.00 4.45 H new ATOM 0 HG2 LYS A 73 10.446 -1.384 10.182 1.00 31.12 H new ATOM 0 HG3 LYS A 73 9.268 -0.859 11.368 1.00 31.12 H new ATOM 0 HD2 LYS A 73 11.436 -1.198 12.448 1.00 1.21 H new ATOM 0 HD3 LYS A 73 10.274 -2.353 13.069 1.00 1.21 H new ATOM 0 HE2 LYS A 73 12.288 -3.593 12.761 1.00 32.13 H new ATOM 0 HE3 LYS A 73 11.254 -4.067 11.428 1.00 32.13 H new ATOM 0 HZ1 LYS A 73 13.486 -3.606 10.684 1.00 52.02 H new ATOM 0 HZ2 LYS A 73 12.404 -2.485 10.009 1.00 52.02 H new ATOM 0 HZ3 LYS A 73 13.406 -2.026 11.301 1.00 52.02 H new ATOM 1058 N GLN A 74 9.004 -2.657 7.623 1.00 61.51 N ATOM 1059 CA GLN A 74 9.571 -2.145 6.359 1.00 44.03 C ATOM 1060 C GLN A 74 8.486 -1.480 5.536 1.00 73.05 C ATOM 1061 O GLN A 74 8.701 -0.421 4.960 1.00 73.44 O ATOM 1062 CB GLN A 74 10.201 -3.232 5.474 1.00 55.22 C ATOM 1063 CG GLN A 74 11.409 -3.918 6.107 1.00 32.12 C ATOM 1064 CD GLN A 74 11.988 -4.875 5.081 1.00 61.43 C ATOM 1065 OE1 GLN A 74 11.620 -6.039 5.035 1.00 40.11 O ATOM 1066 NE2 GLN A 74 12.903 -4.382 4.229 1.00 43.24 N ATOM 0 H GLN A 74 9.185 -3.646 7.797 1.00 61.51 H new ATOM 0 HA GLN A 74 10.353 -1.447 6.657 1.00 44.03 H new ATOM 0 HB2 GLN A 74 9.446 -3.984 5.246 1.00 55.22 H new ATOM 0 HB3 GLN A 74 10.503 -2.786 4.526 1.00 55.22 H new ATOM 0 HG2 GLN A 74 12.154 -3.181 6.405 1.00 32.12 H new ATOM 0 HG3 GLN A 74 11.114 -4.456 7.008 1.00 32.12 H new ATOM 0 HE21 GLN A 74 13.188 -3.405 4.296 1.00 43.24 H new ATOM 0 HE22 GLN A 74 13.313 -4.985 3.516 1.00 43.24 H new ATOM 1075 N ALA A 75 7.307 -2.114 5.482 1.00 55.51 N ATOM 1076 CA ALA A 75 6.166 -1.618 4.706 1.00 33.02 C ATOM 1077 C ALA A 75 5.879 -0.193 5.053 1.00 60.44 C ATOM 1078 O ALA A 75 5.822 0.665 4.174 1.00 73.23 O ATOM 1079 CB ALA A 75 4.869 -2.407 4.946 1.00 13.12 C ATOM 0 H ALA A 75 7.119 -2.986 5.976 1.00 55.51 H new ATOM 0 HA ALA A 75 6.459 -1.734 3.663 1.00 33.02 H new ATOM 0 HB1 ALA A 75 4.068 -1.984 4.339 1.00 13.12 H new ATOM 0 HB2 ALA A 75 5.021 -3.450 4.670 1.00 13.12 H new ATOM 0 HB3 ALA A 75 4.596 -2.347 6.000 1.00 13.12 H new ATOM 1085 N VAL A 76 5.695 0.094 6.353 1.00 73.43 N ATOM 1086 CA VAL A 76 5.304 1.397 6.777 1.00 70.33 C ATOM 1087 C VAL A 76 6.509 2.309 6.633 1.00 22.21 C ATOM 1088 O VAL A 76 6.366 3.432 6.221 1.00 72.54 O ATOM 1089 CB VAL A 76 4.796 1.445 8.219 1.00 41.22 C ATOM 1090 CG1 VAL A 76 4.121 2.808 8.461 1.00 12.51 C ATOM 1091 CG2 VAL A 76 3.803 0.296 8.431 1.00 35.23 C ATOM 0 H VAL A 76 5.818 -0.579 7.110 1.00 73.43 H new ATOM 0 HA VAL A 76 4.469 1.717 6.153 1.00 70.33 H new ATOM 0 HB VAL A 76 5.618 1.331 8.925 1.00 41.22 H new ATOM 0 HG11 VAL A 76 3.754 2.855 9.486 1.00 12.51 H new ATOM 0 HG12 VAL A 76 4.845 3.607 8.297 1.00 12.51 H new ATOM 0 HG13 VAL A 76 3.286 2.928 7.771 1.00 12.51 H new ATOM 0 HG21 VAL A 76 3.433 0.319 9.456 1.00 35.23 H new ATOM 0 HG22 VAL A 76 2.966 0.406 7.741 1.00 35.23 H new ATOM 0 HG23 VAL A 76 4.302 -0.655 8.247 1.00 35.23 H new ATOM 1101 N CYS A 77 7.748 1.820 6.993 1.00 24.24 N ATOM 1102 CA CYS A 77 8.937 2.763 6.965 1.00 33.02 C ATOM 1103 C CYS A 77 9.059 3.287 5.514 1.00 42.25 C ATOM 1104 O CYS A 77 9.582 4.324 5.243 1.00 43.33 O ATOM 1105 CB CYS A 77 10.273 2.048 7.283 1.00 4.34 C ATOM 1106 SG CYS A 77 10.346 1.358 8.963 1.00 72.43 S ATOM 0 H CYS A 77 7.946 0.862 7.283 1.00 24.24 H new ATOM 0 HA CYS A 77 8.772 3.541 7.711 1.00 33.02 H new ATOM 0 HB2 CYS A 77 10.426 1.245 6.562 1.00 4.34 H new ATOM 0 HB3 CYS A 77 11.093 2.754 7.153 1.00 4.34 H new ATOM 1111 N THR A 78 8.778 2.387 4.541 1.00 73.30 N ATOM 1112 CA THR A 78 8.968 2.714 3.137 1.00 70.52 C ATOM 1113 C THR A 78 7.863 3.649 2.734 1.00 70.33 C ATOM 1114 O THR A 78 8.097 4.669 2.130 1.00 73.44 O ATOM 1115 CB THR A 78 8.932 1.478 2.236 1.00 21.30 C ATOM 1116 OG1 THR A 78 9.812 0.480 2.755 1.00 62.22 O ATOM 1117 CG2 THR A 78 9.401 1.874 0.812 1.00 22.43 C ATOM 0 H THR A 78 8.425 1.446 4.715 1.00 73.30 H new ATOM 0 HA THR A 78 9.952 3.168 3.017 1.00 70.52 H new ATOM 0 HB THR A 78 7.916 1.085 2.199 1.00 21.30 H new ATOM 0 HG1 THR A 78 9.307 -0.137 3.324 1.00 62.22 H new ATOM 0 HG21 THR A 78 9.378 0.998 0.164 1.00 22.43 H new ATOM 0 HG22 THR A 78 8.737 2.640 0.410 1.00 22.43 H new ATOM 0 HG23 THR A 78 10.418 2.264 0.859 1.00 22.43 H new ATOM 1125 N LEU A 79 6.624 3.279 3.094 1.00 74.43 N ATOM 1126 CA LEU A 79 5.439 3.997 2.738 1.00 62.01 C ATOM 1127 C LEU A 79 5.464 5.386 3.367 1.00 22.14 C ATOM 1128 O LEU A 79 5.068 6.366 2.741 1.00 42.24 O ATOM 1129 CB LEU A 79 4.231 3.175 3.235 1.00 53.41 C ATOM 1130 CG LEU A 79 2.844 3.737 3.000 1.00 24.24 C ATOM 1131 CD1 LEU A 79 2.369 4.634 4.147 1.00 53.44 C ATOM 1132 CD2 LEU A 79 2.625 4.333 1.587 1.00 73.20 C ATOM 0 H LEU A 79 6.438 2.448 3.655 1.00 74.43 H new ATOM 0 HA LEU A 79 5.371 4.133 1.659 1.00 62.01 H new ATOM 0 HB2 LEU A 79 4.278 2.193 2.763 1.00 53.41 H new ATOM 0 HB3 LEU A 79 4.351 3.019 4.307 1.00 53.41 H new ATOM 0 HG LEU A 79 2.177 2.875 3.012 1.00 24.24 H new ATOM 0 HD11 LEU A 79 1.370 5.009 3.926 1.00 53.44 H new ATOM 0 HD12 LEU A 79 2.344 4.059 5.072 1.00 53.44 H new ATOM 0 HD13 LEU A 79 3.055 5.474 4.260 1.00 53.44 H new ATOM 0 HD21 LEU A 79 1.606 4.712 1.506 1.00 73.20 H new ATOM 0 HD22 LEU A 79 3.330 5.148 1.423 1.00 73.20 H new ATOM 0 HD23 LEU A 79 2.785 3.559 0.837 1.00 73.20 H new ATOM 1144 N ARG A 80 5.959 5.500 4.605 1.00 72.12 N ATOM 1145 CA ARG A 80 6.030 6.784 5.275 1.00 70.04 C ATOM 1146 C ARG A 80 7.088 7.611 4.587 1.00 24.20 C ATOM 1147 O ARG A 80 6.813 8.726 4.141 1.00 11.33 O ATOM 1148 CB ARG A 80 6.384 6.673 6.777 1.00 2.44 C ATOM 1149 CG ARG A 80 6.239 8.000 7.532 1.00 25.02 C ATOM 1150 CD ARG A 80 6.486 7.866 9.037 1.00 64.34 C ATOM 1151 NE ARG A 80 6.123 9.169 9.688 1.00 52.34 N ATOM 1152 CZ ARG A 80 5.911 9.255 11.043 1.00 72.53 C ATOM 1153 NH1 ARG A 80 6.105 8.159 11.840 1.00 24.11 N ATOM 1154 NH2 ARG A 80 5.507 10.431 11.590 1.00 71.24 N ATOM 0 H ARG A 80 6.313 4.716 5.153 1.00 72.12 H new ATOM 0 HA ARG A 80 5.043 7.242 5.216 1.00 70.04 H new ATOM 0 HB2 ARG A 80 5.740 5.926 7.241 1.00 2.44 H new ATOM 0 HB3 ARG A 80 7.409 6.316 6.877 1.00 2.44 H new ATOM 0 HG2 ARG A 80 6.940 8.725 7.118 1.00 25.02 H new ATOM 0 HG3 ARG A 80 5.237 8.396 7.368 1.00 25.02 H new ATOM 0 HD2 ARG A 80 5.887 7.054 9.450 1.00 64.34 H new ATOM 0 HD3 ARG A 80 7.530 7.622 9.231 1.00 64.34 H new ATOM 0 HE ARG A 80 6.032 10.007 9.113 1.00 52.34 H new ATOM 0 HH11 ARG A 80 6.408 7.276 11.428 1.00 24.11 H new ATOM 0 HH12 ARG A 80 5.947 8.225 12.846 1.00 24.11 H new ATOM 0 HH21 ARG A 80 5.362 11.247 10.995 1.00 71.24 H new ATOM 0 HH22 ARG A 80 5.349 10.498 12.595 1.00 71.24 H new ATOM 1168 N ASN A 81 8.338 7.064 4.494 1.00 54.31 N ATOM 1169 CA ASN A 81 9.472 7.757 3.816 1.00 3.03 C ATOM 1170 C ASN A 81 9.256 7.786 2.295 1.00 43.25 C ATOM 1171 O ASN A 81 10.111 7.374 1.508 1.00 42.11 O ATOM 1172 CB ASN A 81 10.859 7.114 4.112 1.00 44.41 C ATOM 1173 CG ASN A 81 11.980 7.997 3.538 1.00 14.14 C ATOM 1174 OD1 ASN A 81 11.856 9.233 3.481 1.00 4.05 O ATOM 1175 ND2 ASN A 81 13.093 7.365 3.105 1.00 15.24 N ATOM 0 H ASN A 81 8.582 6.151 4.878 1.00 54.31 H new ATOM 0 HA ASN A 81 9.484 8.768 4.223 1.00 3.03 H new ATOM 0 HB2 ASN A 81 10.992 6.996 5.187 1.00 44.41 H new ATOM 0 HB3 ASN A 81 10.909 6.118 3.673 1.00 44.41 H new ATOM 0 HD21 ASN A 81 13.867 7.904 2.716 1.00 15.24 H new ATOM 0 HD22 ASN A 81 13.160 6.349 3.167 1.00 15.24 H new ATOM 1182 N THR A 82 8.123 8.315 1.883 1.00 74.11 N ATOM 1183 CA THR A 82 7.846 8.585 0.518 1.00 32.42 C ATOM 1184 C THR A 82 7.978 10.083 0.348 1.00 21.52 C ATOM 1185 O THR A 82 8.414 10.793 1.279 1.00 42.25 O ATOM 1186 CB THR A 82 6.473 8.114 0.104 1.00 20.52 C ATOM 1187 OG1 THR A 82 5.494 8.465 1.092 1.00 62.34 O ATOM 1188 CG2 THR A 82 6.539 6.586 -0.039 1.00 33.44 C ATOM 0 H THR A 82 7.363 8.569 2.514 1.00 74.11 H new ATOM 0 HA THR A 82 8.543 8.043 -0.122 1.00 32.42 H new ATOM 0 HB THR A 82 6.182 8.586 -0.834 1.00 20.52 H new ATOM 0 HG1 THR A 82 5.376 7.718 1.716 1.00 62.34 H new ATOM 0 HG21 THR A 82 5.562 6.206 -0.338 1.00 33.44 H new ATOM 0 HG22 THR A 82 7.278 6.323 -0.796 1.00 33.44 H new ATOM 0 HG23 THR A 82 6.824 6.143 0.915 1.00 33.44 H new ATOM 1196 N GLY A 83 7.668 10.589 -0.856 1.00 24.34 N ATOM 1197 CA GLY A 83 7.791 11.994 -1.136 1.00 20.12 C ATOM 1198 C GLY A 83 6.483 12.621 -0.818 1.00 43.51 C ATOM 1199 O GLY A 83 5.720 12.107 -0.008 1.00 50.00 O ATOM 0 H GLY A 83 7.331 10.030 -1.640 1.00 24.34 H new ATOM 0 HA2 GLY A 83 8.586 12.438 -0.537 1.00 20.12 H new ATOM 0 HA3 GLY A 83 8.052 12.157 -2.182 1.00 20.12 H new ATOM 1203 N GLN A 84 6.193 13.780 -1.450 1.00 45.45 N ATOM 1204 CA GLN A 84 4.949 14.484 -1.189 1.00 74.35 C ATOM 1205 C GLN A 84 3.802 13.590 -1.628 1.00 31.32 C ATOM 1206 O GLN A 84 2.929 13.231 -0.826 1.00 22.11 O ATOM 1207 CB GLN A 84 4.859 15.819 -1.968 1.00 3.42 C ATOM 1208 CG GLN A 84 3.593 16.626 -1.657 1.00 21.10 C ATOM 1209 CD GLN A 84 3.627 17.908 -2.479 1.00 71.44 C ATOM 1210 OE1 GLN A 84 4.498 18.086 -3.342 1.00 43.33 O ATOM 1211 NE2 GLN A 84 2.677 18.816 -2.228 1.00 64.14 N ATOM 0 H GLN A 84 6.803 14.231 -2.132 1.00 45.45 H new ATOM 0 HA GLN A 84 4.902 14.715 -0.125 1.00 74.35 H new ATOM 0 HB2 GLN A 84 5.734 16.426 -1.734 1.00 3.42 H new ATOM 0 HB3 GLN A 84 4.893 15.609 -3.037 1.00 3.42 H new ATOM 0 HG2 GLN A 84 2.703 16.044 -1.898 1.00 21.10 H new ATOM 0 HG3 GLN A 84 3.543 16.859 -0.593 1.00 21.10 H new ATOM 0 HE21 GLN A 84 1.976 18.635 -1.510 1.00 64.14 H new ATOM 0 HE22 GLN A 84 2.654 19.689 -2.755 1.00 64.14 H new ATOM 1220 N VAL A 85 3.832 13.158 -2.893 1.00 10.33 N ATOM 1221 CA VAL A 85 2.870 12.235 -3.404 1.00 1.34 C ATOM 1222 C VAL A 85 3.521 10.885 -3.324 1.00 11.40 C ATOM 1223 O VAL A 85 4.746 10.760 -3.481 1.00 5.03 O ATOM 1224 CB VAL A 85 2.498 12.572 -4.851 1.00 70.22 C ATOM 1225 CG1 VAL A 85 1.660 11.459 -5.491 1.00 62.22 C ATOM 1226 CG2 VAL A 85 1.744 13.905 -4.810 1.00 23.54 C ATOM 0 H VAL A 85 4.532 13.451 -3.574 1.00 10.33 H new ATOM 0 HA VAL A 85 1.943 12.270 -2.832 1.00 1.34 H new ATOM 0 HB VAL A 85 3.390 12.657 -5.472 1.00 70.22 H new ATOM 0 HG11 VAL A 85 1.415 11.733 -6.517 1.00 62.22 H new ATOM 0 HG12 VAL A 85 2.228 10.529 -5.489 1.00 62.22 H new ATOM 0 HG13 VAL A 85 0.740 11.323 -4.922 1.00 62.22 H new ATOM 0 HG21 VAL A 85 1.455 14.191 -5.821 1.00 23.54 H new ATOM 0 HG22 VAL A 85 0.851 13.799 -4.194 1.00 23.54 H new ATOM 0 HG23 VAL A 85 2.389 14.675 -4.385 1.00 23.54 H new ATOM 1236 N VAL A 86 2.715 9.855 -3.031 1.00 52.00 N ATOM 1237 CA VAL A 86 3.193 8.520 -2.888 1.00 74.11 C ATOM 1238 C VAL A 86 2.817 7.827 -4.141 1.00 73.50 C ATOM 1239 O VAL A 86 1.669 7.920 -4.579 1.00 61.24 O ATOM 1240 CB VAL A 86 2.486 7.780 -1.767 1.00 13.41 C ATOM 1241 CG1 VAL A 86 3.106 6.375 -1.613 1.00 52.31 C ATOM 1242 CG2 VAL A 86 2.561 8.641 -0.492 1.00 4.14 C ATOM 0 H VAL A 86 1.709 9.951 -2.890 1.00 52.00 H new ATOM 0 HA VAL A 86 4.262 8.539 -2.677 1.00 74.11 H new ATOM 0 HB VAL A 86 1.430 7.623 -1.985 1.00 13.41 H new ATOM 0 HG11 VAL A 86 2.601 5.840 -0.809 1.00 52.31 H new ATOM 0 HG12 VAL A 86 2.990 5.822 -2.545 1.00 52.31 H new ATOM 0 HG13 VAL A 86 4.166 6.469 -1.376 1.00 52.31 H new ATOM 0 HG21 VAL A 86 2.058 8.125 0.326 1.00 4.14 H new ATOM 0 HG22 VAL A 86 3.605 8.809 -0.227 1.00 4.14 H new ATOM 0 HG23 VAL A 86 2.074 9.599 -0.671 1.00 4.14 H new ATOM 1252 N HIS A 87 3.759 7.113 -4.752 1.00 2.42 N ATOM 1253 CA HIS A 87 3.440 6.298 -5.882 1.00 55.23 C ATOM 1254 C HIS A 87 3.629 4.894 -5.414 1.00 5.44 C ATOM 1255 O HIS A 87 4.684 4.539 -4.888 1.00 63.34 O ATOM 1256 CB HIS A 87 4.352 6.552 -7.102 1.00 61.14 C ATOM 1257 CG HIS A 87 3.833 5.930 -8.367 1.00 11.11 C ATOM 1258 ND1 HIS A 87 4.159 4.664 -8.768 1.00 41.02 N ATOM 1259 CD2 HIS A 87 2.992 6.434 -9.286 1.00 14.53 C ATOM 1260 CE1 HIS A 87 3.521 4.416 -9.909 1.00 2.43 C ATOM 1261 NE2 HIS A 87 2.808 5.482 -10.230 1.00 2.31 N ATOM 0 H HIS A 87 4.740 7.093 -4.473 1.00 2.42 H new ATOM 0 HA HIS A 87 2.428 6.520 -6.220 1.00 55.23 H new ATOM 0 HB2 HIS A 87 4.459 7.627 -7.250 1.00 61.14 H new ATOM 0 HB3 HIS A 87 5.347 6.158 -6.892 1.00 61.14 H new ATOM 0 HD2 HIS A 87 2.545 7.417 -9.274 1.00 14.53 H new ATOM 0 HE1 HIS A 87 3.576 3.499 -10.477 1.00 2.43 H new ATOM 0 HE2 HIS A 87 2.215 5.572 -11.055 1.00 2.31 H new ATOM 1270 N LEU A 88 2.593 4.085 -5.543 1.00 45.12 N ATOM 1271 CA LEU A 88 2.657 2.750 -5.037 1.00 4.54 C ATOM 1272 C LEU A 88 1.719 1.932 -5.812 1.00 5.13 C ATOM 1273 O LEU A 88 0.625 2.368 -6.159 1.00 73.51 O ATOM 1274 CB LEU A 88 2.355 2.600 -3.509 1.00 20.42 C ATOM 1275 CG LEU A 88 0.888 2.873 -3.043 1.00 73.33 C ATOM 1276 CD1 LEU A 88 0.750 2.737 -1.519 1.00 34.15 C ATOM 1277 CD2 LEU A 88 0.295 4.199 -3.554 1.00 53.34 C ATOM 0 H LEU A 88 1.712 4.337 -5.991 1.00 45.12 H new ATOM 0 HA LEU A 88 3.690 2.420 -5.147 1.00 4.54 H new ATOM 0 HB2 LEU A 88 2.622 1.587 -3.209 1.00 20.42 H new ATOM 0 HB3 LEU A 88 3.014 3.277 -2.966 1.00 20.42 H new ATOM 0 HG LEU A 88 0.286 2.096 -3.514 1.00 73.33 H new ATOM 0 HD11 LEU A 88 -0.282 2.933 -1.228 1.00 34.15 H new ATOM 0 HD12 LEU A 88 1.026 1.727 -1.217 1.00 34.15 H new ATOM 0 HD13 LEU A 88 1.408 3.455 -1.029 1.00 34.15 H new ATOM 0 HD21 LEU A 88 -0.724 4.308 -3.184 1.00 53.34 H new ATOM 0 HD22 LEU A 88 0.902 5.031 -3.196 1.00 53.34 H new ATOM 0 HD23 LEU A 88 0.287 4.198 -4.644 1.00 53.34 H new ATOM 1289 N LEU A 89 2.163 0.742 -6.188 1.00 65.40 N ATOM 1290 CA LEU A 89 1.352 -0.170 -6.930 1.00 64.01 C ATOM 1291 C LEU A 89 0.473 -0.863 -5.978 1.00 4.34 C ATOM 1292 O LEU A 89 0.902 -1.275 -4.887 1.00 32.25 O ATOM 1293 CB LEU A 89 2.183 -1.281 -7.619 1.00 42.13 C ATOM 1294 CG LEU A 89 2.918 -0.857 -8.904 1.00 65.01 C ATOM 1295 CD1 LEU A 89 3.602 0.518 -8.813 1.00 70.23 C ATOM 1296 CD2 LEU A 89 3.866 -1.956 -9.403 1.00 62.13 C ATOM 0 H LEU A 89 3.099 0.395 -5.980 1.00 65.40 H new ATOM 0 HA LEU A 89 0.821 0.407 -7.688 1.00 64.01 H new ATOM 0 HB2 LEU A 89 2.919 -1.655 -6.907 1.00 42.13 H new ATOM 0 HB3 LEU A 89 1.519 -2.112 -7.858 1.00 42.13 H new ATOM 0 HG LEU A 89 2.142 -0.727 -9.658 1.00 65.01 H new ATOM 0 HD11 LEU A 89 4.096 0.742 -9.758 1.00 70.23 H new ATOM 0 HD12 LEU A 89 2.854 1.283 -8.605 1.00 70.23 H new ATOM 0 HD13 LEU A 89 4.341 0.505 -8.011 1.00 70.23 H new ATOM 0 HD21 LEU A 89 4.366 -1.620 -10.311 1.00 62.13 H new ATOM 0 HD22 LEU A 89 4.611 -2.170 -8.636 1.00 62.13 H new ATOM 0 HD23 LEU A 89 3.295 -2.860 -9.616 1.00 62.13 H new ATOM 1308 N LEU A 90 -0.752 -1.049 -6.410 1.00 41.54 N ATOM 1309 CA LEU A 90 -1.691 -1.834 -5.678 1.00 0.33 C ATOM 1310 C LEU A 90 -1.889 -3.048 -6.513 1.00 5.52 C ATOM 1311 O LEU A 90 -1.701 -3.009 -7.738 1.00 5.53 O ATOM 1312 CB LEU A 90 -3.112 -1.215 -5.490 1.00 4.15 C ATOM 1313 CG LEU A 90 -3.185 0.311 -5.235 1.00 41.42 C ATOM 1314 CD1 LEU A 90 -2.391 0.817 -4.023 1.00 24.45 C ATOM 1315 CD2 LEU A 90 -2.909 1.126 -6.489 1.00 45.53 C ATOM 0 H LEU A 90 -1.116 -0.657 -7.279 1.00 41.54 H new ATOM 0 HA LEU A 90 -1.287 -1.971 -4.675 1.00 0.33 H new ATOM 0 HB2 LEU A 90 -3.700 -1.438 -6.381 1.00 4.15 H new ATOM 0 HB3 LEU A 90 -3.595 -1.722 -4.654 1.00 4.15 H new ATOM 0 HG LEU A 90 -4.226 0.478 -4.957 1.00 41.42 H new ATOM 0 HD11 LEU A 90 -2.510 1.897 -3.935 1.00 24.45 H new ATOM 0 HD12 LEU A 90 -2.763 0.336 -3.118 1.00 24.45 H new ATOM 0 HD13 LEU A 90 -1.336 0.578 -4.154 1.00 24.45 H new ATOM 0 HD21 LEU A 90 -2.973 2.188 -6.254 1.00 45.53 H new ATOM 0 HD22 LEU A 90 -1.910 0.896 -6.860 1.00 45.53 H new ATOM 0 HD23 LEU A 90 -3.646 0.879 -7.253 1.00 45.53 H new ATOM 1327 N GLU A 91 -2.318 -4.127 -5.901 1.00 13.30 N ATOM 1328 CA GLU A 91 -2.812 -5.242 -6.614 1.00 33.02 C ATOM 1329 C GLU A 91 -4.182 -5.317 -6.126 1.00 31.33 C ATOM 1330 O GLU A 91 -4.406 -5.255 -4.911 1.00 43.32 O ATOM 1331 CB GLU A 91 -2.109 -6.577 -6.253 1.00 2.12 C ATOM 1332 CG GLU A 91 -2.562 -7.782 -7.094 1.00 23.43 C ATOM 1333 CD GLU A 91 -1.907 -9.039 -6.553 1.00 32.12 C ATOM 1334 OE1 GLU A 91 -1.168 -8.963 -5.550 1.00 71.10 O ATOM 1335 OE2 GLU A 91 -2.202 -10.128 -7.074 1.00 61.34 O ATOM 0 H GLU A 91 -2.327 -4.239 -4.887 1.00 13.30 H new ATOM 0 HA GLU A 91 -2.674 -5.119 -7.688 1.00 33.02 H new ATOM 0 HB2 GLU A 91 -1.033 -6.450 -6.372 1.00 2.12 H new ATOM 0 HB3 GLU A 91 -2.290 -6.796 -5.201 1.00 2.12 H new ATOM 0 HG2 GLU A 91 -3.647 -7.878 -7.059 1.00 23.43 H new ATOM 0 HG3 GLU A 91 -2.289 -7.635 -8.139 1.00 23.43 H new ATOM 1342 N LYS A 92 -5.148 -5.402 -7.050 1.00 51.12 N ATOM 1343 CA LYS A 92 -6.486 -5.449 -6.701 1.00 71.21 C ATOM 1344 C LYS A 92 -6.690 -6.765 -5.986 1.00 0.13 C ATOM 1345 O LYS A 92 -6.227 -7.821 -6.452 1.00 2.01 O ATOM 1346 CB LYS A 92 -7.376 -5.332 -7.954 1.00 34.33 C ATOM 1347 CG LYS A 92 -8.731 -5.873 -7.752 1.00 42.25 C ATOM 1348 CD LYS A 92 -9.731 -5.505 -8.853 1.00 34.11 C ATOM 1349 CE LYS A 92 -11.110 -6.174 -8.684 1.00 61.25 C ATOM 1350 NZ LYS A 92 -12.040 -5.730 -9.747 1.00 63.14 N ATOM 0 H LYS A 92 -4.973 -5.438 -8.054 1.00 51.12 H new ATOM 0 HA LYS A 92 -6.764 -4.617 -6.054 1.00 71.21 H new ATOM 0 HB2 LYS A 92 -7.449 -4.284 -8.244 1.00 34.33 H new ATOM 0 HB3 LYS A 92 -6.900 -5.859 -8.781 1.00 34.33 H new ATOM 0 HG2 LYS A 92 -8.669 -6.959 -7.683 1.00 42.25 H new ATOM 0 HG3 LYS A 92 -9.113 -5.514 -6.796 1.00 42.25 H new ATOM 0 HD2 LYS A 92 -9.861 -4.423 -8.867 1.00 34.11 H new ATOM 0 HD3 LYS A 92 -9.315 -5.789 -9.820 1.00 34.11 H new ATOM 0 HE2 LYS A 92 -11.001 -7.258 -8.719 1.00 61.25 H new ATOM 0 HE3 LYS A 92 -11.523 -5.926 -7.706 1.00 61.25 H new ATOM 0 HZ1 LYS A 92 -12.763 -6.461 -9.903 1.00 63.14 H new ATOM 0 HZ2 LYS A 92 -12.500 -4.843 -9.458 1.00 63.14 H new ATOM 0 HZ3 LYS A 92 -11.511 -5.574 -10.628 1.00 63.14 H new ATOM 1364 N GLY A 93 -7.309 -6.683 -4.803 1.00 14.30 N ATOM 1365 CA GLY A 93 -7.359 -7.779 -3.895 1.00 21.34 C ATOM 1366 C GLY A 93 -8.607 -8.522 -4.152 1.00 5.04 C ATOM 1367 O GLY A 93 -9.194 -8.445 -5.238 1.00 30.14 O ATOM 0 H GLY A 93 -7.783 -5.843 -4.470 1.00 14.30 H new ATOM 0 HA2 GLY A 93 -6.494 -8.428 -4.031 1.00 21.34 H new ATOM 0 HA3 GLY A 93 -7.332 -7.423 -2.865 1.00 21.34 H new ATOM 1371 N GLN A 94 -9.050 -9.304 -3.143 1.00 23.34 N ATOM 1372 CA GLN A 94 -10.219 -10.119 -3.306 1.00 72.20 C ATOM 1373 C GLN A 94 -11.414 -9.222 -3.231 1.00 73.21 C ATOM 1374 O GLN A 94 -12.307 -9.295 -4.086 1.00 23.20 O ATOM 1375 CB GLN A 94 -10.357 -11.225 -2.228 1.00 14.55 C ATOM 1376 CG GLN A 94 -9.063 -12.044 -2.019 1.00 10.22 C ATOM 1377 CD GLN A 94 -8.599 -12.583 -3.364 1.00 42.05 C ATOM 1378 OE1 GLN A 94 -7.533 -12.202 -3.865 1.00 2.21 O ATOM 1379 NE2 GLN A 94 -9.399 -13.471 -3.975 1.00 73.20 N ATOM 0 H GLN A 94 -8.605 -9.371 -2.228 1.00 23.34 H new ATOM 0 HA GLN A 94 -10.138 -10.627 -4.267 1.00 72.20 H new ATOM 0 HB2 GLN A 94 -10.644 -10.766 -1.282 1.00 14.55 H new ATOM 0 HB3 GLN A 94 -11.164 -11.901 -2.513 1.00 14.55 H new ATOM 0 HG2 GLN A 94 -8.288 -11.418 -1.576 1.00 10.22 H new ATOM 0 HG3 GLN A 94 -9.244 -12.865 -1.326 1.00 10.22 H new ATOM 0 HE21 GLN A 94 -10.270 -13.762 -3.532 1.00 73.20 H new ATOM 0 HE22 GLN A 94 -9.135 -13.855 -4.883 1.00 73.20 H new ATOM 1388 N SER A 95 -11.460 -8.333 -2.201 1.00 22.42 N ATOM 1389 CA SER A 95 -12.559 -7.399 -2.074 1.00 62.54 C ATOM 1390 C SER A 95 -12.474 -6.446 -3.267 1.00 73.20 C ATOM 1391 O SER A 95 -11.407 -5.913 -3.571 1.00 34.34 O ATOM 1392 CB SER A 95 -12.473 -6.545 -0.786 1.00 42.12 C ATOM 1393 OG SER A 95 -12.292 -7.388 0.366 1.00 1.13 O ATOM 0 H SER A 95 -10.752 -8.261 -1.471 1.00 22.42 H new ATOM 0 HA SER A 95 -13.489 -7.966 -2.036 1.00 62.54 H new ATOM 0 HB2 SER A 95 -11.644 -5.842 -0.863 1.00 42.12 H new ATOM 0 HB3 SER A 95 -13.382 -5.954 -0.673 1.00 42.12 H new ATOM 0 HG SER A 95 -12.238 -6.833 1.172 1.00 1.13 H new ATOM 1399 N PRO A 96 -13.591 -6.306 -3.992 1.00 65.34 N ATOM 1400 CA PRO A 96 -13.600 -5.652 -5.280 1.00 40.22 C ATOM 1401 C PRO A 96 -13.366 -4.185 -5.096 1.00 61.00 C ATOM 1402 O PRO A 96 -13.728 -3.632 -4.044 1.00 13.41 O ATOM 1403 CB PRO A 96 -15.011 -5.917 -5.832 1.00 41.25 C ATOM 1404 CG PRO A 96 -15.874 -6.124 -4.578 1.00 1.50 C ATOM 1405 CD PRO A 96 -14.910 -6.795 -3.597 1.00 70.40 C ATOM 0 HA PRO A 96 -12.825 -6.017 -5.954 1.00 40.22 H new ATOM 0 HB2 PRO A 96 -15.370 -5.078 -6.428 1.00 41.25 H new ATOM 0 HB3 PRO A 96 -15.028 -6.796 -6.477 1.00 41.25 H new ATOM 0 HG2 PRO A 96 -16.252 -5.179 -4.188 1.00 1.50 H new ATOM 0 HG3 PRO A 96 -16.740 -6.752 -4.785 1.00 1.50 H new ATOM 0 HD2 PRO A 96 -15.141 -6.526 -2.566 1.00 70.40 H new ATOM 0 HD3 PRO A 96 -14.967 -7.881 -3.664 1.00 70.40 H new ATOM 1413 N THR A 97 -12.782 -3.552 -6.104 1.00 0.32 N ATOM 1414 CA THR A 97 -12.578 -2.154 -6.096 1.00 75.22 C ATOM 1415 C THR A 97 -13.784 -1.587 -6.851 1.00 12.41 C ATOM 1416 O THR A 97 -14.460 -0.697 -6.320 1.00 71.13 O ATOM 1417 CB THR A 97 -11.303 -1.761 -6.805 1.00 31.22 C ATOM 1418 OG1 THR A 97 -10.224 -2.553 -6.291 1.00 12.24 O ATOM 1419 CG2 THR A 97 -11.033 -0.272 -6.539 1.00 71.41 C ATOM 0 H THR A 97 -12.443 -4.019 -6.945 1.00 0.32 H new ATOM 0 HA THR A 97 -12.486 -1.776 -5.078 1.00 75.22 H new ATOM 0 HB THR A 97 -11.394 -1.929 -7.878 1.00 31.22 H new ATOM 0 HG1 THR A 97 -10.305 -2.623 -5.317 1.00 12.24 H new ATOM 0 HG21 THR A 97 -10.115 0.027 -7.045 1.00 71.41 H new ATOM 0 HG22 THR A 97 -11.865 0.322 -6.917 1.00 71.41 H new ATOM 0 HG23 THR A 97 -10.927 -0.107 -5.467 1.00 71.41 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -2.623 1.534 11.308 1.00 11.31 C HETATM 1429 C2 33B A 101 -2.900 0.636 12.498 1.00 14.20 C HETATM 1430 O2 33B A 101 -4.061 0.265 12.725 1.00 14.02 O HETATM 1431 N3 33B A 101 -1.867 0.193 13.317 1.00 2.42 N HETATM 1432 C4 33B A 101 -0.335 0.498 13.262 1.00 1.34 C HETATM 1433 C5 33B A 101 0.262 1.399 12.309 1.00 23.24 C HETATM 1434 C6 33B A 101 0.577 -0.183 14.204 1.00 30.30 C HETATM 1435 S6 33B A 101 0.062 -1.381 15.464 1.00 25.11 S HETATM 1436 C7 33B A 101 1.641 1.571 12.256 1.00 62.00 C HETATM 1437 C8 33B A 101 1.951 0.067 14.108 1.00 24.23 C HETATM 1438 C9 33B A 101 2.487 0.911 13.157 1.00 30.14 C HETATM 1439 N10 33B A 101 3.967 1.023 13.062 1.00 62.42 N HETATM 1440 N11 33B A 101 4.587 1.663 12.189 1.00 25.43 N HETATM 1441 C12 33B A 101 6.084 1.720 12.171 1.00 42.51 C HETATM 1442 C13 33B A 101 6.743 2.426 11.173 1.00 24.50 C HETATM 1443 C14 33B A 101 6.834 1.105 13.183 1.00 15.12 C HETATM 1444 C15 33B A 101 8.130 2.506 11.141 1.00 23.43 C HETATM 1445 C16 33B A 101 8.227 1.161 13.227 1.00 72.41 C HETATM 1446 C17 33B A 101 8.938 1.883 12.149 1.00 21.01 C HETATM 1447 S17 33B A 101 9.021 0.304 14.613 1.00 14.03 S HETATM 1448 N18 33B A 101 10.495 1.973 12.159 1.00 71.15 N HETATM 1449 C19 33B A 101 11.369 2.539 11.207 1.00 62.31 C HETATM 1450 O19 33B A 101 12.559 2.715 11.502 1.00 55.33 O HETATM 1451 C20 33B A 101 10.904 2.891 9.785 1.00 3.31 C HETATM 1452 O61 33B A 101 -1.365 -1.538 15.288 1.00 41.43 O HETATM 1453 O62 33B A 101 0.858 -2.538 15.117 1.00 51.35 O HETATM 1454 O63 33B A 101 0.449 -0.719 16.691 1.00 73.41 O HETATM 1455 O71 33B A 101 10.432 0.535 14.443 1.00 24.04 O HETATM 1456 O72 33B A 101 8.422 0.969 15.760 1.00 71.35 O HETATM 1457 O73 33B A 101 8.575 -1.068 14.414 1.00 30.02 O HETATM 0 HO72 33B A 101 8.780 0.583 16.586 1.00 71.35 H new HETATM 0 HO62 33B A 101 0.664 -3.268 15.741 1.00 51.35 H new HETATM 0 HN18 33B A 101 10.949 1.562 12.975 1.00 71.15 H new HETATM 0 HN3 33B A 101 -2.154 -0.429 14.073 1.00 2.42 H new HETATM 0 H8 33B A 101 2.623 -0.424 14.812 1.00 24.23 H new HETATM 0 H7 33B A 101 2.071 2.230 11.501 1.00 62.00 H new HETATM 0 H5 33B A 101 -0.376 1.953 11.620 1.00 23.24 H new HETATM 0 H15 33B A 101 8.614 3.054 10.333 1.00 23.43 H new HETATM 0 H14 33B A 101 6.307 0.561 13.967 1.00 15.12 H new HETATM 0 H13 33B A 101 6.161 2.927 10.400 1.00 24.50 H new