USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 721 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 13 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.383) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.627 K(o=-0.63,f=-2.8!) USER MOD Single : A 16 ASN : amide:sc= -0.193 X(o=-0.19,f=0.00048) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.66 USER MOD Single : A 27 ASN : amide:sc= -1.54! C(o=-1.5!,f=-3.7!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -4.37 K(o=-4.4,f=-5.7!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 83:sc= 0.109 USER MOD Single : A 53 HIS : no HD1:sc= -0.0474 X(o=-0.047,f=-0.06) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.53! C(o=-4.5!,f=-2.9!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -6.81! C(o=-6.8!,f=-5.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.782 K(o=-0.78,f=-10!) USER MOD Single : A 77 THR OG1 : rot -29:sc= -2.49! USER MOD Single : A 80 ASN : amide:sc= -1.95 K(o=-2,f=-8.6!) USER MOD Single : A 81 THR OG1 : rot -89:sc= -0.367 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.505 X(o=-0.51,f=-0.28) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.83) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0349 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -21.997 1.630 -5.453 1.00 15.00 N ATOM 2 CA PRO A 1 -21.510 2.620 -4.454 1.00 15.00 C ATOM 3 C PRO A 1 -21.333 1.992 -3.072 1.00 15.00 C ATOM 4 O PRO A 1 -22.093 2.276 -2.146 1.00 15.00 O ATOM 5 CB PRO A 1 -22.526 3.759 -4.402 1.00 15.00 C ATOM 6 CG PRO A 1 -23.655 3.286 -5.256 1.00 15.00 C ATOM 7 CD PRO A 1 -23.066 2.287 -6.223 1.00 15.00 C ATOM 0 H2 PRO A 1 -22.349 0.792 -4.989 1.00 15.00 H new ATOM 0 H3 PRO A 1 -21.239 1.335 -6.068 1.00 15.00 H new ATOM 0 HA PRO A 1 -20.529 2.990 -4.753 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -22.854 3.953 -3.381 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -22.102 4.688 -4.782 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -24.435 2.826 -4.649 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -24.115 4.118 -5.789 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -23.814 1.569 -6.559 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -22.672 2.778 -7.113 1.00 15.00 H new ATOM 17 N LYS A 2 -20.325 1.136 -2.944 1.00 15.00 N ATOM 18 CA LYS A 2 -20.044 0.467 -1.679 1.00 15.00 C ATOM 19 C LYS A 2 -18.577 0.055 -1.598 1.00 15.00 C ATOM 20 O LYS A 2 -17.950 -0.235 -2.617 1.00 15.00 O ATOM 21 CB LYS A 2 -20.941 -0.762 -1.519 1.00 15.00 C ATOM 22 CG LYS A 2 -20.668 -1.852 -2.543 1.00 15.00 C ATOM 23 CD LYS A 2 -21.307 -1.529 -3.884 1.00 15.00 C ATOM 24 CE LYS A 2 -21.883 -2.773 -4.540 1.00 15.00 C ATOM 25 NZ LYS A 2 -23.319 -2.967 -4.198 1.00 15.00 N ATOM 0 H LYS A 2 -19.688 0.889 -3.702 1.00 15.00 H new ATOM 0 HA LYS A 2 -20.252 1.167 -0.870 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -20.805 -1.173 -0.519 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -21.983 -0.453 -1.598 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -19.592 -1.971 -2.671 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -21.053 -2.803 -2.175 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -22.097 -0.791 -3.744 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -20.565 -1.079 -4.543 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -21.775 -2.696 -5.622 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -21.313 -3.647 -4.224 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -23.674 -3.826 -4.665 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -23.420 -3.066 -3.168 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -23.867 -2.145 -4.522 1.00 15.00 H new ATOM 39 N PRO A 3 -18.007 0.026 -0.381 1.00 15.00 N ATOM 40 CA PRO A 3 -16.606 -0.353 -0.178 1.00 15.00 C ATOM 41 C PRO A 3 -16.285 -1.719 -0.770 1.00 15.00 C ATOM 42 O PRO A 3 -17.076 -2.278 -1.530 1.00 15.00 O ATOM 43 CB PRO A 3 -16.454 -0.387 1.342 1.00 15.00 C ATOM 44 CG PRO A 3 -17.538 0.497 1.856 1.00 15.00 C ATOM 45 CD PRO A 3 -18.679 0.359 0.888 1.00 15.00 C ATOM 0 HA PRO A 3 -15.926 0.342 -0.670 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -16.556 -1.402 1.727 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -15.472 -0.027 1.649 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -17.840 0.200 2.860 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -17.201 1.532 1.917 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -19.373 -0.424 1.193 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -19.254 1.282 0.809 1.00 15.00 H new ATOM 53 N GLY A 4 -15.116 -2.249 -0.426 1.00 15.00 N ATOM 54 CA GLY A 4 -14.712 -3.542 -0.942 1.00 15.00 C ATOM 55 C GLY A 4 -14.089 -3.443 -2.321 1.00 15.00 C ATOM 56 O GLY A 4 -13.461 -4.390 -2.795 1.00 15.00 O ATOM 0 H GLY A 4 -14.443 -1.807 0.200 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -13.999 -3.998 -0.255 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.579 -4.201 -0.984 1.00 15.00 H new ATOM 60 N ASP A 5 -14.260 -2.292 -2.965 1.00 15.00 N ATOM 61 CA ASP A 5 -13.709 -2.069 -4.296 1.00 15.00 C ATOM 62 C ASP A 5 -12.195 -1.978 -4.246 1.00 15.00 C ATOM 63 O ASP A 5 -11.608 -1.661 -3.212 1.00 15.00 O ATOM 64 CB ASP A 5 -14.291 -0.795 -4.909 1.00 15.00 C ATOM 65 CG ASP A 5 -15.796 -0.869 -5.077 1.00 15.00 C ATOM 66 OD1 ASP A 5 -16.299 -1.949 -5.449 1.00 15.00 O ATOM 67 OD2 ASP A 5 -16.471 0.154 -4.837 1.00 15.00 O ATOM 0 H ASP A 5 -14.777 -1.499 -2.585 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.983 -2.918 -4.922 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -14.040 0.057 -4.276 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -13.828 -0.618 -5.880 1.00 15.00 H new ATOM 72 N ILE A 6 -11.575 -2.272 -5.375 1.00 15.00 N ATOM 73 CA ILE A 6 -10.131 -2.244 -5.488 1.00 15.00 C ATOM 74 C ILE A 6 -9.665 -1.004 -6.244 1.00 15.00 C ATOM 75 O ILE A 6 -10.309 -0.568 -7.198 1.00 15.00 O ATOM 76 CB ILE A 6 -9.633 -3.511 -6.215 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.207 -4.572 -5.200 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.482 -3.189 -7.166 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.309 -4.966 -4.241 1.00 15.00 C ATOM 0 H ILE A 6 -12.057 -2.535 -6.234 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.714 -2.213 -4.482 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.457 -3.903 -6.810 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.867 -5.459 -5.734 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.357 -4.198 -4.630 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.154 -4.102 -7.663 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.818 -2.470 -7.913 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.652 -2.765 -6.602 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.937 -5.722 -3.550 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.634 -4.090 -3.680 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.152 -5.371 -4.802 1.00 15.00 H new ATOM 91 N PHE A 7 -8.532 -0.455 -5.826 1.00 15.00 N ATOM 92 CA PHE A 7 -7.973 0.716 -6.482 1.00 15.00 C ATOM 93 C PHE A 7 -6.455 0.598 -6.576 1.00 15.00 C ATOM 94 O PHE A 7 -5.855 -0.264 -5.939 1.00 15.00 O ATOM 95 CB PHE A 7 -8.374 1.998 -5.744 1.00 15.00 C ATOM 96 CG PHE A 7 -7.573 2.271 -4.501 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.276 2.753 -4.588 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.120 2.052 -3.247 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.541 3.010 -3.449 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.389 2.308 -2.104 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.097 2.788 -2.206 1.00 15.00 C ATOM 0 H PHE A 7 -7.985 -0.802 -5.038 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.378 0.770 -7.493 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.268 2.843 -6.424 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.429 1.935 -5.476 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.836 2.929 -5.558 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.129 1.677 -3.163 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.531 3.385 -3.530 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.826 2.133 -1.132 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.523 2.989 -1.313 1.00 15.00 H new ATOM 111 N GLU A 8 -5.843 1.456 -7.383 1.00 15.00 N ATOM 112 CA GLU A 8 -4.397 1.427 -7.566 1.00 15.00 C ATOM 113 C GLU A 8 -3.775 2.808 -7.395 1.00 15.00 C ATOM 114 O GLU A 8 -4.340 3.819 -7.811 1.00 15.00 O ATOM 115 CB GLU A 8 -4.060 0.882 -8.949 1.00 15.00 C ATOM 116 CG GLU A 8 -4.765 1.612 -10.073 1.00 15.00 C ATOM 117 CD GLU A 8 -5.025 0.726 -11.276 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.454 -0.431 -11.079 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.800 1.189 -12.414 1.00 15.00 O ATOM 0 H GLU A 8 -6.323 2.178 -7.920 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.981 0.775 -6.798 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.983 0.946 -9.104 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.326 -0.174 -8.989 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.713 2.006 -9.706 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.162 2.466 -10.380 1.00 15.00 H new ATOM 126 N VAL A 9 -2.593 2.825 -6.797 1.00 15.00 N ATOM 127 CA VAL A 9 -1.846 4.058 -6.576 1.00 15.00 C ATOM 128 C VAL A 9 -0.747 4.176 -7.623 1.00 15.00 C ATOM 129 O VAL A 9 0.156 3.342 -7.685 1.00 15.00 O ATOM 130 CB VAL A 9 -1.243 4.124 -5.145 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.261 2.754 -4.479 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.175 4.689 -5.159 1.00 15.00 C ATOM 0 H VAL A 9 -2.124 1.988 -6.451 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.536 4.896 -6.670 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.869 4.800 -4.562 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.833 2.830 -3.479 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.289 2.397 -4.408 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.674 2.053 -5.073 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.564 4.720 -4.141 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.814 4.054 -5.773 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.161 5.697 -5.573 1.00 15.00 H new ATOM 142 N GLU A 10 -0.845 5.195 -8.463 1.00 15.00 N ATOM 143 CA GLU A 10 0.127 5.389 -9.526 1.00 15.00 C ATOM 144 C GLU A 10 1.087 6.541 -9.243 1.00 15.00 C ATOM 145 O GLU A 10 0.977 7.613 -9.838 1.00 15.00 O ATOM 146 CB GLU A 10 -0.601 5.627 -10.843 1.00 15.00 C ATOM 147 CG GLU A 10 0.328 5.835 -12.028 1.00 15.00 C ATOM 148 CD GLU A 10 -0.197 5.196 -13.299 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.448 3.973 -13.290 1.00 15.00 O ATOM 150 OE2 GLU A 10 -0.358 5.920 -14.304 1.00 15.00 O ATOM 0 H GLU A 10 -1.584 5.897 -8.429 1.00 15.00 H new ATOM 0 HA GLU A 10 0.730 4.483 -9.587 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.251 4.776 -11.047 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.244 6.501 -10.739 1.00 15.00 H new ATOM 0 HG2 GLU A 10 0.467 6.903 -12.193 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.308 5.419 -11.794 1.00 15.00 H new ATOM 157 N LEU A 11 2.051 6.301 -8.362 1.00 15.00 N ATOM 158 CA LEU A 11 3.053 7.310 -8.043 1.00 15.00 C ATOM 159 C LEU A 11 4.216 7.182 -9.021 1.00 15.00 C ATOM 160 O LEU A 11 4.356 6.158 -9.687 1.00 15.00 O ATOM 161 CB LEU A 11 3.550 7.159 -6.601 1.00 15.00 C ATOM 162 CG LEU A 11 3.854 8.471 -5.868 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.602 9.326 -5.738 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.447 8.186 -4.494 1.00 15.00 C ATOM 0 H LEU A 11 2.160 5.421 -7.858 1.00 15.00 H new ATOM 0 HA LEU A 11 2.602 8.298 -8.134 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.800 6.610 -6.032 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.453 6.549 -6.608 1.00 15.00 H new ATOM 0 HG LEU A 11 4.584 9.027 -6.457 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.846 10.250 -5.214 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.218 9.561 -6.730 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.845 8.779 -5.176 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.657 9.127 -3.986 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.737 7.606 -3.904 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.372 7.620 -4.607 1.00 15.00 H new ATOM 176 N ALA A 12 5.034 8.216 -9.128 1.00 15.00 N ATOM 177 CA ALA A 12 6.162 8.181 -10.055 1.00 15.00 C ATOM 178 C ALA A 12 7.466 7.787 -9.370 1.00 15.00 C ATOM 179 O ALA A 12 8.212 8.643 -8.897 1.00 15.00 O ATOM 180 CB ALA A 12 6.321 9.516 -10.759 1.00 15.00 C ATOM 0 H ALA A 12 4.944 9.081 -8.594 1.00 15.00 H new ATOM 0 HA ALA A 12 5.938 7.412 -10.794 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.167 9.467 -11.445 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.413 9.743 -11.318 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.497 10.298 -10.020 1.00 15.00 H new ATOM 186 N LYS A 13 7.739 6.486 -9.339 1.00 15.00 N ATOM 187 CA LYS A 13 8.963 5.956 -8.738 1.00 15.00 C ATOM 188 C LYS A 13 10.208 6.399 -9.513 1.00 15.00 C ATOM 189 O LYS A 13 11.011 5.574 -9.948 1.00 15.00 O ATOM 190 CB LYS A 13 8.905 4.439 -8.724 1.00 15.00 C ATOM 191 CG LYS A 13 9.421 3.806 -7.442 1.00 15.00 C ATOM 192 CD LYS A 13 10.808 4.314 -7.079 1.00 15.00 C ATOM 193 CE LYS A 13 10.760 5.235 -5.874 1.00 15.00 C ATOM 194 NZ LYS A 13 12.069 5.902 -5.630 1.00 15.00 N ATOM 0 H LYS A 13 7.123 5.771 -9.727 1.00 15.00 H new ATOM 0 HA LYS A 13 9.033 6.345 -7.722 1.00 15.00 H new ATOM 0 HB2 LYS A 13 7.873 4.125 -8.881 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.486 4.057 -9.564 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.730 4.021 -6.627 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.450 2.723 -7.558 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.463 3.469 -6.868 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.237 4.845 -7.929 1.00 15.00 H new ATOM 0 HE2 LYS A 13 9.990 5.992 -6.026 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.474 4.663 -4.991 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.361 5.743 -4.645 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.785 5.506 -6.272 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 11.976 6.923 -5.803 1.00 15.00 H new ATOM 208 N ASN A 14 10.360 7.692 -9.694 1.00 15.00 N ATOM 209 CA ASN A 14 11.499 8.233 -10.429 1.00 15.00 C ATOM 210 C ASN A 14 12.483 8.949 -9.502 1.00 15.00 C ATOM 211 O ASN A 14 13.442 8.345 -9.022 1.00 15.00 O ATOM 212 CB ASN A 14 11.012 9.180 -11.532 1.00 15.00 C ATOM 213 CG ASN A 14 12.155 9.814 -12.302 1.00 15.00 C ATOM 214 OD1 ASN A 14 13.319 9.466 -12.106 1.00 15.00 O ATOM 215 ND2 ASN A 14 11.827 10.752 -13.183 1.00 15.00 N ATOM 0 H ASN A 14 9.711 8.397 -9.344 1.00 15.00 H new ATOM 0 HA ASN A 14 12.030 7.398 -10.885 1.00 15.00 H new ATOM 0 HB2 ASN A 14 10.374 8.629 -12.223 1.00 15.00 H new ATOM 0 HB3 ASN A 14 10.399 9.964 -11.088 1.00 15.00 H new ATOM 0 HD21 ASN A 14 12.553 11.215 -13.729 1.00 15.00 H new ATOM 0 HD22 ASN A 14 10.849 11.009 -13.313 1.00 15.00 H new ATOM 222 N ASP A 15 12.251 10.238 -9.260 1.00 15.00 N ATOM 223 CA ASP A 15 13.132 11.021 -8.400 1.00 15.00 C ATOM 224 C ASP A 15 12.536 11.198 -7.008 1.00 15.00 C ATOM 225 O ASP A 15 12.868 12.148 -6.299 1.00 15.00 O ATOM 226 CB ASP A 15 13.403 12.389 -9.028 1.00 15.00 C ATOM 227 CG ASP A 15 12.130 13.085 -9.469 1.00 15.00 C ATOM 228 OD1 ASP A 15 11.525 12.640 -10.467 1.00 15.00 O ATOM 229 OD2 ASP A 15 11.738 14.076 -8.817 1.00 15.00 O ATOM 0 H ASP A 15 11.464 10.759 -9.646 1.00 15.00 H new ATOM 0 HA ASP A 15 14.071 10.477 -8.300 1.00 15.00 H new ATOM 0 HB2 ASP A 15 13.928 13.018 -8.309 1.00 15.00 H new ATOM 0 HB3 ASP A 15 14.063 12.267 -9.887 1.00 15.00 H new ATOM 234 N ASN A 16 11.657 10.281 -6.618 1.00 15.00 N ATOM 235 CA ASN A 16 11.024 10.347 -5.306 1.00 15.00 C ATOM 236 C ASN A 16 10.350 9.027 -4.955 1.00 15.00 C ATOM 237 O ASN A 16 9.563 8.491 -5.735 1.00 15.00 O ATOM 238 CB ASN A 16 10.000 11.482 -5.262 1.00 15.00 C ATOM 239 CG ASN A 16 9.148 11.546 -6.515 1.00 15.00 C ATOM 240 OD1 ASN A 16 9.433 12.312 -7.435 1.00 15.00 O ATOM 241 ND2 ASN A 16 8.095 10.738 -6.556 1.00 15.00 N ATOM 0 H ASN A 16 11.368 9.487 -7.189 1.00 15.00 H new ATOM 0 HA ASN A 16 11.804 10.542 -4.570 1.00 15.00 H new ATOM 0 HB2 ASN A 16 9.354 11.350 -4.394 1.00 15.00 H new ATOM 0 HB3 ASN A 16 10.520 12.431 -5.132 1.00 15.00 H new ATOM 0 HD21 ASN A 16 7.485 10.736 -7.373 1.00 15.00 H new ATOM 0 HD22 ASN A 16 7.896 10.119 -5.770 1.00 15.00 H new ATOM 248 N SER A 17 10.660 8.514 -3.771 1.00 15.00 N ATOM 249 CA SER A 17 10.080 7.260 -3.307 1.00 15.00 C ATOM 250 C SER A 17 8.787 7.518 -2.550 1.00 15.00 C ATOM 251 O SER A 17 8.201 8.593 -2.655 1.00 15.00 O ATOM 252 CB SER A 17 11.061 6.513 -2.403 1.00 15.00 C ATOM 253 OG SER A 17 12.309 7.181 -2.334 1.00 15.00 O ATOM 0 H SER A 17 11.310 8.947 -3.115 1.00 15.00 H new ATOM 0 HA SER A 17 9.865 6.646 -4.181 1.00 15.00 H new ATOM 0 HB2 SER A 17 10.639 6.422 -1.402 1.00 15.00 H new ATOM 0 HB3 SER A 17 11.208 5.501 -2.780 1.00 15.00 H new ATOM 0 HG SER A 17 12.915 6.682 -1.748 1.00 15.00 H new ATOM 259 N LEU A 18 8.348 6.530 -1.779 1.00 15.00 N ATOM 260 CA LEU A 18 7.129 6.673 -1.006 1.00 15.00 C ATOM 261 C LEU A 18 7.397 7.464 0.271 1.00 15.00 C ATOM 262 O LEU A 18 8.442 8.098 0.412 1.00 15.00 O ATOM 263 CB LEU A 18 6.532 5.299 -0.674 1.00 15.00 C ATOM 264 CG LEU A 18 6.134 4.453 -1.887 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.242 5.251 -2.825 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.370 3.954 -2.620 1.00 15.00 C ATOM 0 H LEU A 18 8.816 5.630 -1.675 1.00 15.00 H new ATOM 0 HA LEU A 18 6.405 7.223 -1.607 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.256 4.739 -0.082 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.652 5.444 -0.047 1.00 15.00 H new ATOM 0 HG LEU A 18 5.573 3.588 -1.533 1.00 15.00 H new ATOM 0 HD11 LEU A 18 4.969 4.634 -3.681 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.339 5.557 -2.296 1.00 15.00 H new ATOM 0 HD13 LEU A 18 5.777 6.135 -3.171 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.067 3.355 -3.479 1.00 15.00 H new ATOM 0 HD22 LEU A 18 7.959 4.805 -2.961 1.00 15.00 H new ATOM 0 HD23 LEU A 18 7.971 3.344 -1.946 1.00 15.00 H new ATOM 278 N GLY A 19 6.444 7.427 1.191 1.00 15.00 N ATOM 279 CA GLY A 19 6.584 8.147 2.441 1.00 15.00 C ATOM 280 C GLY A 19 5.541 7.726 3.442 1.00 15.00 C ATOM 281 O GLY A 19 5.013 8.549 4.185 1.00 15.00 O ATOM 0 H GLY A 19 5.571 6.908 1.093 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.577 7.971 2.854 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.501 9.218 2.256 1.00 15.00 H new ATOM 285 N ILE A 20 5.226 6.441 3.437 1.00 15.00 N ATOM 286 CA ILE A 20 4.223 5.897 4.332 1.00 15.00 C ATOM 287 C ILE A 20 4.826 4.960 5.372 1.00 15.00 C ATOM 288 O ILE A 20 5.708 4.157 5.067 1.00 15.00 O ATOM 289 CB ILE A 20 3.138 5.142 3.531 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.786 5.819 3.723 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.066 3.684 3.954 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.604 4.892 3.573 1.00 15.00 C ATOM 0 H ILE A 20 5.655 5.753 2.818 1.00 15.00 H new ATOM 0 HA ILE A 20 3.776 6.741 4.857 1.00 15.00 H new ATOM 0 HB ILE A 20 3.404 5.173 2.474 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.756 6.271 4.714 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.692 6.630 3.000 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.295 3.175 3.376 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.029 3.205 3.776 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.822 3.625 5.015 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.319 5.452 3.725 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.606 4.459 2.573 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.671 4.095 4.313 1.00 15.00 H new ATOM 304 N SER A 21 4.292 5.027 6.582 1.00 15.00 N ATOM 305 CA SER A 21 4.717 4.144 7.652 1.00 15.00 C ATOM 306 C SER A 21 3.747 2.970 7.675 1.00 15.00 C ATOM 307 O SER A 21 2.610 3.105 8.127 1.00 15.00 O ATOM 308 CB SER A 21 4.728 4.881 8.995 1.00 15.00 C ATOM 309 OG SER A 21 4.992 3.991 10.066 1.00 15.00 O ATOM 0 H SER A 21 3.561 5.687 6.846 1.00 15.00 H new ATOM 0 HA SER A 21 5.735 3.792 7.482 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.484 5.666 8.976 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.766 5.369 9.153 1.00 15.00 H new ATOM 0 HG SER A 21 4.995 4.488 10.911 1.00 15.00 H new ATOM 315 N VAL A 22 4.172 1.840 7.121 1.00 15.00 N ATOM 316 CA VAL A 22 3.298 0.677 7.017 1.00 15.00 C ATOM 317 C VAL A 22 3.440 -0.288 8.187 1.00 15.00 C ATOM 318 O VAL A 22 4.463 -0.321 8.870 1.00 15.00 O ATOM 319 CB VAL A 22 3.563 -0.089 5.710 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.262 0.785 4.503 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.999 -0.583 5.665 1.00 15.00 C ATOM 0 H VAL A 22 5.108 1.704 6.740 1.00 15.00 H new ATOM 0 HA VAL A 22 2.281 1.070 7.029 1.00 15.00 H new ATOM 0 HB VAL A 22 2.899 -0.953 5.680 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.456 0.223 3.589 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.216 1.089 4.526 1.00 15.00 H new ATOM 0 HG13 VAL A 22 3.898 1.670 4.527 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.169 -1.123 4.733 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.678 0.268 5.721 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.181 -1.249 6.509 1.00 15.00 H new ATOM 331 N THR A 23 2.383 -1.069 8.403 1.00 15.00 N ATOM 332 CA THR A 23 2.342 -2.046 9.483 1.00 15.00 C ATOM 333 C THR A 23 1.474 -3.246 9.093 1.00 15.00 C ATOM 334 O THR A 23 0.991 -3.336 7.960 1.00 15.00 O ATOM 335 CB THR A 23 1.796 -1.391 10.754 1.00 15.00 C ATOM 336 OG1 THR A 23 1.724 0.013 10.601 1.00 15.00 O ATOM 337 CG2 THR A 23 2.627 -1.674 11.985 1.00 15.00 C ATOM 0 H THR A 23 1.536 -1.041 7.836 1.00 15.00 H new ATOM 0 HA THR A 23 3.355 -2.402 9.670 1.00 15.00 H new ATOM 0 HB THR A 23 0.808 -1.827 10.898 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.846 0.444 11.473 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.181 -1.178 12.847 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.661 -2.749 12.162 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.639 -1.299 11.835 1.00 15.00 H new ATOM 345 N GLY A 24 1.275 -4.162 10.039 1.00 15.00 N ATOM 346 CA GLY A 24 0.463 -5.340 9.778 1.00 15.00 C ATOM 347 C GLY A 24 1.122 -6.293 8.800 1.00 15.00 C ATOM 348 O GLY A 24 2.230 -6.767 9.041 1.00 15.00 O ATOM 0 H GLY A 24 1.662 -4.109 10.981 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.272 -5.861 10.716 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.505 -5.030 9.383 1.00 15.00 H new ATOM 352 N GLY A 25 0.442 -6.565 7.690 1.00 15.00 N ATOM 353 CA GLY A 25 0.987 -7.454 6.677 1.00 15.00 C ATOM 354 C GLY A 25 1.118 -8.895 7.137 1.00 15.00 C ATOM 355 O GLY A 25 0.470 -9.785 6.587 1.00 15.00 O ATOM 0 H GLY A 25 -0.479 -6.185 7.473 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.348 -7.420 5.795 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.968 -7.088 6.374 1.00 15.00 H new ATOM 359 N VAL A 26 1.974 -9.121 8.134 1.00 15.00 N ATOM 360 CA VAL A 26 2.224 -10.462 8.678 1.00 15.00 C ATOM 361 C VAL A 26 1.002 -11.373 8.578 1.00 15.00 C ATOM 362 O VAL A 26 -0.138 -10.919 8.677 1.00 15.00 O ATOM 363 CB VAL A 26 2.667 -10.390 10.152 1.00 15.00 C ATOM 364 CG1 VAL A 26 4.182 -10.305 10.253 1.00 15.00 C ATOM 365 CG2 VAL A 26 2.014 -9.207 10.846 1.00 15.00 C ATOM 0 H VAL A 26 2.514 -8.384 8.588 1.00 15.00 H new ATOM 0 HA VAL A 26 3.022 -10.887 8.069 1.00 15.00 H new ATOM 0 HB VAL A 26 2.344 -11.302 10.654 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.474 -10.255 11.302 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.627 -11.188 9.794 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.532 -9.411 9.736 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.338 -9.171 11.886 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.305 -8.284 10.343 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.930 -9.315 10.807 1.00 15.00 H new ATOM 375 N ASN A 27 1.255 -12.664 8.382 1.00 15.00 N ATOM 376 CA ASN A 27 0.188 -13.654 8.265 1.00 15.00 C ATOM 377 C ASN A 27 -0.417 -13.974 9.632 1.00 15.00 C ATOM 378 O ASN A 27 -0.446 -15.130 10.052 1.00 15.00 O ATOM 379 CB ASN A 27 0.735 -14.935 7.626 1.00 15.00 C ATOM 380 CG ASN A 27 -0.359 -15.827 7.068 1.00 15.00 C ATOM 381 OD1 ASN A 27 -0.495 -15.975 5.854 1.00 15.00 O ATOM 382 ND2 ASN A 27 -1.143 -16.430 7.954 1.00 15.00 N ATOM 0 H ASN A 27 2.195 -13.051 8.300 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.596 -13.238 7.633 1.00 15.00 H new ATOM 0 HB2 ASN A 27 1.425 -14.670 6.825 1.00 15.00 H new ATOM 0 HB3 ASN A 27 1.307 -15.491 8.369 1.00 15.00 H new ATOM 0 HD21 ASN A 27 -1.893 -17.044 7.637 1.00 15.00 H new ATOM 0 HD22 ASN A 27 -0.995 -16.279 8.952 1.00 15.00 H new ATOM 389 N THR A 28 -0.897 -12.945 10.325 1.00 15.00 N ATOM 390 CA THR A 28 -1.497 -13.130 11.641 1.00 15.00 C ATOM 391 C THR A 28 -2.538 -12.053 11.929 1.00 15.00 C ATOM 392 O THR A 28 -3.722 -12.346 12.094 1.00 15.00 O ATOM 393 CB THR A 28 -0.417 -13.112 12.724 1.00 15.00 C ATOM 394 OG1 THR A 28 0.784 -13.689 12.244 1.00 15.00 O ATOM 395 CG2 THR A 28 -0.816 -13.859 13.978 1.00 15.00 C ATOM 0 H THR A 28 -0.882 -11.979 9.998 1.00 15.00 H new ATOM 0 HA THR A 28 -1.996 -14.099 11.648 1.00 15.00 H new ATOM 0 HB THR A 28 -0.277 -12.061 12.975 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.463 -13.667 12.951 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.006 -13.808 14.705 1.00 15.00 H new ATOM 0 HG22 THR A 28 -1.713 -13.407 14.401 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.017 -14.902 13.732 1.00 15.00 H new ATOM 403 N SER A 29 -2.084 -10.806 11.997 1.00 15.00 N ATOM 404 CA SER A 29 -2.970 -9.681 12.275 1.00 15.00 C ATOM 405 C SER A 29 -3.952 -9.452 11.130 1.00 15.00 C ATOM 406 O SER A 29 -5.158 -9.338 11.349 1.00 15.00 O ATOM 407 CB SER A 29 -2.150 -8.412 12.517 1.00 15.00 C ATOM 408 OG SER A 29 -2.989 -7.277 12.636 1.00 15.00 O ATOM 0 H SER A 29 -1.106 -10.548 11.863 1.00 15.00 H new ATOM 0 HA SER A 29 -3.542 -9.919 13.172 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.557 -8.526 13.424 1.00 15.00 H new ATOM 0 HB3 SER A 29 -1.450 -8.266 11.695 1.00 15.00 H new ATOM 0 HG SER A 29 -2.441 -6.480 12.792 1.00 15.00 H new ATOM 414 N VAL A 30 -3.430 -9.377 9.911 1.00 15.00 N ATOM 415 CA VAL A 30 -4.264 -9.153 8.737 1.00 15.00 C ATOM 416 C VAL A 30 -5.137 -10.367 8.434 1.00 15.00 C ATOM 417 O VAL A 30 -5.144 -11.343 9.185 1.00 15.00 O ATOM 418 CB VAL A 30 -3.411 -8.816 7.498 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.525 -7.612 7.775 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.573 -10.015 7.076 1.00 15.00 C ATOM 0 H VAL A 30 -2.434 -9.468 9.710 1.00 15.00 H new ATOM 0 HA VAL A 30 -4.907 -8.303 8.966 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.083 -8.568 6.677 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -1.929 -7.387 6.890 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.147 -6.752 8.022 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -1.863 -7.833 8.612 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.979 -9.754 6.200 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -1.909 -10.300 7.892 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.230 -10.851 6.833 1.00 15.00 H new ATOM 430 N ARG A 31 -5.876 -10.297 7.331 1.00 15.00 N ATOM 431 CA ARG A 31 -6.756 -11.388 6.929 1.00 15.00 C ATOM 432 C ARG A 31 -5.961 -12.658 6.645 1.00 15.00 C ATOM 433 O ARG A 31 -6.253 -13.719 7.196 1.00 15.00 O ATOM 434 CB ARG A 31 -7.566 -10.988 5.694 1.00 15.00 C ATOM 435 CG ARG A 31 -8.843 -10.234 6.026 1.00 15.00 C ATOM 436 CD ARG A 31 -9.706 -10.026 4.792 1.00 15.00 C ATOM 437 NE ARG A 31 -10.213 -11.288 4.259 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.166 -12.010 4.844 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.717 -11.597 5.979 1.00 15.00 N ATOM 440 NH2 ARG A 31 -11.570 -13.146 4.294 1.00 15.00 N ATOM 0 H ARG A 31 -5.883 -9.496 6.700 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.440 -11.591 7.753 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -6.945 -10.368 5.047 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.819 -11.885 5.129 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.408 -10.786 6.777 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -8.593 -9.267 6.463 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.544 -9.375 5.041 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.124 -9.516 4.024 1.00 15.00 H new ATOM 0 HE ARG A 31 -9.813 -11.636 3.388 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.410 -10.723 6.406 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.447 -12.154 6.424 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -11.151 -13.468 3.422 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -12.300 -13.699 4.743 1.00 15.00 H new ATOM 454 N HIS A 32 -4.953 -12.546 5.784 1.00 15.00 N ATOM 455 CA HIS A 32 -4.121 -13.691 5.435 1.00 15.00 C ATOM 456 C HIS A 32 -2.660 -13.282 5.271 1.00 15.00 C ATOM 457 O HIS A 32 -1.772 -13.873 5.880 1.00 15.00 O ATOM 458 CB HIS A 32 -4.631 -14.355 4.152 1.00 15.00 C ATOM 459 CG HIS A 32 -4.707 -13.427 2.980 1.00 15.00 C ATOM 460 ND1 HIS A 32 -5.800 -12.627 2.721 1.00 15.00 N ATOM 461 CD2 HIS A 32 -3.817 -13.175 1.990 1.00 15.00 C ATOM 462 CE1 HIS A 32 -5.581 -11.926 1.623 1.00 15.00 C ATOM 463 NE2 HIS A 32 -4.385 -12.239 1.161 1.00 15.00 N ATOM 0 H HIS A 32 -4.694 -11.677 5.317 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.183 -14.409 6.252 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -3.976 -15.189 3.901 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -5.621 -14.772 4.338 1.00 15.00 H new ATOM 0 HD1 HIS A 32 -6.646 -12.583 3.289 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -2.843 -13.626 1.874 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -6.264 -11.217 1.179 1.00 15.00 H new ATOM 472 N GLY A 33 -2.414 -12.272 4.443 1.00 15.00 N ATOM 473 CA GLY A 33 -1.052 -11.815 4.220 1.00 15.00 C ATOM 474 C GLY A 33 -0.981 -10.502 3.459 1.00 15.00 C ATOM 475 O GLY A 33 0.065 -10.155 2.911 1.00 15.00 O ATOM 0 H GLY A 33 -3.129 -11.763 3.924 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.552 -11.698 5.182 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.505 -12.579 3.667 1.00 15.00 H new ATOM 479 N GLY A 34 -2.083 -9.758 3.439 1.00 15.00 N ATOM 480 CA GLY A 34 -2.095 -8.479 2.756 1.00 15.00 C ATOM 481 C GLY A 34 -1.579 -7.383 3.660 1.00 15.00 C ATOM 482 O GLY A 34 -1.679 -7.496 4.881 1.00 15.00 O ATOM 0 H GLY A 34 -2.964 -10.018 3.882 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.480 -8.535 1.858 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.109 -8.243 2.434 1.00 15.00 H new ATOM 486 N ILE A 35 -1.016 -6.326 3.087 1.00 15.00 N ATOM 487 CA ILE A 35 -0.489 -5.247 3.911 1.00 15.00 C ATOM 488 C ILE A 35 -1.532 -4.179 4.177 1.00 15.00 C ATOM 489 O ILE A 35 -2.467 -3.988 3.400 1.00 15.00 O ATOM 490 CB ILE A 35 0.766 -4.590 3.293 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.848 -4.429 4.370 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.427 -3.248 2.646 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.920 -3.046 4.986 1.00 15.00 C ATOM 0 H ILE A 35 -0.914 -6.194 2.081 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.205 -5.711 4.855 1.00 15.00 H new ATOM 0 HB ILE A 35 1.148 -5.239 2.505 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.666 -5.156 5.161 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.817 -4.669 3.932 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.330 -2.811 2.220 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.309 -3.400 1.857 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.018 -2.574 3.399 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.711 -3.022 5.736 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.135 -2.312 4.209 1.00 15.00 H new ATOM 0 HD13 ILE A 35 0.966 -2.807 5.457 1.00 15.00 H new ATOM 505 N TYR A 36 -1.341 -3.473 5.277 1.00 15.00 N ATOM 506 CA TYR A 36 -2.237 -2.399 5.660 1.00 15.00 C ATOM 507 C TYR A 36 -1.439 -1.254 6.257 1.00 15.00 C ATOM 508 O TYR A 36 -0.923 -1.356 7.370 1.00 15.00 O ATOM 509 CB TYR A 36 -3.284 -2.895 6.657 1.00 15.00 C ATOM 510 CG TYR A 36 -4.231 -3.917 6.073 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.803 -5.208 5.795 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.552 -3.589 5.797 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.663 -6.143 5.257 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.419 -4.519 5.260 1.00 15.00 C ATOM 515 CZ TYR A 36 -5.971 -5.795 4.991 1.00 15.00 C ATOM 516 OH TYR A 36 -6.831 -6.726 4.455 1.00 15.00 O ATOM 0 H TYR A 36 -0.568 -3.626 5.924 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.759 -2.045 4.771 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.777 -3.330 7.518 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.859 -2.044 7.022 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.780 -5.485 6.003 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.906 -2.590 6.006 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.314 -7.143 5.045 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.444 -4.249 5.051 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.715 -6.321 4.329 1.00 15.00 H new ATOM 526 N VAL A 37 -1.322 -0.172 5.503 1.00 15.00 N ATOM 527 CA VAL A 37 -0.558 0.983 5.961 1.00 15.00 C ATOM 528 C VAL A 37 -1.060 1.479 7.311 1.00 15.00 C ATOM 529 O VAL A 37 -2.239 1.356 7.635 1.00 15.00 O ATOM 530 CB VAL A 37 -0.563 2.160 4.939 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.729 1.673 3.514 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.628 3.195 5.250 1.00 15.00 C ATOM 0 H VAL A 37 -1.741 -0.067 4.579 1.00 15.00 H new ATOM 0 HA VAL A 37 0.470 0.636 6.061 1.00 15.00 H new ATOM 0 HB VAL A 37 0.413 2.636 5.036 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.727 2.526 2.835 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.094 1.005 3.260 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.674 1.137 3.420 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.588 3.993 4.508 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.611 2.725 5.224 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.451 3.612 6.241 1.00 15.00 H new ATOM 542 N LYS A 38 -0.158 2.065 8.082 1.00 15.00 N ATOM 543 CA LYS A 38 -0.510 2.613 9.378 1.00 15.00 C ATOM 544 C LYS A 38 -1.103 3.999 9.169 1.00 15.00 C ATOM 545 O LYS A 38 -2.156 4.329 9.714 1.00 15.00 O ATOM 546 CB LYS A 38 0.722 2.642 10.301 1.00 15.00 C ATOM 547 CG LYS A 38 1.268 4.027 10.628 1.00 15.00 C ATOM 548 CD LYS A 38 1.775 4.089 12.058 1.00 15.00 C ATOM 549 CE LYS A 38 0.875 4.950 12.930 1.00 15.00 C ATOM 550 NZ LYS A 38 1.245 4.862 14.370 1.00 15.00 N ATOM 0 H LYS A 38 0.825 2.172 7.830 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.253 1.985 9.869 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.465 2.142 11.235 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.516 2.059 9.835 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.077 4.274 9.941 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.487 4.773 10.483 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.828 3.082 12.471 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.788 4.492 12.069 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.937 5.988 12.602 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.161 4.637 12.802 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.607 5.463 14.930 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 1.161 3.876 14.690 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.225 5.185 14.497 1.00 15.00 H new ATOM 564 N ALA A 39 -0.419 4.794 8.350 1.00 15.00 N ATOM 565 CA ALA A 39 -0.867 6.138 8.021 1.00 15.00 C ATOM 566 C ALA A 39 0.006 6.730 6.922 1.00 15.00 C ATOM 567 O ALA A 39 1.010 6.133 6.542 1.00 15.00 O ATOM 568 CB ALA A 39 -0.868 7.020 9.254 1.00 15.00 C ATOM 0 H ALA A 39 0.456 4.524 7.900 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.891 6.084 7.651 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.206 8.021 8.985 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.539 6.599 10.002 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.141 7.076 9.662 1.00 15.00 H new ATOM 574 N VAL A 40 -0.369 7.903 6.423 1.00 15.00 N ATOM 575 CA VAL A 40 0.404 8.561 5.370 1.00 15.00 C ATOM 576 C VAL A 40 1.339 9.605 5.972 1.00 15.00 C ATOM 577 O VAL A 40 0.895 10.640 6.467 1.00 15.00 O ATOM 578 CB VAL A 40 -0.496 9.233 4.306 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.479 8.436 3.013 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.920 9.395 4.812 1.00 15.00 C ATOM 0 H VAL A 40 -1.197 8.416 6.726 1.00 15.00 H new ATOM 0 HA VAL A 40 0.983 7.782 4.873 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.095 10.227 4.108 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.118 8.924 2.277 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.541 8.384 2.631 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.848 7.428 3.202 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.528 9.870 4.042 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.335 8.416 5.049 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.919 10.016 5.708 1.00 15.00 H new ATOM 590 N ILE A 41 2.635 9.304 5.955 1.00 15.00 N ATOM 591 CA ILE A 41 3.645 10.190 6.528 1.00 15.00 C ATOM 592 C ILE A 41 3.998 11.365 5.615 1.00 15.00 C ATOM 593 O ILE A 41 4.626 11.188 4.568 1.00 15.00 O ATOM 594 CB ILE A 41 4.917 9.388 6.912 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.664 8.532 8.162 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.108 10.307 7.139 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.277 7.926 8.230 1.00 15.00 C ATOM 0 H ILE A 41 3.012 8.448 5.548 1.00 15.00 H new ATOM 0 HA ILE A 41 3.209 10.621 7.429 1.00 15.00 H new ATOM 0 HB ILE A 41 5.152 8.730 6.076 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.401 7.729 8.194 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.823 9.147 9.048 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.981 9.712 7.406 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.315 10.866 6.227 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.882 11.003 7.947 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.181 7.337 9.142 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.532 8.722 8.232 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.118 7.282 7.365 1.00 15.00 H new ATOM 609 N PRO A 42 3.598 12.595 6.023 1.00 15.00 N ATOM 610 CA PRO A 42 3.865 13.821 5.260 1.00 15.00 C ATOM 611 C PRO A 42 5.350 14.133 5.150 1.00 15.00 C ATOM 612 O PRO A 42 5.834 15.131 5.683 1.00 15.00 O ATOM 613 CB PRO A 42 3.146 14.922 6.055 1.00 15.00 C ATOM 614 CG PRO A 42 2.208 14.204 6.962 1.00 15.00 C ATOM 615 CD PRO A 42 2.859 12.887 7.263 1.00 15.00 C ATOM 0 HA PRO A 42 3.517 13.729 4.231 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.856 15.525 6.621 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.609 15.600 5.391 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.035 14.773 7.876 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.237 14.061 6.487 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.524 12.952 8.124 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.123 12.114 7.487 1.00 15.00 H new ATOM 623 N GLN A 43 6.060 13.275 4.439 1.00 15.00 N ATOM 624 CA GLN A 43 7.486 13.444 4.228 1.00 15.00 C ATOM 625 C GLN A 43 7.862 12.877 2.871 1.00 15.00 C ATOM 626 O GLN A 43 8.470 13.557 2.044 1.00 15.00 O ATOM 627 CB GLN A 43 8.280 12.744 5.333 1.00 15.00 C ATOM 628 CG GLN A 43 8.723 13.677 6.448 1.00 15.00 C ATOM 629 CD GLN A 43 9.287 12.931 7.641 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.279 12.211 7.526 1.00 15.00 O ATOM 631 NE2 GLN A 43 8.655 13.100 8.797 1.00 15.00 N ATOM 0 H GLN A 43 5.667 12.446 3.994 1.00 15.00 H new ATOM 0 HA GLN A 43 7.728 14.506 4.258 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.670 11.947 5.758 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.159 12.273 4.894 1.00 15.00 H new ATOM 0 HG2 GLN A 43 9.477 14.364 6.064 1.00 15.00 H new ATOM 0 HG3 GLN A 43 7.875 14.282 6.770 1.00 15.00 H new ATOM 0 HE21 GLN A 43 7.836 13.706 8.847 1.00 15.00 H new ATOM 0 HE22 GLN A 43 8.988 12.623 9.635 1.00 15.00 H new ATOM 640 N GLY A 44 7.475 11.628 2.644 1.00 15.00 N ATOM 641 CA GLY A 44 7.758 10.988 1.379 1.00 15.00 C ATOM 642 C GLY A 44 6.674 11.237 0.348 1.00 15.00 C ATOM 643 O GLY A 44 5.517 11.513 0.695 1.00 15.00 O ATOM 0 H GLY A 44 6.970 11.049 3.315 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.711 11.353 0.996 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.867 9.915 1.535 1.00 15.00 H new ATOM 647 N ALA A 45 7.060 11.127 -0.919 1.00 15.00 N ATOM 648 CA ALA A 45 6.159 11.337 -2.055 1.00 15.00 C ATOM 649 C ALA A 45 4.781 10.704 -1.863 1.00 15.00 C ATOM 650 O ALA A 45 3.842 11.036 -2.585 1.00 15.00 O ATOM 651 CB ALA A 45 6.797 10.795 -3.323 1.00 15.00 C ATOM 0 H ALA A 45 8.013 10.888 -1.192 1.00 15.00 H new ATOM 0 HA ALA A 45 6.002 12.413 -2.133 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.124 10.953 -4.165 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.737 11.314 -3.508 1.00 15.00 H new ATOM 0 HB3 ALA A 45 6.988 9.728 -3.207 1.00 15.00 H new ATOM 657 N ALA A 46 4.654 9.789 -0.910 1.00 15.00 N ATOM 658 CA ALA A 46 3.381 9.128 -0.674 1.00 15.00 C ATOM 659 C ALA A 46 2.370 10.075 -0.036 1.00 15.00 C ATOM 660 O ALA A 46 1.404 10.480 -0.687 1.00 15.00 O ATOM 661 CB ALA A 46 3.581 7.899 0.193 1.00 15.00 C ATOM 0 H ALA A 46 5.411 9.491 -0.294 1.00 15.00 H new ATOM 0 HA ALA A 46 2.979 8.818 -1.639 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.620 7.413 0.362 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.255 7.205 -0.309 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.012 8.195 1.150 1.00 15.00 H new ATOM 667 N GLU A 47 2.588 10.437 1.231 1.00 15.00 N ATOM 668 CA GLU A 47 1.671 11.353 1.910 1.00 15.00 C ATOM 669 C GLU A 47 1.585 12.668 1.146 1.00 15.00 C ATOM 670 O GLU A 47 0.522 13.283 1.062 1.00 15.00 O ATOM 671 CB GLU A 47 2.057 11.573 3.389 1.00 15.00 C ATOM 672 CG GLU A 47 1.062 12.433 4.166 1.00 15.00 C ATOM 673 CD GLU A 47 1.027 13.886 3.719 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.000 14.343 3.084 1.00 15.00 O ATOM 675 OE2 GLU A 47 0.021 14.567 4.007 1.00 15.00 O ATOM 0 H GLU A 47 3.374 10.117 1.797 1.00 15.00 H new ATOM 0 HA GLU A 47 0.682 10.895 1.920 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.145 10.604 3.880 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.040 12.043 3.432 1.00 15.00 H new ATOM 0 HG2 GLU A 47 0.065 12.005 4.059 1.00 15.00 H new ATOM 0 HG3 GLU A 47 1.313 12.395 5.226 1.00 15.00 H new ATOM 682 N SER A 48 2.715 13.087 0.579 1.00 15.00 N ATOM 683 CA SER A 48 2.770 14.324 -0.193 1.00 15.00 C ATOM 684 C SER A 48 1.769 14.273 -1.339 1.00 15.00 C ATOM 685 O SER A 48 0.782 15.009 -1.348 1.00 15.00 O ATOM 686 CB SER A 48 4.181 14.550 -0.738 1.00 15.00 C ATOM 687 OG SER A 48 5.128 14.631 0.313 1.00 15.00 O ATOM 0 H SER A 48 3.603 12.588 0.640 1.00 15.00 H new ATOM 0 HA SER A 48 2.512 15.155 0.464 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.449 13.735 -1.411 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.205 15.469 -1.324 1.00 15.00 H new ATOM 0 HG SER A 48 5.388 13.727 0.589 1.00 15.00 H new ATOM 693 N ASP A 49 2.019 13.386 -2.298 1.00 15.00 N ATOM 694 CA ASP A 49 1.124 13.227 -3.436 1.00 15.00 C ATOM 695 C ASP A 49 -0.259 12.812 -2.953 1.00 15.00 C ATOM 696 O ASP A 49 -1.277 13.250 -3.488 1.00 15.00 O ATOM 697 CB ASP A 49 1.674 12.186 -4.410 1.00 15.00 C ATOM 698 CG ASP A 49 2.773 12.745 -5.291 1.00 15.00 C ATOM 699 OD1 ASP A 49 3.762 13.276 -4.743 1.00 15.00 O ATOM 700 OD2 ASP A 49 2.646 12.651 -6.530 1.00 15.00 O ATOM 0 H ASP A 49 2.831 12.769 -2.309 1.00 15.00 H new ATOM 0 HA ASP A 49 1.049 14.181 -3.957 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.059 11.335 -3.849 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.863 11.814 -5.037 1.00 15.00 H new ATOM 705 N GLY A 50 -0.279 11.968 -1.927 1.00 15.00 N ATOM 706 CA GLY A 50 -1.532 11.503 -1.367 1.00 15.00 C ATOM 707 C GLY A 50 -2.134 10.363 -2.161 1.00 15.00 C ATOM 708 O GLY A 50 -3.353 10.287 -2.319 1.00 15.00 O ATOM 0 H GLY A 50 0.555 11.597 -1.472 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.369 11.179 -0.339 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.240 12.331 -1.332 1.00 15.00 H new ATOM 712 N ARG A 51 -1.284 9.473 -2.664 1.00 15.00 N ATOM 713 CA ARG A 51 -1.758 8.334 -3.446 1.00 15.00 C ATOM 714 C ARG A 51 -2.160 7.184 -2.530 1.00 15.00 C ATOM 715 O ARG A 51 -3.250 6.627 -2.655 1.00 15.00 O ATOM 716 CB ARG A 51 -0.687 7.869 -4.437 1.00 15.00 C ATOM 717 CG ARG A 51 -0.652 8.682 -5.720 1.00 15.00 C ATOM 718 CD ARG A 51 -1.747 8.250 -6.682 1.00 15.00 C ATOM 719 NE ARG A 51 -2.050 9.285 -7.668 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.126 9.269 -8.451 1.00 15.00 C ATOM 721 NH1 ARG A 51 -4.002 8.276 -8.366 1.00 15.00 N ATOM 722 NH2 ARG A 51 -3.327 10.249 -9.322 1.00 15.00 N ATOM 0 H ARG A 51 -0.272 9.516 -2.546 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.634 8.655 -4.010 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.289 7.923 -3.956 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.863 6.822 -4.685 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.769 9.740 -5.485 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.321 8.567 -6.199 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.440 7.339 -7.196 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.649 8.010 -6.120 1.00 15.00 H new ATOM 0 HE ARG A 51 -1.399 10.065 -7.762 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -3.852 7.520 -7.698 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -4.825 8.269 -8.969 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -2.657 11.015 -9.392 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.152 10.237 -9.922 1.00 15.00 H new ATOM 736 N ILE A 52 -1.274 6.841 -1.603 1.00 15.00 N ATOM 737 CA ILE A 52 -1.528 5.769 -0.655 1.00 15.00 C ATOM 738 C ILE A 52 -2.397 6.274 0.499 1.00 15.00 C ATOM 739 O ILE A 52 -2.448 7.477 0.758 1.00 15.00 O ATOM 740 CB ILE A 52 -0.198 5.209 -0.116 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.430 3.905 0.638 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.492 6.232 0.772 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.894 2.773 -0.249 1.00 15.00 C ATOM 0 H ILE A 52 -0.368 7.295 -1.489 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.062 4.969 -1.168 1.00 15.00 H new ATOM 0 HB ILE A 52 0.455 4.999 -0.963 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.495 3.612 1.135 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.172 4.072 1.419 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.430 5.818 1.143 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.697 7.135 0.196 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.155 6.478 1.614 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.040 1.876 0.352 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -1.835 3.047 -0.726 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.142 2.579 -1.014 1.00 15.00 H new ATOM 755 N HIS A 53 -3.094 5.366 1.180 1.00 15.00 N ATOM 756 CA HIS A 53 -3.967 5.762 2.284 1.00 15.00 C ATOM 757 C HIS A 53 -3.896 4.806 3.458 1.00 15.00 C ATOM 758 O HIS A 53 -3.493 3.652 3.329 1.00 15.00 O ATOM 759 CB HIS A 53 -5.412 5.886 1.801 1.00 15.00 C ATOM 760 CG HIS A 53 -5.619 6.998 0.821 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.554 6.820 -0.545 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.891 8.311 1.014 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.776 7.974 -1.149 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.984 8.894 -0.225 1.00 15.00 N ATOM 0 H HIS A 53 -3.073 4.364 0.991 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.611 6.731 2.634 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.715 4.945 1.341 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.062 6.044 2.661 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.012 8.807 1.966 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.786 8.137 -2.217 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.182 9.879 -0.403 1.00 15.00 H new ATOM 773 N LYS A 54 -4.284 5.334 4.612 1.00 15.00 N ATOM 774 CA LYS A 54 -4.272 4.599 5.864 1.00 15.00 C ATOM 775 C LYS A 54 -4.831 3.182 5.716 1.00 15.00 C ATOM 776 O LYS A 54 -5.871 2.976 5.091 1.00 15.00 O ATOM 777 CB LYS A 54 -5.075 5.364 6.920 1.00 15.00 C ATOM 778 CG LYS A 54 -4.283 5.679 8.175 1.00 15.00 C ATOM 779 CD LYS A 54 -5.121 5.487 9.429 1.00 15.00 C ATOM 780 CE LYS A 54 -5.215 4.020 9.817 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.364 3.758 10.727 1.00 15.00 N ATOM 0 H LYS A 54 -4.618 6.293 4.703 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.232 4.506 6.176 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.436 6.296 6.485 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.953 4.778 7.192 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.404 5.036 8.222 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.924 6.707 8.131 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.684 6.054 10.251 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.122 5.886 9.264 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.319 3.413 8.918 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.289 3.713 10.304 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.393 2.747 10.968 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -6.253 4.318 11.596 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -7.250 4.026 10.253 1.00 15.00 H new ATOM 795 N GLY A 55 -4.133 2.210 6.306 1.00 15.00 N ATOM 796 CA GLY A 55 -4.571 0.824 6.242 1.00 15.00 C ATOM 797 C GLY A 55 -4.900 0.375 4.836 1.00 15.00 C ATOM 798 O GLY A 55 -5.804 -0.436 4.634 1.00 15.00 O ATOM 0 H GLY A 55 -3.270 2.360 6.828 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.790 0.182 6.649 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.450 0.697 6.874 1.00 15.00 H new ATOM 802 N ASP A 56 -4.166 0.892 3.859 1.00 15.00 N ATOM 803 CA ASP A 56 -4.396 0.520 2.472 1.00 15.00 C ATOM 804 C ASP A 56 -4.070 -0.952 2.255 1.00 15.00 C ATOM 805 O ASP A 56 -3.004 -1.424 2.653 1.00 15.00 O ATOM 806 CB ASP A 56 -3.559 1.389 1.532 1.00 15.00 C ATOM 807 CG ASP A 56 -4.400 2.364 0.733 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.644 2.289 0.819 1.00 15.00 O ATOM 809 OD2 ASP A 56 -3.813 3.202 0.018 1.00 15.00 O ATOM 0 H ASP A 56 -3.413 1.565 4.001 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.450 0.683 2.247 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.823 1.943 2.115 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.005 0.747 0.847 1.00 15.00 H new ATOM 814 N ARG A 57 -4.994 -1.669 1.622 1.00 15.00 N ATOM 815 CA ARG A 57 -4.809 -3.087 1.345 1.00 15.00 C ATOM 816 C ARG A 57 -4.055 -3.279 0.036 1.00 15.00 C ATOM 817 O ARG A 57 -4.662 -3.432 -1.024 1.00 15.00 O ATOM 818 CB ARG A 57 -6.164 -3.795 1.277 1.00 15.00 C ATOM 819 CG ARG A 57 -6.074 -5.303 1.438 1.00 15.00 C ATOM 820 CD ARG A 57 -7.436 -5.961 1.280 1.00 15.00 C ATOM 821 NE ARG A 57 -7.386 -7.397 1.545 1.00 15.00 N ATOM 822 CZ ARG A 57 -8.463 -8.177 1.607 1.00 15.00 C ATOM 823 NH1 ARG A 57 -9.673 -7.664 1.426 1.00 15.00 N ATOM 824 NH2 ARG A 57 -8.329 -9.473 1.853 1.00 15.00 N ATOM 0 H ARG A 57 -5.881 -1.288 1.291 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.223 -3.523 2.154 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.813 -3.394 2.055 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.635 -3.568 0.321 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.384 -5.709 0.698 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -5.665 -5.542 2.420 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.146 -5.492 1.961 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -7.805 -5.792 0.268 1.00 15.00 H new ATOM 0 HE ARG A 57 -6.473 -7.827 1.691 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.782 -6.667 1.238 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -10.495 -8.266 1.475 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -7.401 -9.872 1.995 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -9.154 -10.071 1.901 1.00 15.00 H new ATOM 838 N VAL A 58 -2.728 -3.261 0.113 1.00 15.00 N ATOM 839 CA VAL A 58 -1.900 -3.426 -1.074 1.00 15.00 C ATOM 840 C VAL A 58 -1.798 -4.897 -1.468 1.00 15.00 C ATOM 841 O VAL A 58 -1.286 -5.727 -0.709 1.00 15.00 O ATOM 842 CB VAL A 58 -0.487 -2.819 -0.877 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.560 -1.548 -0.042 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.468 -3.821 -0.241 1.00 15.00 C ATOM 0 H VAL A 58 -2.206 -3.134 0.980 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.386 -2.882 -1.884 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.096 -2.567 -1.863 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.442 -1.138 0.085 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.190 -0.816 -0.547 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -0.984 -1.779 0.935 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.449 -3.361 -0.118 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.084 -4.122 0.733 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.556 -4.698 -0.883 1.00 15.00 H new ATOM 854 N LEU A 59 -2.314 -5.211 -2.654 1.00 15.00 N ATOM 855 CA LEU A 59 -2.302 -6.581 -3.157 1.00 15.00 C ATOM 856 C LEU A 59 -1.291 -6.774 -4.286 1.00 15.00 C ATOM 857 O LEU A 59 -0.921 -7.903 -4.602 1.00 15.00 O ATOM 858 CB LEU A 59 -3.697 -6.981 -3.641 1.00 15.00 C ATOM 859 CG LEU A 59 -4.793 -6.959 -2.572 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.030 -7.690 -3.067 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.290 -7.578 -1.275 1.00 15.00 C ATOM 0 H LEU A 59 -2.745 -4.535 -3.284 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.001 -7.223 -2.329 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.988 -6.311 -4.450 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.643 -7.985 -4.062 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.060 -5.921 -2.374 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.800 -7.666 -2.296 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.404 -7.204 -3.968 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.775 -8.725 -3.292 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.083 -7.553 -0.528 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.994 -8.611 -1.456 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.431 -7.013 -0.911 1.00 15.00 H new ATOM 873 N ALA A 60 -0.861 -5.681 -4.912 1.00 15.00 N ATOM 874 CA ALA A 60 0.087 -5.776 -6.018 1.00 15.00 C ATOM 875 C ALA A 60 1.016 -4.567 -6.096 1.00 15.00 C ATOM 876 O ALA A 60 0.636 -3.447 -5.755 1.00 15.00 O ATOM 877 CB ALA A 60 -0.664 -5.943 -7.330 1.00 15.00 C ATOM 0 H ALA A 60 -1.149 -4.731 -4.676 1.00 15.00 H new ATOM 0 HA ALA A 60 0.712 -6.650 -5.835 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.049 -6.013 -8.151 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.265 -6.852 -7.292 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.316 -5.084 -7.488 1.00 15.00 H new ATOM 883 N VAL A 61 2.233 -4.814 -6.573 1.00 15.00 N ATOM 884 CA VAL A 61 3.241 -3.773 -6.739 1.00 15.00 C ATOM 885 C VAL A 61 3.975 -3.994 -8.050 1.00 15.00 C ATOM 886 O VAL A 61 4.819 -4.883 -8.153 1.00 15.00 O ATOM 887 CB VAL A 61 4.263 -3.766 -5.588 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.196 -2.572 -5.711 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.556 -3.767 -4.244 1.00 15.00 C ATOM 0 H VAL A 61 2.547 -5.742 -6.855 1.00 15.00 H new ATOM 0 HA VAL A 61 2.728 -2.811 -6.737 1.00 15.00 H new ATOM 0 HB VAL A 61 4.863 -4.674 -5.654 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.912 -2.583 -4.889 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.731 -2.625 -6.659 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.615 -1.651 -5.673 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.296 -3.762 -3.444 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.928 -2.880 -4.163 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.936 -4.660 -4.160 1.00 15.00 H new ATOM 899 N ASN A 62 3.623 -3.211 -9.063 1.00 15.00 N ATOM 900 CA ASN A 62 4.229 -3.365 -10.375 1.00 15.00 C ATOM 901 C ASN A 62 3.855 -4.729 -10.959 1.00 15.00 C ATOM 902 O ASN A 62 4.460 -5.192 -11.926 1.00 15.00 O ATOM 903 CB ASN A 62 5.751 -3.219 -10.292 1.00 15.00 C ATOM 904 CG ASN A 62 6.199 -1.777 -10.438 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.140 -1.480 -11.174 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.525 -0.873 -9.736 1.00 15.00 N ATOM 0 H ASN A 62 2.926 -2.469 -9.000 1.00 15.00 H new ATOM 0 HA ASN A 62 3.851 -2.580 -11.030 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.100 -3.611 -9.337 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.215 -3.822 -11.072 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.781 0.113 -9.795 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.751 -1.164 -9.138 1.00 15.00 H new ATOM 913 N GLY A 63 2.843 -5.363 -10.358 1.00 15.00 N ATOM 914 CA GLY A 63 2.386 -6.661 -10.818 1.00 15.00 C ATOM 915 C GLY A 63 2.773 -7.801 -9.891 1.00 15.00 C ATOM 916 O GLY A 63 2.533 -8.966 -10.208 1.00 15.00 O ATOM 0 H GLY A 63 2.332 -4.994 -9.556 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.301 -6.640 -10.922 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.798 -6.853 -11.809 1.00 15.00 H new ATOM 920 N VAL A 64 3.361 -7.477 -8.741 1.00 15.00 N ATOM 921 CA VAL A 64 3.758 -8.504 -7.782 1.00 15.00 C ATOM 922 C VAL A 64 2.667 -8.730 -6.735 1.00 15.00 C ATOM 923 O VAL A 64 2.454 -7.900 -5.851 1.00 15.00 O ATOM 924 CB VAL A 64 5.093 -8.152 -7.084 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.905 -7.058 -6.046 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.707 -9.392 -6.454 1.00 15.00 C ATOM 0 H VAL A 64 3.571 -6.521 -8.453 1.00 15.00 H new ATOM 0 HA VAL A 64 3.902 -9.426 -8.346 1.00 15.00 H new ATOM 0 HB VAL A 64 5.777 -7.772 -7.843 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.862 -6.835 -5.575 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.521 -6.160 -6.529 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.197 -7.393 -5.288 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.645 -9.126 -5.967 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.019 -9.803 -5.715 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.897 -10.137 -7.227 1.00 15.00 H new ATOM 936 N SER A 65 1.974 -9.857 -6.844 1.00 15.00 N ATOM 937 CA SER A 65 0.903 -10.191 -5.909 1.00 15.00 C ATOM 938 C SER A 65 1.416 -10.205 -4.473 1.00 15.00 C ATOM 939 O SER A 65 2.474 -10.766 -4.186 1.00 15.00 O ATOM 940 CB SER A 65 0.297 -11.551 -6.260 1.00 15.00 C ATOM 941 OG SER A 65 -1.110 -11.542 -6.091 1.00 15.00 O ATOM 0 H SER A 65 2.133 -10.556 -7.570 1.00 15.00 H new ATOM 0 HA SER A 65 0.132 -9.425 -5.991 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.541 -11.806 -7.291 1.00 15.00 H new ATOM 0 HB3 SER A 65 0.737 -12.323 -5.628 1.00 15.00 H new ATOM 0 HG SER A 65 -1.473 -12.422 -6.323 1.00 15.00 H new ATOM 947 N LEU A 66 0.659 -9.582 -3.578 1.00 15.00 N ATOM 948 CA LEU A 66 1.031 -9.518 -2.171 1.00 15.00 C ATOM 949 C LEU A 66 0.351 -10.628 -1.374 1.00 15.00 C ATOM 950 O LEU A 66 0.824 -11.014 -0.305 1.00 15.00 O ATOM 951 CB LEU A 66 0.663 -8.153 -1.586 1.00 15.00 C ATOM 952 CG LEU A 66 1.716 -7.542 -0.660 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.076 -8.515 0.452 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.955 -7.150 -1.451 1.00 15.00 C ATOM 0 H LEU A 66 -0.218 -9.113 -3.803 1.00 15.00 H new ATOM 0 HA LEU A 66 2.110 -9.657 -2.101 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.477 -7.461 -2.407 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.272 -8.251 -1.034 1.00 15.00 H new ATOM 0 HG LEU A 66 1.299 -6.643 -0.207 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.826 -8.064 1.101 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.185 -8.748 1.035 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.475 -9.432 0.018 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.695 -6.717 -0.778 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.375 -8.034 -1.931 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.684 -6.418 -2.212 1.00 15.00 H new ATOM 966 N GLU A 67 -0.761 -11.139 -1.900 1.00 15.00 N ATOM 967 CA GLU A 67 -1.505 -12.207 -1.236 1.00 15.00 C ATOM 968 C GLU A 67 -0.568 -13.311 -0.755 1.00 15.00 C ATOM 969 O GLU A 67 -0.137 -14.159 -1.536 1.00 15.00 O ATOM 970 CB GLU A 67 -2.553 -12.792 -2.185 1.00 15.00 C ATOM 971 CG GLU A 67 -3.745 -13.407 -1.471 1.00 15.00 C ATOM 972 CD GLU A 67 -4.244 -14.668 -2.148 1.00 15.00 C ATOM 973 OE1 GLU A 67 -3.967 -14.845 -3.353 1.00 15.00 O ATOM 974 OE2 GLU A 67 -4.913 -15.479 -1.473 1.00 15.00 O ATOM 0 H GLU A 67 -1.166 -10.831 -2.784 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.006 -11.778 -0.368 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.906 -12.006 -2.852 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.082 -13.552 -2.809 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.468 -13.637 -0.442 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.554 -12.678 -1.428 1.00 15.00 H new ATOM 981 N GLY A 68 -0.254 -13.290 0.536 1.00 15.00 N ATOM 982 CA GLY A 68 0.634 -14.288 1.101 1.00 15.00 C ATOM 983 C GLY A 68 1.989 -13.711 1.463 1.00 15.00 C ATOM 984 O GLY A 68 3.009 -14.098 0.892 1.00 15.00 O ATOM 0 H GLY A 68 -0.599 -12.599 1.202 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.175 -14.718 1.991 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.766 -15.100 0.386 1.00 15.00 H new ATOM 988 N ALA A 69 1.997 -12.780 2.410 1.00 15.00 N ATOM 989 CA ALA A 69 3.231 -12.143 2.847 1.00 15.00 C ATOM 990 C ALA A 69 2.987 -11.242 4.055 1.00 15.00 C ATOM 991 O ALA A 69 1.844 -10.939 4.395 1.00 15.00 O ATOM 992 CB ALA A 69 3.839 -11.347 1.701 1.00 15.00 C ATOM 0 H ALA A 69 1.160 -12.450 2.890 1.00 15.00 H new ATOM 0 HA ALA A 69 3.932 -12.922 3.149 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.762 -10.874 2.036 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.056 -12.016 0.868 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.135 -10.581 1.377 1.00 15.00 H new ATOM 998 N THR A 70 4.069 -10.820 4.701 1.00 15.00 N ATOM 999 CA THR A 70 3.974 -9.956 5.873 1.00 15.00 C ATOM 1000 C THR A 70 4.073 -8.484 5.480 1.00 15.00 C ATOM 1001 O THR A 70 4.123 -8.147 4.298 1.00 15.00 O ATOM 1002 CB THR A 70 5.078 -10.301 6.875 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.329 -9.806 6.433 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.230 -11.789 7.110 1.00 15.00 C ATOM 0 H THR A 70 5.023 -11.062 4.433 1.00 15.00 H new ATOM 0 HA THR A 70 3.002 -10.123 6.336 1.00 15.00 H new ATOM 0 HB THR A 70 4.776 -9.831 7.811 1.00 15.00 H new ATOM 0 HG1 THR A 70 7.021 -10.035 7.088 1.00 15.00 H new ATOM 0 HG21 THR A 70 6.029 -11.964 7.830 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.296 -12.193 7.500 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.475 -12.283 6.170 1.00 15.00 H new ATOM 1012 N HIS A 71 4.099 -7.615 6.485 1.00 15.00 N ATOM 1013 CA HIS A 71 4.192 -6.178 6.259 1.00 15.00 C ATOM 1014 C HIS A 71 5.496 -5.834 5.552 1.00 15.00 C ATOM 1015 O HIS A 71 5.494 -5.297 4.444 1.00 15.00 O ATOM 1016 CB HIS A 71 4.071 -5.437 7.602 1.00 15.00 C ATOM 1017 CG HIS A 71 5.076 -4.344 7.820 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.849 -4.252 8.958 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.425 -3.291 7.045 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.628 -3.190 8.875 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.392 -2.590 7.724 1.00 15.00 N ATOM 0 H HIS A 71 4.057 -7.883 7.468 1.00 15.00 H new ATOM 0 HA HIS A 71 3.374 -5.859 5.613 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.071 -5.009 7.674 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.166 -6.163 8.409 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.823 -4.904 9.742 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.019 -3.047 6.074 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.338 -2.867 9.622 1.00 15.00 H new ATOM 1030 N LYS A 72 6.606 -6.158 6.199 1.00 15.00 N ATOM 1031 CA LYS A 72 7.926 -5.899 5.637 1.00 15.00 C ATOM 1032 C LYS A 72 8.030 -6.475 4.232 1.00 15.00 C ATOM 1033 O LYS A 72 8.734 -5.937 3.382 1.00 15.00 O ATOM 1034 CB LYS A 72 9.001 -6.506 6.534 1.00 15.00 C ATOM 1035 CG LYS A 72 10.408 -6.040 6.199 1.00 15.00 C ATOM 1036 CD LYS A 72 11.312 -6.070 7.421 1.00 15.00 C ATOM 1037 CE LYS A 72 12.228 -7.283 7.407 1.00 15.00 C ATOM 1038 NZ LYS A 72 13.560 -6.967 6.821 1.00 15.00 N ATOM 0 H LYS A 72 6.620 -6.602 7.117 1.00 15.00 H new ATOM 0 HA LYS A 72 8.076 -4.821 5.580 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.781 -6.254 7.571 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.958 -7.592 6.454 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.827 -6.677 5.420 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.371 -5.027 5.798 1.00 15.00 H new ATOM 0 HD2 LYS A 72 11.912 -5.160 7.454 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.703 -6.083 8.325 1.00 15.00 H new ATOM 0 HE2 LYS A 72 12.357 -7.652 8.425 1.00 15.00 H new ATOM 0 HE3 LYS A 72 11.761 -8.084 6.835 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 14.154 -7.820 6.830 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 13.439 -6.639 5.841 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 14.018 -6.220 7.382 1.00 15.00 H new ATOM 1052 N GLN A 73 7.314 -7.568 3.989 1.00 15.00 N ATOM 1053 CA GLN A 73 7.325 -8.197 2.677 1.00 15.00 C ATOM 1054 C GLN A 73 6.839 -7.206 1.631 1.00 15.00 C ATOM 1055 O GLN A 73 7.512 -6.964 0.629 1.00 15.00 O ATOM 1056 CB GLN A 73 6.446 -9.447 2.671 1.00 15.00 C ATOM 1057 CG GLN A 73 6.999 -10.570 1.810 1.00 15.00 C ATOM 1058 CD GLN A 73 7.045 -11.898 2.540 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.160 -12.213 3.336 1.00 15.00 O ATOM 1060 NE2 GLN A 73 8.080 -12.686 2.272 1.00 15.00 N ATOM 0 H GLN A 73 6.724 -8.032 4.679 1.00 15.00 H new ATOM 0 HA GLN A 73 8.345 -8.498 2.440 1.00 15.00 H new ATOM 0 HB2 GLN A 73 6.331 -9.806 3.694 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.451 -9.181 2.313 1.00 15.00 H new ATOM 0 HG2 GLN A 73 6.385 -10.673 0.915 1.00 15.00 H new ATOM 0 HG3 GLN A 73 8.004 -10.307 1.478 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.791 -12.385 1.605 1.00 15.00 H new ATOM 0 HE22 GLN A 73 8.164 -13.592 2.733 1.00 15.00 H new ATOM 1069 N ALA A 74 5.678 -6.610 1.885 1.00 15.00 N ATOM 1070 CA ALA A 74 5.125 -5.619 0.976 1.00 15.00 C ATOM 1071 C ALA A 74 6.004 -4.381 0.972 1.00 15.00 C ATOM 1072 O ALA A 74 6.348 -3.860 -0.087 1.00 15.00 O ATOM 1073 CB ALA A 74 3.708 -5.256 1.365 1.00 15.00 C ATOM 0 H ALA A 74 5.106 -6.796 2.709 1.00 15.00 H new ATOM 0 HA ALA A 74 5.099 -6.045 -0.027 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.319 -4.513 0.669 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.082 -6.148 1.332 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.702 -4.845 2.375 1.00 15.00 H new ATOM 1079 N VAL A 75 6.387 -3.932 2.168 1.00 15.00 N ATOM 1080 CA VAL A 75 7.261 -2.771 2.313 1.00 15.00 C ATOM 1081 C VAL A 75 8.356 -2.838 1.262 1.00 15.00 C ATOM 1082 O VAL A 75 8.718 -1.837 0.645 1.00 15.00 O ATOM 1083 CB VAL A 75 7.875 -2.733 3.735 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.380 -2.975 3.717 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.557 -1.425 4.429 1.00 15.00 C ATOM 0 H VAL A 75 6.104 -4.357 3.051 1.00 15.00 H new ATOM 0 HA VAL A 75 6.681 -1.859 2.171 1.00 15.00 H new ATOM 0 HB VAL A 75 7.419 -3.547 4.299 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.766 -2.939 4.736 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.586 -3.954 3.285 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.865 -2.205 3.118 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.000 -1.425 5.425 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.966 -0.597 3.850 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.476 -1.311 4.512 1.00 15.00 H new ATOM 1095 N GLU A 76 8.849 -4.049 1.052 1.00 15.00 N ATOM 1096 CA GLU A 76 9.876 -4.294 0.061 1.00 15.00 C ATOM 1097 C GLU A 76 9.319 -4.072 -1.343 1.00 15.00 C ATOM 1098 O GLU A 76 9.944 -3.406 -2.162 1.00 15.00 O ATOM 1099 CB GLU A 76 10.421 -5.715 0.202 1.00 15.00 C ATOM 1100 CG GLU A 76 11.085 -5.978 1.545 1.00 15.00 C ATOM 1101 CD GLU A 76 11.153 -7.454 1.883 1.00 15.00 C ATOM 1102 OE1 GLU A 76 11.893 -8.188 1.194 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.466 -7.877 2.837 1.00 15.00 O ATOM 0 H GLU A 76 8.549 -4.881 1.561 1.00 15.00 H new ATOM 0 HA GLU A 76 10.694 -3.593 0.224 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.605 -6.424 0.064 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.142 -5.900 -0.594 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.094 -5.565 1.535 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.534 -5.455 2.327 1.00 15.00 H new ATOM 1110 N THR A 77 8.135 -4.627 -1.618 1.00 15.00 N ATOM 1111 CA THR A 77 7.515 -4.465 -2.931 1.00 15.00 C ATOM 1112 C THR A 77 7.168 -3.004 -3.202 1.00 15.00 C ATOM 1113 O THR A 77 7.539 -2.455 -4.239 1.00 15.00 O ATOM 1114 CB THR A 77 6.267 -5.336 -3.069 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.244 -4.900 -2.194 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.522 -6.800 -2.791 1.00 15.00 C ATOM 0 H THR A 77 7.595 -5.185 -0.957 1.00 15.00 H new ATOM 0 HA THR A 77 8.244 -4.790 -3.673 1.00 15.00 H new ATOM 0 HB THR A 77 5.961 -5.231 -4.110 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.646 -4.491 -1.399 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.594 -7.359 -2.907 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.265 -7.180 -3.493 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.892 -6.918 -1.772 1.00 15.00 H new ATOM 1124 N LEU A 78 6.455 -2.373 -2.266 1.00 15.00 N ATOM 1125 CA LEU A 78 6.070 -0.972 -2.425 1.00 15.00 C ATOM 1126 C LEU A 78 7.301 -0.127 -2.713 1.00 15.00 C ATOM 1127 O LEU A 78 7.330 0.655 -3.663 1.00 15.00 O ATOM 1128 CB LEU A 78 5.371 -0.440 -1.167 1.00 15.00 C ATOM 1129 CG LEU A 78 4.435 -1.422 -0.457 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.659 -0.713 0.643 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.483 -2.072 -1.448 1.00 15.00 C ATOM 0 H LEU A 78 6.136 -2.806 -1.399 1.00 15.00 H new ATOM 0 HA LEU A 78 5.373 -0.909 -3.260 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.135 -0.119 -0.459 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.797 0.446 -1.440 1.00 15.00 H new ATOM 0 HG LEU A 78 5.041 -2.207 -0.004 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.998 -1.424 1.138 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.356 -0.298 1.371 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.066 0.092 0.209 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.828 -2.766 -0.921 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.882 -1.303 -1.934 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.056 -2.614 -2.201 1.00 15.00 H new ATOM 1143 N ARG A 79 8.318 -0.307 -1.886 1.00 15.00 N ATOM 1144 CA ARG A 79 9.569 0.415 -2.035 1.00 15.00 C ATOM 1145 C ARG A 79 10.302 -0.041 -3.295 1.00 15.00 C ATOM 1146 O ARG A 79 10.542 0.750 -4.207 1.00 15.00 O ATOM 1147 CB ARG A 79 10.439 0.190 -0.798 1.00 15.00 C ATOM 1148 CG ARG A 79 11.362 1.357 -0.480 1.00 15.00 C ATOM 1149 CD ARG A 79 12.826 0.942 -0.510 1.00 15.00 C ATOM 1150 NE ARG A 79 13.463 1.087 0.797 1.00 15.00 N ATOM 1151 CZ ARG A 79 13.924 2.241 1.272 1.00 15.00 C ATOM 1152 NH1 ARG A 79 13.821 3.352 0.554 1.00 15.00 N ATOM 1153 NH2 ARG A 79 14.490 2.285 2.471 1.00 15.00 N ATOM 0 H ARG A 79 8.299 -0.954 -1.097 1.00 15.00 H new ATOM 0 HA ARG A 79 9.357 1.480 -2.133 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.794 0.004 0.060 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.040 -0.707 -0.945 1.00 15.00 H new ATOM 0 HG2 ARG A 79 11.196 2.159 -1.200 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.117 1.757 0.504 1.00 15.00 H new ATOM 0 HD2 ARG A 79 12.902 -0.095 -0.837 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.360 1.548 -1.243 1.00 15.00 H new ATOM 0 HE ARG A 79 13.560 0.255 1.379 1.00 15.00 H new ATOM 0 HH11 ARG A 79 13.386 3.325 -0.368 1.00 15.00 H new ATOM 0 HH12 ARG A 79 14.177 4.233 0.924 1.00 15.00 H new ATOM 0 HH21 ARG A 79 14.572 1.434 3.028 1.00 15.00 H new ATOM 0 HH22 ARG A 79 14.844 3.169 2.836 1.00 15.00 H new ATOM 1167 N ASN A 80 10.652 -1.323 -3.332 1.00 15.00 N ATOM 1168 CA ASN A 80 11.356 -1.908 -4.472 1.00 15.00 C ATOM 1169 C ASN A 80 10.489 -1.915 -5.732 1.00 15.00 C ATOM 1170 O ASN A 80 10.174 -2.977 -6.268 1.00 15.00 O ATOM 1171 CB ASN A 80 11.793 -3.337 -4.143 1.00 15.00 C ATOM 1172 CG ASN A 80 12.582 -3.421 -2.850 1.00 15.00 C ATOM 1173 OD1 ASN A 80 12.472 -2.552 -1.985 1.00 15.00 O ATOM 1174 ND2 ASN A 80 13.384 -4.470 -2.713 1.00 15.00 N ATOM 0 H ASN A 80 10.458 -1.983 -2.579 1.00 15.00 H new ATOM 0 HA ASN A 80 12.232 -1.290 -4.668 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.912 -3.975 -4.069 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.400 -3.725 -4.961 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.940 -4.580 -1.865 1.00 15.00 H new ATOM 0 HD22 ASN A 80 13.444 -5.166 -3.456 1.00 15.00 H new ATOM 1181 N THR A 81 10.113 -0.734 -6.210 1.00 15.00 N ATOM 1182 CA THR A 81 9.293 -0.634 -7.414 1.00 15.00 C ATOM 1183 C THR A 81 10.178 -0.499 -8.653 1.00 15.00 C ATOM 1184 O THR A 81 10.269 -1.422 -9.463 1.00 15.00 O ATOM 1185 CB THR A 81 8.328 0.550 -7.311 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.597 1.320 -6.152 1.00 15.00 O ATOM 1187 CG2 THR A 81 6.874 0.130 -7.255 1.00 15.00 C ATOM 0 H THR A 81 10.360 0.161 -5.787 1.00 15.00 H new ATOM 0 HA THR A 81 8.706 -1.547 -7.508 1.00 15.00 H new ATOM 0 HB THR A 81 8.489 1.134 -8.217 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.086 0.962 -5.396 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.242 1.015 -7.183 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.620 -0.424 -8.159 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.712 -0.504 -6.383 1.00 15.00 H new ATOM 1195 N GLY A 82 10.835 0.649 -8.789 1.00 15.00 N ATOM 1196 CA GLY A 82 11.710 0.875 -9.921 1.00 15.00 C ATOM 1197 C GLY A 82 11.322 2.093 -10.733 1.00 15.00 C ATOM 1198 O GLY A 82 11.529 3.227 -10.305 1.00 15.00 O ATOM 0 H GLY A 82 10.775 1.427 -8.133 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.733 0.993 -9.565 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.696 -0.004 -10.565 1.00 15.00 H new ATOM 1202 N GLN A 83 10.770 1.852 -11.911 1.00 15.00 N ATOM 1203 CA GLN A 83 10.356 2.932 -12.808 1.00 15.00 C ATOM 1204 C GLN A 83 9.222 3.761 -12.203 1.00 15.00 C ATOM 1205 O GLN A 83 9.458 4.811 -11.610 1.00 15.00 O ATOM 1206 CB GLN A 83 9.937 2.378 -14.178 1.00 15.00 C ATOM 1207 CG GLN A 83 9.286 1.003 -14.126 1.00 15.00 C ATOM 1208 CD GLN A 83 8.110 0.880 -15.075 1.00 15.00 C ATOM 1209 OE1 GLN A 83 6.958 0.805 -14.648 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.396 0.860 -16.372 1.00 15.00 N ATOM 0 H GLN A 83 10.595 0.915 -12.275 1.00 15.00 H new ATOM 0 HA GLN A 83 11.217 3.587 -12.945 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.243 3.078 -14.643 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.816 2.327 -14.820 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.028 0.244 -14.372 1.00 15.00 H new ATOM 0 HG3 GLN A 83 8.950 0.802 -13.109 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.366 0.925 -16.681 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.646 0.780 -17.058 1.00 15.00 H new ATOM 1219 N VAL A 84 7.992 3.284 -12.361 1.00 15.00 N ATOM 1220 CA VAL A 84 6.824 3.977 -11.833 1.00 15.00 C ATOM 1221 C VAL A 84 6.228 3.197 -10.663 1.00 15.00 C ATOM 1222 O VAL A 84 6.473 2.000 -10.512 1.00 15.00 O ATOM 1223 CB VAL A 84 5.753 4.175 -12.930 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.450 4.701 -12.342 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.270 5.119 -14.004 1.00 15.00 C ATOM 0 H VAL A 84 7.778 2.416 -12.853 1.00 15.00 H new ATOM 0 HA VAL A 84 7.146 4.958 -11.483 1.00 15.00 H new ATOM 0 HB VAL A 84 5.547 3.204 -13.381 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.717 4.830 -13.139 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.068 3.990 -11.609 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.631 5.660 -11.857 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.507 5.250 -14.771 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.505 6.085 -13.557 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.169 4.699 -14.455 1.00 15.00 H new ATOM 1235 N VAL A 85 5.446 3.878 -9.840 1.00 15.00 N ATOM 1236 CA VAL A 85 4.821 3.247 -8.689 1.00 15.00 C ATOM 1237 C VAL A 85 3.382 2.850 -9.007 1.00 15.00 C ATOM 1238 O VAL A 85 2.436 3.548 -8.642 1.00 15.00 O ATOM 1239 CB VAL A 85 4.854 4.191 -7.466 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.883 3.746 -6.383 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.268 4.290 -6.912 1.00 15.00 C ATOM 0 H VAL A 85 5.229 4.869 -9.948 1.00 15.00 H new ATOM 0 HA VAL A 85 5.385 2.346 -8.449 1.00 15.00 H new ATOM 0 HB VAL A 85 4.537 5.178 -7.801 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.937 4.436 -5.541 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.869 3.740 -6.783 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.147 2.743 -6.048 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.275 4.958 -6.051 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.609 3.301 -6.607 1.00 15.00 H new ATOM 0 HG23 VAL A 85 6.934 4.682 -7.681 1.00 15.00 H new ATOM 1251 N HIS A 86 3.229 1.720 -9.692 1.00 15.00 N ATOM 1252 CA HIS A 86 1.909 1.221 -10.061 1.00 15.00 C ATOM 1253 C HIS A 86 1.452 0.149 -9.080 1.00 15.00 C ATOM 1254 O HIS A 86 1.593 -1.047 -9.339 1.00 15.00 O ATOM 1255 CB HIS A 86 1.931 0.655 -11.482 1.00 15.00 C ATOM 1256 CG HIS A 86 0.608 0.738 -12.178 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.560 1.091 -11.534 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.270 0.513 -13.470 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.558 1.078 -12.399 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -1.081 0.731 -13.580 1.00 15.00 N ATOM 0 H HIS A 86 4.003 1.133 -10.002 1.00 15.00 H new ATOM 0 HA HIS A 86 1.205 2.052 -10.025 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.675 1.194 -12.068 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.248 -0.387 -11.445 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.938 0.217 -14.265 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.589 1.312 -12.178 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.628 0.640 -14.436 1.00 15.00 H new ATOM 1269 N LEU A 87 0.919 0.586 -7.946 1.00 15.00 N ATOM 1270 CA LEU A 87 0.457 -0.332 -6.916 1.00 15.00 C ATOM 1271 C LEU A 87 -1.058 -0.497 -6.945 1.00 15.00 C ATOM 1272 O LEU A 87 -1.799 0.456 -6.717 1.00 15.00 O ATOM 1273 CB LEU A 87 0.891 0.170 -5.539 1.00 15.00 C ATOM 1274 CG LEU A 87 1.859 -0.747 -4.800 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.035 0.044 -4.247 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.137 -1.489 -3.686 1.00 15.00 C ATOM 0 H LEU A 87 0.796 1.572 -7.717 1.00 15.00 H new ATOM 0 HA LEU A 87 0.906 -1.305 -7.115 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.357 1.149 -5.655 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.003 0.310 -4.923 1.00 15.00 H new ATOM 0 HG LEU A 87 2.248 -1.480 -5.507 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.713 -0.630 -3.724 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.566 0.528 -5.067 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.670 0.802 -3.554 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.840 -2.140 -3.167 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.720 -0.770 -2.981 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.333 -2.089 -4.111 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.510 -1.719 -7.196 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.937 -2.012 -7.222 1.00 15.00 C ATOM 1290 C LEU A 88 -3.369 -2.534 -5.857 1.00 15.00 C ATOM 1291 O LEU A 88 -3.124 -3.691 -5.517 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.257 -3.040 -8.311 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.534 -2.833 -9.649 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.470 -1.357 -10.014 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -1.135 -3.433 -9.601 1.00 15.00 C ATOM 0 H LEU A 88 -0.910 -2.522 -7.384 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.485 -1.098 -7.450 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -3.009 -4.032 -7.934 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.332 -3.028 -8.493 1.00 15.00 H new ATOM 0 HG LEU A 88 -3.105 -3.347 -10.422 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -1.953 -1.240 -10.966 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -3.481 -0.959 -10.099 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.930 -0.813 -9.239 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -0.639 -3.276 -10.559 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -0.559 -2.951 -8.811 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -1.204 -4.502 -9.399 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.987 -1.664 -5.069 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.426 -2.026 -3.726 1.00 15.00 C ATOM 1309 C LEU A 89 -5.932 -2.239 -3.663 1.00 15.00 C ATOM 1310 O LEU A 89 -6.599 -2.409 -4.683 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.036 -0.935 -2.723 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.004 0.065 -3.220 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.929 1.261 -2.288 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.653 -0.603 -3.339 1.00 15.00 C ATOM 0 H LEU A 89 -4.196 -0.702 -5.336 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.931 -2.962 -3.469 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.936 -0.391 -2.435 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.650 -1.413 -1.823 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.306 0.421 -4.205 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.185 1.966 -2.660 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.902 1.750 -2.244 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.645 0.927 -1.290 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.920 0.120 -3.696 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.346 -0.980 -2.363 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.718 -1.432 -4.044 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.455 -2.206 -2.442 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.879 -2.371 -2.203 1.00 15.00 C ATOM 1328 C GLU A 90 -8.338 -1.405 -1.115 1.00 15.00 C ATOM 1329 O GLU A 90 -7.610 -1.145 -0.157 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.191 -3.823 -1.813 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.299 -3.973 -0.780 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.964 -5.335 -0.831 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.377 -6.259 -1.432 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.071 -5.477 -0.271 1.00 15.00 O ATOM 0 H GLU A 90 -5.904 -2.065 -1.595 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.423 -2.144 -3.120 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.470 -4.375 -2.710 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.284 -4.285 -1.424 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -8.886 -3.811 0.216 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.050 -3.200 -0.943 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.543 -0.871 -1.270 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.087 0.071 -0.301 1.00 15.00 C ATOM 1343 C LYS A 91 -10.055 -0.515 1.107 1.00 15.00 C ATOM 1344 O LYS A 91 -10.882 -1.356 1.461 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.516 0.452 -0.683 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.997 1.732 -0.019 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.484 2.965 -0.746 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.997 4.024 0.229 1.00 15.00 C ATOM 1349 NZ LYS A 91 -12.116 4.860 0.746 1.00 15.00 N ATOM 0 H LYS A 91 -10.161 -1.074 -2.056 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.466 0.967 -0.310 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.576 0.568 -1.765 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.186 -0.363 -0.412 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.087 1.746 -0.001 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.661 1.754 1.018 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.670 2.683 -1.414 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -12.278 3.379 -1.368 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.488 3.542 1.064 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -10.265 4.663 -0.265 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -11.742 5.570 1.408 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -12.586 5.340 -0.048 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -12.802 4.254 1.240 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.090 -0.066 1.902 1.00 15.00 N ATOM 1364 CA GLY A 92 -8.958 -0.556 3.262 1.00 15.00 C ATOM 1365 C GLY A 92 -10.089 -0.097 4.160 1.00 15.00 C ATOM 1366 O GLY A 92 -11.087 0.446 3.686 1.00 15.00 O ATOM 0 H GLY A 92 -8.396 0.630 1.629 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -8.928 -1.646 3.250 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.009 -0.215 3.676 1.00 15.00 H new ATOM 1370 N GLN A 93 -9.932 -0.315 5.461 1.00 15.00 N ATOM 1371 CA GLN A 93 -10.947 0.078 6.432 1.00 15.00 C ATOM 1372 C GLN A 93 -10.812 1.554 6.793 1.00 15.00 C ATOM 1373 O GLN A 93 -9.762 1.996 7.259 1.00 15.00 O ATOM 1374 CB GLN A 93 -10.834 -0.780 7.693 1.00 15.00 C ATOM 1375 CG GLN A 93 -11.345 -2.200 7.511 1.00 15.00 C ATOM 1376 CD GLN A 93 -12.741 -2.393 8.070 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -13.082 -1.851 9.121 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -13.557 -3.170 7.368 1.00 15.00 N ATOM 0 H GLN A 93 -9.111 -0.762 5.868 1.00 15.00 H new ATOM 0 HA GLN A 93 -11.927 -0.079 5.981 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -9.790 -0.816 8.006 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -11.392 -0.302 8.498 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -11.345 -2.449 6.450 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -10.662 -2.894 8.001 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -13.232 -3.599 6.502 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -14.509 -3.337 7.695 1.00 15.00 H new ATOM 1387 N SER A 94 -11.882 2.311 6.574 1.00 15.00 N ATOM 1388 CA SER A 94 -11.884 3.737 6.877 1.00 15.00 C ATOM 1389 C SER A 94 -12.295 3.984 8.327 1.00 15.00 C ATOM 1390 O SER A 94 -12.886 3.116 8.969 1.00 15.00 O ATOM 1391 CB SER A 94 -12.831 4.478 5.932 1.00 15.00 C ATOM 1392 OG SER A 94 -12.285 4.565 4.627 1.00 15.00 O ATOM 0 H SER A 94 -12.759 1.961 6.188 1.00 15.00 H new ATOM 0 HA SER A 94 -10.872 4.116 6.736 1.00 15.00 H new ATOM 0 HB2 SER A 94 -13.790 3.961 5.895 1.00 15.00 H new ATOM 0 HB3 SER A 94 -13.023 5.480 6.317 1.00 15.00 H new ATOM 0 HG SER A 94 -12.910 5.041 4.042 1.00 15.00 H new ATOM 1398 N PRO A 95 -11.986 5.178 8.862 1.00 15.00 N ATOM 1399 CA PRO A 95 -12.326 5.535 10.243 1.00 15.00 C ATOM 1400 C PRO A 95 -13.791 5.261 10.569 1.00 15.00 C ATOM 1401 O PRO A 95 -14.129 4.901 11.697 1.00 15.00 O ATOM 1402 CB PRO A 95 -12.037 7.036 10.301 1.00 15.00 C ATOM 1403 CG PRO A 95 -10.993 7.258 9.263 1.00 15.00 C ATOM 1404 CD PRO A 95 -11.282 6.271 8.165 1.00 15.00 C ATOM 0 HA PRO A 95 -11.760 4.949 10.967 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -12.933 7.621 10.093 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -11.684 7.334 11.288 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -11.028 8.281 8.887 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -9.995 7.103 9.674 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -11.899 6.711 7.382 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -10.366 5.920 7.689 1.00 15.00 H new ATOM 1412 N THR A 96 -14.655 5.434 9.575 1.00 15.00 N ATOM 1413 CA THR A 96 -16.084 5.204 9.756 1.00 15.00 C ATOM 1414 C THR A 96 -16.480 3.821 9.251 1.00 15.00 C ATOM 1415 O THR A 96 -16.343 3.575 8.034 1.00 15.00 O ATOM 1416 CB THR A 96 -16.891 6.279 9.026 1.00 15.00 C ATOM 1417 OG1 THR A 96 -16.129 6.853 7.978 1.00 15.00 O ATOM 1418 CG2 THR A 96 -17.347 7.403 9.930 1.00 15.00 C ATOM 1419 OXT THR A 96 -16.923 2.994 10.076 1.00 15.00 O ATOM 0 H THR A 96 -14.391 5.733 8.636 1.00 15.00 H new ATOM 0 HA THR A 96 -16.304 5.257 10.822 1.00 15.00 H new ATOM 0 HB THR A 96 -17.771 5.766 8.639 1.00 15.00 H new ATOM 0 HG1 THR A 96 -16.663 7.537 7.522 1.00 15.00 H new ATOM 0 HG21 THR A 96 -17.913 8.130 9.349 1.00 15.00 H new ATOM 0 HG22 THR A 96 -17.979 7.000 10.721 1.00 15.00 H new ATOM 0 HG23 THR A 96 -16.478 7.890 10.372 1.00 15.00 H new TER 1427 THR A 96