USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 Single : A 8 ASN : amide:sc= -3.95! C(o=-4!,f=-11!) USER MOD Single : A 14 GLN : amide:sc= 0.00321 X(o=0.0032,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.0012) USER MOD Single : A 24 SER OG : rot -96:sc= 0.442 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.79 K(o=-1.8,f=-2.7!) USER MOD Single : A 31 SER OG : rot 88:sc= 0.16 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 74:sc= -0.35 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -175:sc= -8.27! (180deg=-8.73!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -136:sc= 0.491 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 150:sc= -0.331 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.0802 K(o=0.08,f=-3.4!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 3:sc= -0.21 USER MOD Single : A 90 CYS SG : rot 28:sc= -1.43 USER MOD Single : A 91 GLN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0428) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.286 USER MOD Single : A 99 LYS NZ :NH3+ -130:sc= 0.87 (180deg=0.00593) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 8 -8.835 -21.778 -15.337 1.00 0.00 N ATOM 69 CA ASN A 8 -7.378 -21.785 -15.399 1.00 0.00 C ATOM 70 C ASN A 8 -6.829 -23.181 -15.122 1.00 0.00 C ATOM 71 O ASN A 8 -6.877 -23.665 -13.991 1.00 0.00 O ATOM 72 CB ASN A 8 -6.799 -20.788 -14.393 1.00 0.00 C ATOM 73 CG ASN A 8 -6.934 -19.352 -14.858 1.00 0.00 C ATOM 74 OD1 ASN A 8 -6.237 -18.916 -15.774 1.00 0.00 O ATOM 75 ND2 ASN A 8 -7.835 -18.608 -14.228 1.00 0.00 N ATOM 0 HA ASN A 8 -7.080 -21.490 -16.405 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.307 -20.906 -13.436 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.746 -21.015 -14.226 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.971 -17.634 -14.498 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.391 -19.010 -13.474 1.00 0.00 H new ATOM 82 N GLU A 9 -6.306 -23.823 -16.162 1.00 0.00 N ATOM 83 CA GLU A 9 -5.748 -25.163 -16.032 1.00 0.00 C ATOM 84 C GLU A 9 -4.239 -25.149 -16.254 1.00 0.00 C ATOM 85 O GLU A 9 -3.499 -25.892 -15.610 1.00 0.00 O ATOM 86 CB GLU A 9 -6.411 -26.115 -17.029 1.00 0.00 C ATOM 87 CG GLU A 9 -6.167 -27.583 -16.724 1.00 0.00 C ATOM 88 CD GLU A 9 -6.616 -28.495 -17.850 1.00 0.00 C ATOM 89 OE1 GLU A 9 -6.451 -28.110 -19.027 1.00 0.00 O ATOM 90 OE2 GLU A 9 -7.134 -29.592 -17.556 1.00 0.00 O ATOM 0 H GLU A 9 -6.257 -23.436 -17.104 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.946 -25.513 -15.019 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.485 -25.928 -17.038 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.041 -25.894 -18.030 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.105 -27.740 -16.536 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.696 -27.853 -15.810 1.00 0.00 H new ATOM 97 N GLU A 10 -3.790 -24.297 -17.169 1.00 0.00 N ATOM 98 CA GLU A 10 -2.370 -24.183 -17.479 1.00 0.00 C ATOM 99 C GLU A 10 -1.809 -22.848 -16.998 1.00 0.00 C ATOM 100 O GLU A 10 -0.623 -22.738 -16.688 1.00 0.00 O ATOM 101 CB GLU A 10 -2.141 -24.333 -18.985 1.00 0.00 C ATOM 102 CG GLU A 10 -1.897 -25.768 -19.422 1.00 0.00 C ATOM 103 CD GLU A 10 -0.464 -26.211 -19.195 1.00 0.00 C ATOM 104 OE1 GLU A 10 -0.138 -26.601 -18.054 1.00 0.00 O ATOM 105 OE2 GLU A 10 0.330 -26.169 -20.157 1.00 0.00 O ATOM 0 H GLU A 10 -4.390 -23.674 -17.710 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.847 -24.984 -16.956 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.008 -23.942 -19.517 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.286 -23.723 -19.277 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.569 -26.430 -18.875 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.141 -25.868 -20.479 1.00 0.00 H new ATOM 112 N LEU A 11 -2.669 -21.835 -16.941 1.00 0.00 N ATOM 113 CA LEU A 11 -2.258 -20.506 -16.498 1.00 0.00 C ATOM 114 C LEU A 11 -1.642 -20.560 -15.103 1.00 0.00 C ATOM 115 O LEU A 11 -0.762 -19.765 -14.771 1.00 0.00 O ATOM 116 CB LEU A 11 -3.454 -19.552 -16.502 1.00 0.00 C ATOM 117 CG LEU A 11 -3.098 -18.066 -16.580 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.143 -17.582 -18.021 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.039 -17.246 -15.710 1.00 0.00 C ATOM 0 H LEU A 11 -3.654 -21.909 -17.196 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.504 -20.138 -17.193 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.095 -19.801 -17.348 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.038 -19.723 -15.598 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.083 -17.935 -16.206 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.887 -16.523 -18.057 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.428 -18.149 -18.618 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.146 -17.727 -18.422 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.771 -16.192 -15.778 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.064 -17.383 -16.054 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.957 -17.575 -14.674 1.00 0.00 H new ATOM 131 N ARG A 12 -2.109 -21.503 -14.291 1.00 0.00 N ATOM 132 CA ARG A 12 -1.603 -21.660 -12.932 1.00 0.00 C ATOM 133 C ARG A 12 -0.108 -21.961 -12.939 1.00 0.00 C ATOM 134 O ARG A 12 0.623 -21.549 -12.039 1.00 0.00 O ATOM 135 CB ARG A 12 -2.358 -22.777 -12.210 1.00 0.00 C ATOM 136 CG ARG A 12 -2.260 -22.698 -10.696 1.00 0.00 C ATOM 137 CD ARG A 12 -2.353 -24.074 -10.055 1.00 0.00 C ATOM 138 NE ARG A 12 -3.460 -24.161 -9.106 1.00 0.00 N ATOM 139 CZ ARG A 12 -3.627 -25.169 -8.252 1.00 0.00 C ATOM 140 NH1 ARG A 12 -2.761 -26.175 -8.225 1.00 0.00 N ATOM 141 NH2 ARG A 12 -4.661 -25.171 -7.423 1.00 0.00 N ATOM 0 H ARG A 12 -2.836 -22.169 -14.550 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.763 -20.722 -12.401 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.408 -22.741 -12.500 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.969 -23.740 -12.541 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.317 -22.229 -10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.058 -22.063 -10.312 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.481 -24.828 -10.832 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.418 -24.300 -9.543 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.145 -23.405 -9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.963 -26.178 -8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.894 -26.945 -7.569 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.329 -24.400 -7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.789 -25.943 -6.769 1.00 0.00 H new ATOM 155 N ALA A 13 0.339 -22.683 -13.961 1.00 0.00 N ATOM 156 CA ALA A 13 1.747 -23.041 -14.086 1.00 0.00 C ATOM 157 C ALA A 13 2.526 -21.950 -14.814 1.00 0.00 C ATOM 158 O ALA A 13 3.711 -21.742 -14.554 1.00 0.00 O ATOM 159 CB ALA A 13 1.891 -24.369 -14.814 1.00 0.00 C ATOM 0 H ALA A 13 -0.253 -23.032 -14.715 1.00 0.00 H new ATOM 0 HA ALA A 13 2.162 -23.142 -13.083 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.947 -24.624 -14.900 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.374 -25.149 -14.254 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.455 -24.287 -15.810 1.00 0.00 H new ATOM 165 N GLN A 14 1.852 -21.256 -15.724 1.00 0.00 N ATOM 166 CA GLN A 14 2.480 -20.186 -16.490 1.00 0.00 C ATOM 167 C GLN A 14 2.751 -18.967 -15.610 1.00 0.00 C ATOM 168 O GLN A 14 3.647 -18.173 -15.895 1.00 0.00 O ATOM 169 CB GLN A 14 1.594 -19.789 -17.673 1.00 0.00 C ATOM 170 CG GLN A 14 2.357 -19.631 -18.978 1.00 0.00 C ATOM 171 CD GLN A 14 2.010 -18.348 -19.707 1.00 0.00 C ATOM 172 OE1 GLN A 14 0.839 -18.049 -19.939 1.00 0.00 O ATOM 173 NE2 GLN A 14 3.031 -17.580 -20.074 1.00 0.00 N ATOM 0 H GLN A 14 0.870 -21.415 -15.949 1.00 0.00 H new ATOM 0 HA GLN A 14 3.434 -20.557 -16.866 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.818 -20.543 -17.804 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.090 -18.851 -17.440 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.427 -19.649 -18.773 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.142 -20.481 -19.625 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.987 -17.866 -19.861 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.859 -16.705 -20.568 1.00 0.00 H new ATOM 182 N GLN A 15 1.973 -18.826 -14.541 1.00 0.00 N ATOM 183 CA GLN A 15 2.132 -17.704 -13.623 1.00 0.00 C ATOM 184 C GLN A 15 2.977 -18.100 -12.416 1.00 0.00 C ATOM 185 O GLN A 15 2.743 -17.630 -11.302 1.00 0.00 O ATOM 186 CB GLN A 15 0.765 -17.199 -13.159 1.00 0.00 C ATOM 187 CG GLN A 15 -0.031 -16.506 -14.253 1.00 0.00 C ATOM 188 CD GLN A 15 -0.959 -15.437 -13.709 1.00 0.00 C ATOM 189 OE1 GLN A 15 -1.744 -15.687 -12.795 1.00 0.00 O ATOM 190 NE2 GLN A 15 -0.874 -14.236 -14.272 1.00 0.00 N ATOM 0 H GLN A 15 1.227 -19.474 -14.290 1.00 0.00 H new ATOM 0 HA GLN A 15 2.646 -16.904 -14.156 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.186 -18.040 -12.778 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.905 -16.506 -12.329 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.657 -16.055 -14.968 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.616 -17.247 -14.797 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.208 -14.073 -15.028 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.474 -13.477 -13.948 1.00 0.00 H new ATOM 199 N GLU A 16 3.958 -18.967 -12.643 1.00 0.00 N ATOM 200 CA GLU A 16 4.837 -19.424 -11.572 1.00 0.00 C ATOM 201 C GLU A 16 6.136 -18.623 -11.558 1.00 0.00 C ATOM 202 O GLU A 16 6.665 -18.298 -10.496 1.00 0.00 O ATOM 203 CB GLU A 16 5.142 -20.915 -11.735 1.00 0.00 C ATOM 204 CG GLU A 16 4.299 -21.808 -10.841 1.00 0.00 C ATOM 205 CD GLU A 16 5.008 -23.096 -10.468 1.00 0.00 C ATOM 206 OE1 GLU A 16 5.922 -23.046 -9.618 1.00 0.00 O ATOM 207 OE2 GLU A 16 4.649 -24.154 -11.026 1.00 0.00 O ATOM 0 H GLU A 16 4.165 -19.367 -13.558 1.00 0.00 H new ATOM 0 HA GLU A 16 4.325 -19.269 -10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.980 -21.199 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.196 -21.088 -11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.039 -21.265 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.364 -22.046 -11.349 1.00 0.00 H new ATOM 214 N ALA A 17 6.642 -18.307 -12.746 1.00 0.00 N ATOM 215 CA ALA A 17 7.877 -17.544 -12.873 1.00 0.00 C ATOM 216 C ALA A 17 7.599 -16.136 -13.389 1.00 0.00 C ATOM 217 O ALA A 17 8.316 -15.191 -13.061 1.00 0.00 O ATOM 218 CB ALA A 17 8.851 -18.263 -13.793 1.00 0.00 C ATOM 0 H ALA A 17 6.215 -18.568 -13.635 1.00 0.00 H new ATOM 0 HA ALA A 17 8.327 -17.459 -11.884 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.769 -17.681 -13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.082 -19.246 -13.382 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.402 -18.378 -14.779 1.00 0.00 H new ATOM 224 N GLU A 18 6.553 -16.005 -14.197 1.00 0.00 N ATOM 225 CA GLU A 18 6.178 -14.713 -14.760 1.00 0.00 C ATOM 226 C GLU A 18 5.598 -13.798 -13.685 1.00 0.00 C ATOM 227 O GLU A 18 5.691 -12.574 -13.781 1.00 0.00 O ATOM 228 CB GLU A 18 5.163 -14.900 -15.889 1.00 0.00 C ATOM 229 CG GLU A 18 5.793 -15.303 -17.213 1.00 0.00 C ATOM 230 CD GLU A 18 6.083 -16.789 -17.292 1.00 0.00 C ATOM 231 OE1 GLU A 18 7.114 -17.224 -16.737 1.00 0.00 O ATOM 232 OE2 GLU A 18 5.277 -17.519 -17.908 1.00 0.00 O ATOM 0 H GLU A 18 5.949 -16.778 -14.477 1.00 0.00 H new ATOM 0 HA GLU A 18 7.077 -14.246 -15.163 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.440 -15.660 -15.594 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.610 -13.971 -16.027 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.126 -15.023 -18.029 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.720 -14.748 -17.354 1.00 0.00 H new ATOM 239 N ALA A 19 5.000 -14.398 -12.661 1.00 0.00 N ATOM 240 CA ALA A 19 4.406 -13.637 -11.568 1.00 0.00 C ATOM 241 C ALA A 19 5.352 -13.557 -10.375 1.00 0.00 C ATOM 242 O ALA A 19 4.914 -13.452 -9.229 1.00 0.00 O ATOM 243 CB ALA A 19 3.081 -14.257 -11.153 1.00 0.00 C ATOM 0 H ALA A 19 4.914 -15.410 -12.565 1.00 0.00 H new ATOM 0 HA ALA A 19 4.225 -12.622 -11.922 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.649 -13.679 -10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.397 -14.255 -12.001 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.247 -15.283 -10.823 1.00 0.00 H new ATOM 249 N ALA A 20 6.651 -13.608 -10.650 1.00 0.00 N ATOM 250 CA ALA A 20 7.659 -13.541 -9.598 1.00 0.00 C ATOM 251 C ALA A 20 8.943 -12.898 -10.112 1.00 0.00 C ATOM 252 O ALA A 20 9.511 -12.020 -9.464 1.00 0.00 O ATOM 253 CB ALA A 20 7.944 -14.932 -9.052 1.00 0.00 C ATOM 0 H ALA A 20 7.031 -13.696 -11.593 1.00 0.00 H new ATOM 0 HA ALA A 20 7.269 -12.920 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.698 -14.868 -8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.028 -15.356 -8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.310 -15.570 -9.856 1.00 0.00 H new ATOM 259 N GLN A 21 9.394 -13.343 -11.280 1.00 0.00 N ATOM 260 CA GLN A 21 10.611 -12.811 -11.881 1.00 0.00 C ATOM 261 C GLN A 21 10.315 -11.545 -12.678 1.00 0.00 C ATOM 262 O GLN A 21 10.958 -10.513 -12.484 1.00 0.00 O ATOM 263 CB GLN A 21 11.255 -13.860 -12.790 1.00 0.00 C ATOM 264 CG GLN A 21 12.617 -13.448 -13.324 1.00 0.00 C ATOM 265 CD GLN A 21 13.734 -14.348 -12.832 1.00 0.00 C ATOM 266 OE1 GLN A 21 14.573 -14.799 -13.611 1.00 0.00 O ATOM 267 NE2 GLN A 21 13.749 -14.614 -11.531 1.00 0.00 N ATOM 0 H GLN A 21 8.935 -14.070 -11.829 1.00 0.00 H new ATOM 0 HA GLN A 21 11.304 -12.560 -11.078 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.358 -14.794 -12.237 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.589 -14.059 -13.630 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.596 -13.464 -14.414 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.825 -12.421 -13.025 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.033 -14.218 -10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.476 -15.214 -11.141 1.00 0.00 H new ATOM 276 N ARG A 22 9.337 -11.631 -13.574 1.00 0.00 N ATOM 277 CA ARG A 22 8.954 -10.492 -14.400 1.00 0.00 C ATOM 278 C ARG A 22 8.305 -9.400 -13.556 1.00 0.00 C ATOM 279 O ARG A 22 8.370 -8.218 -13.897 1.00 0.00 O ATOM 280 CB ARG A 22 7.995 -10.936 -15.505 1.00 0.00 C ATOM 281 CG ARG A 22 8.617 -11.904 -16.498 1.00 0.00 C ATOM 282 CD ARG A 22 9.324 -11.168 -17.625 1.00 0.00 C ATOM 283 NE ARG A 22 10.426 -10.344 -17.133 1.00 0.00 N ATOM 284 CZ ARG A 22 11.575 -10.838 -16.677 1.00 0.00 C ATOM 285 NH1 ARG A 22 11.777 -12.150 -16.647 1.00 0.00 N ATOM 286 NH2 ARG A 22 12.525 -10.018 -16.249 1.00 0.00 N ATOM 0 H ARG A 22 8.795 -12.478 -13.746 1.00 0.00 H new ATOM 0 HA ARG A 22 9.858 -10.085 -14.854 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.123 -11.406 -15.050 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.640 -10.056 -16.042 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.327 -12.550 -15.982 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.843 -12.549 -16.913 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.705 -11.890 -18.347 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.608 -10.538 -18.152 1.00 0.00 H new ATOM 0 HE ARG A 22 10.308 -9.331 -17.139 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.050 -12.786 -16.975 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.660 -12.522 -16.296 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.375 -9.009 -16.269 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.406 -10.396 -15.899 1.00 0.00 H new ATOM 300 N LEU A 23 7.678 -9.800 -12.454 1.00 0.00 N ATOM 301 CA LEU A 23 7.018 -8.853 -11.563 1.00 0.00 C ATOM 302 C LEU A 23 7.921 -8.487 -10.389 1.00 0.00 C ATOM 303 O LEU A 23 7.445 -8.231 -9.283 1.00 0.00 O ATOM 304 CB LEU A 23 5.703 -9.438 -11.046 1.00 0.00 C ATOM 305 CG LEU A 23 4.693 -8.410 -10.534 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.797 -7.933 -11.667 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.860 -8.999 -9.406 1.00 0.00 C ATOM 0 H LEU A 23 7.613 -10.774 -12.157 1.00 0.00 H new ATOM 0 HA LEU A 23 6.807 -7.947 -12.131 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.239 -10.012 -11.848 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.926 -10.138 -10.240 1.00 0.00 H new ATOM 0 HG LEU A 23 5.241 -7.552 -10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.085 -7.202 -11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.407 -7.473 -12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.256 -8.782 -12.085 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.147 -8.254 -9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.321 -9.874 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.514 -9.292 -8.585 1.00 0.00 H new ATOM 319 N SER A 24 9.227 -8.463 -10.637 1.00 0.00 N ATOM 320 CA SER A 24 10.195 -8.128 -9.599 1.00 0.00 C ATOM 321 C SER A 24 10.289 -6.618 -9.411 1.00 0.00 C ATOM 322 O SER A 24 10.541 -6.135 -8.307 1.00 0.00 O ATOM 323 CB SER A 24 11.571 -8.695 -9.955 1.00 0.00 C ATOM 324 OG SER A 24 12.047 -8.152 -11.175 1.00 0.00 O ATOM 0 H SER A 24 9.639 -8.671 -11.547 1.00 0.00 H new ATOM 0 HA SER A 24 9.856 -8.573 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.277 -8.473 -9.155 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.511 -9.780 -10.035 1.00 0.00 H new ATOM 0 HG SER A 24 11.842 -8.768 -11.909 1.00 0.00 H new ATOM 330 N GLU A 25 10.083 -5.877 -10.496 1.00 0.00 N ATOM 331 CA GLU A 25 10.143 -4.422 -10.449 1.00 0.00 C ATOM 332 C GLU A 25 8.963 -3.853 -9.665 1.00 0.00 C ATOM 333 O GLU A 25 9.125 -2.934 -8.862 1.00 0.00 O ATOM 334 CB GLU A 25 10.158 -3.846 -11.868 1.00 0.00 C ATOM 335 CG GLU A 25 11.462 -3.152 -12.228 1.00 0.00 C ATOM 336 CD GLU A 25 11.567 -2.841 -13.708 1.00 0.00 C ATOM 337 OE1 GLU A 25 11.619 -3.794 -14.513 1.00 0.00 O ATOM 338 OE2 GLU A 25 11.598 -1.643 -14.062 1.00 0.00 O ATOM 0 H GLU A 25 9.873 -6.261 -11.417 1.00 0.00 H new ATOM 0 HA GLU A 25 11.063 -4.136 -9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.976 -4.651 -12.580 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.337 -3.136 -11.972 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.546 -2.226 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.299 -3.784 -11.933 1.00 0.00 H new ATOM 345 N GLU A 26 7.780 -4.407 -9.902 1.00 0.00 N ATOM 346 CA GLU A 26 6.574 -3.957 -9.218 1.00 0.00 C ATOM 347 C GLU A 26 6.645 -4.275 -7.728 1.00 0.00 C ATOM 348 O GLU A 26 6.128 -3.527 -6.898 1.00 0.00 O ATOM 349 CB GLU A 26 5.336 -4.612 -9.834 1.00 0.00 C ATOM 350 CG GLU A 26 4.658 -3.756 -10.891 1.00 0.00 C ATOM 351 CD GLU A 26 3.145 -3.812 -10.804 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.609 -3.663 -9.685 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.496 -4.006 -11.853 1.00 0.00 O ATOM 0 H GLU A 26 7.630 -5.169 -10.563 1.00 0.00 H new ATOM 0 HA GLU A 26 6.500 -2.876 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.623 -5.565 -10.279 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.620 -4.832 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.987 -2.722 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.974 -4.088 -11.880 1.00 0.00 H new ATOM 360 N LYS A 27 7.289 -5.390 -7.396 1.00 0.00 N ATOM 361 CA LYS A 27 7.428 -5.806 -6.005 1.00 0.00 C ATOM 362 C LYS A 27 8.449 -4.939 -5.277 1.00 0.00 C ATOM 363 O LYS A 27 8.278 -4.614 -4.102 1.00 0.00 O ATOM 364 CB LYS A 27 7.843 -7.277 -5.930 1.00 0.00 C ATOM 365 CG LYS A 27 7.765 -7.860 -4.529 1.00 0.00 C ATOM 366 CD LYS A 27 7.611 -9.371 -4.562 1.00 0.00 C ATOM 367 CE LYS A 27 8.956 -10.071 -4.455 1.00 0.00 C ATOM 368 NZ LYS A 27 8.807 -11.543 -4.291 1.00 0.00 N ATOM 0 H LYS A 27 7.722 -6.021 -8.071 1.00 0.00 H new ATOM 0 HA LYS A 27 6.461 -5.683 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.204 -7.860 -6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.863 -7.377 -6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.665 -7.597 -3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.922 -7.419 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.967 -9.690 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.118 -9.667 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.545 -9.864 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.509 -9.666 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.747 -11.982 -4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.267 -11.743 -3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.302 -11.934 -5.112 1.00 0.00 H new ATOM 382 N ALA A 28 9.512 -4.567 -5.983 1.00 0.00 N ATOM 383 CA ALA A 28 10.562 -3.738 -5.404 1.00 0.00 C ATOM 384 C ALA A 28 10.004 -2.399 -4.933 1.00 0.00 C ATOM 385 O ALA A 28 10.214 -1.996 -3.789 1.00 0.00 O ATOM 386 CB ALA A 28 11.679 -3.521 -6.412 1.00 0.00 C ATOM 0 H ALA A 28 9.669 -4.827 -6.957 1.00 0.00 H new ATOM 0 HA ALA A 28 10.967 -4.260 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.456 -2.900 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.103 -4.484 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.280 -3.023 -7.296 1.00 0.00 H new ATOM 392 N GLN A 29 9.294 -1.713 -5.822 1.00 0.00 N ATOM 393 CA GLN A 29 8.707 -0.418 -5.498 1.00 0.00 C ATOM 394 C GLN A 29 7.684 -0.552 -4.375 1.00 0.00 C ATOM 395 O GLN A 29 7.720 0.194 -3.396 1.00 0.00 O ATOM 396 CB GLN A 29 8.047 0.191 -6.736 1.00 0.00 C ATOM 397 CG GLN A 29 9.038 0.797 -7.715 1.00 0.00 C ATOM 398 CD GLN A 29 9.529 -0.204 -8.743 1.00 0.00 C ATOM 399 OE1 GLN A 29 10.529 -0.889 -8.531 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.825 -0.293 -9.865 1.00 0.00 N ATOM 0 H GLN A 29 9.111 -2.032 -6.773 1.00 0.00 H new ATOM 0 HA GLN A 29 9.506 0.242 -5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.469 -0.580 -7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.343 0.961 -6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.570 1.638 -8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.891 1.194 -7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.002 0.295 -9.999 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.107 -0.949 -10.593 1.00 0.00 H new ATOM 409 N ALA A 30 6.773 -1.508 -4.522 1.00 0.00 N ATOM 410 CA ALA A 30 5.740 -1.741 -3.520 1.00 0.00 C ATOM 411 C ALA A 30 6.356 -2.065 -2.161 1.00 0.00 C ATOM 412 O ALA A 30 5.744 -1.827 -1.120 1.00 0.00 O ATOM 413 CB ALA A 30 4.818 -2.866 -3.964 1.00 0.00 C ATOM 0 H ALA A 30 6.729 -2.134 -5.326 1.00 0.00 H new ATOM 0 HA ALA A 30 5.156 -0.826 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.052 -3.029 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.344 -2.597 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.397 -3.780 -4.097 1.00 0.00 H new ATOM 419 N SER A 31 7.570 -2.607 -2.179 1.00 0.00 N ATOM 420 CA SER A 31 8.267 -2.962 -0.948 1.00 0.00 C ATOM 421 C SER A 31 9.279 -1.886 -0.567 1.00 0.00 C ATOM 422 O SER A 31 10.324 -2.181 0.014 1.00 0.00 O ATOM 423 CB SER A 31 8.972 -4.309 -1.107 1.00 0.00 C ATOM 424 OG SER A 31 8.034 -5.366 -1.220 1.00 0.00 O ATOM 0 H SER A 31 8.091 -2.810 -3.032 1.00 0.00 H new ATOM 0 HA SER A 31 7.528 -3.039 -0.150 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.609 -4.288 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.622 -4.486 -0.250 1.00 0.00 H new ATOM 0 HG SER A 31 7.791 -5.488 -2.161 1.00 0.00 H new ATOM 430 N ALA A 32 8.963 -0.640 -0.900 1.00 0.00 N ATOM 431 CA ALA A 32 9.844 0.481 -0.595 1.00 0.00 C ATOM 432 C ALA A 32 9.043 1.727 -0.237 1.00 0.00 C ATOM 433 O ALA A 32 9.344 2.412 0.741 1.00 0.00 O ATOM 434 CB ALA A 32 10.766 0.762 -1.771 1.00 0.00 C ATOM 0 H ALA A 32 8.102 -0.380 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 32 10.450 0.211 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.418 1.601 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.372 -0.120 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.170 1.007 -2.650 1.00 0.00 H new ATOM 440 N ILE A 33 8.023 2.019 -1.037 1.00 0.00 N ATOM 441 CA ILE A 33 7.178 3.184 -0.804 1.00 0.00 C ATOM 442 C ILE A 33 6.337 3.009 0.456 1.00 0.00 C ATOM 443 O ILE A 33 5.319 2.318 0.443 1.00 0.00 O ATOM 444 CB ILE A 33 6.243 3.450 -2.000 1.00 0.00 C ATOM 445 CG1 ILE A 33 7.043 3.494 -3.304 1.00 0.00 C ATOM 446 CG2 ILE A 33 5.479 4.750 -1.799 1.00 0.00 C ATOM 447 CD1 ILE A 33 6.177 3.458 -4.545 1.00 0.00 C ATOM 0 H ILE A 33 7.762 1.465 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 33 7.844 4.037 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 33 5.523 2.634 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.648 4.400 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.732 2.650 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.824 4.923 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.881 4.684 -0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.184 5.576 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.810 3.492 -5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.591 2.539 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.506 4.317 -4.545 1.00 0.00 H new ATOM 459 N SER A 34 6.771 3.638 1.544 1.00 0.00 N ATOM 460 CA SER A 34 6.057 3.552 2.812 1.00 0.00 C ATOM 461 C SER A 34 4.657 4.144 2.690 1.00 0.00 C ATOM 462 O SER A 34 4.315 4.750 1.675 1.00 0.00 O ATOM 463 CB SER A 34 6.837 4.278 3.910 1.00 0.00 C ATOM 464 OG SER A 34 8.123 3.708 4.084 1.00 0.00 O ATOM 0 H SER A 34 7.613 4.212 1.572 1.00 0.00 H new ATOM 0 HA SER A 34 5.964 2.499 3.077 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.935 5.333 3.654 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.284 4.228 4.848 1.00 0.00 H new ATOM 0 HG SER A 34 8.602 4.191 4.790 1.00 0.00 H new ATOM 470 N VAL A 35 3.852 3.965 3.732 1.00 0.00 N ATOM 471 CA VAL A 35 2.489 4.481 3.742 1.00 0.00 C ATOM 472 C VAL A 35 2.415 5.819 4.473 1.00 0.00 C ATOM 473 O VAL A 35 3.085 6.021 5.486 1.00 0.00 O ATOM 474 CB VAL A 35 1.515 3.489 4.407 1.00 0.00 C ATOM 475 CG1 VAL A 35 0.080 3.974 4.270 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.675 2.100 3.810 1.00 0.00 C ATOM 0 H VAL A 35 4.120 3.466 4.580 1.00 0.00 H new ATOM 0 HA VAL A 35 2.196 4.621 2.702 1.00 0.00 H new ATOM 0 HB VAL A 35 1.755 3.432 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.592 3.260 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.023 4.946 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.174 4.064 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.979 1.414 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.465 2.137 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.696 1.752 3.968 1.00 0.00 H new ATOM 486 N GLY A 36 1.597 6.726 3.952 1.00 0.00 N ATOM 487 CA GLY A 36 1.450 8.033 4.569 1.00 0.00 C ATOM 488 C GLY A 36 2.506 9.015 4.104 1.00 0.00 C ATOM 489 O GLY A 36 2.875 9.933 4.836 1.00 0.00 O ATOM 0 H GLY A 36 1.033 6.581 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.462 8.431 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.507 7.928 5.652 1.00 0.00 H new ATOM 493 N SER A 37 2.995 8.822 2.883 1.00 0.00 N ATOM 494 CA SER A 37 4.016 9.699 2.320 1.00 0.00 C ATOM 495 C SER A 37 3.529 10.342 1.026 1.00 0.00 C ATOM 496 O SER A 37 3.080 9.654 0.109 1.00 0.00 O ATOM 497 CB SER A 37 5.304 8.915 2.060 1.00 0.00 C ATOM 498 OG SER A 37 5.945 8.568 3.276 1.00 0.00 O ATOM 0 H SER A 37 2.701 8.066 2.264 1.00 0.00 H new ATOM 0 HA SER A 37 4.219 10.489 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.075 8.011 1.495 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.979 9.512 1.447 1.00 0.00 H new ATOM 0 HG SER A 37 6.764 8.066 3.082 1.00 0.00 H new ATOM 504 N ARG A 38 3.620 11.667 0.959 1.00 0.00 N ATOM 505 CA ARG A 38 3.188 12.404 -0.223 1.00 0.00 C ATOM 506 C ARG A 38 4.012 12.005 -1.444 1.00 0.00 C ATOM 507 O ARG A 38 5.220 12.234 -1.492 1.00 0.00 O ATOM 508 CB ARG A 38 3.307 13.911 0.020 1.00 0.00 C ATOM 509 CG ARG A 38 1.979 14.580 0.335 1.00 0.00 C ATOM 510 CD ARG A 38 1.264 15.022 -0.930 1.00 0.00 C ATOM 511 NE ARG A 38 -0.189 14.954 -0.790 1.00 0.00 N ATOM 512 CZ ARG A 38 -0.915 15.861 -0.142 1.00 0.00 C ATOM 513 NH1 ARG A 38 -0.329 16.908 0.427 1.00 0.00 N ATOM 514 NH2 ARG A 38 -2.232 15.723 -0.063 1.00 0.00 N ATOM 0 H ARG A 38 3.989 12.252 1.709 1.00 0.00 H new ATOM 0 HA ARG A 38 2.144 12.156 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.997 14.085 0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.741 14.380 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.345 13.889 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.149 15.443 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.557 16.043 -1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.578 14.392 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.675 14.164 -1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.683 17.020 0.369 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.891 17.600 0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.688 14.921 -0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.789 16.418 0.434 1.00 0.00 H new ATOM 528 N CYS A 39 3.350 11.405 -2.428 1.00 0.00 N ATOM 529 CA CYS A 39 4.020 10.974 -3.649 1.00 0.00 C ATOM 530 C CYS A 39 3.194 11.335 -4.879 1.00 0.00 C ATOM 531 O CYS A 39 1.974 11.472 -4.801 1.00 0.00 O ATOM 532 CB CYS A 39 4.271 9.465 -3.614 1.00 0.00 C ATOM 533 SG CYS A 39 4.909 8.858 -2.034 1.00 0.00 S ATOM 0 H CYS A 39 2.350 11.206 -2.403 1.00 0.00 H new ATOM 0 HA CYS A 39 4.977 11.493 -3.710 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.339 8.947 -3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.978 9.207 -4.402 1.00 0.00 H new ATOM 0 HG CYS A 39 3.956 8.863 -1.150 1.00 0.00 H new ATOM 539 N GLU A 40 3.869 11.487 -6.014 1.00 0.00 N ATOM 540 CA GLU A 40 3.196 11.831 -7.261 1.00 0.00 C ATOM 541 C GLU A 40 2.622 10.584 -7.929 1.00 0.00 C ATOM 542 O GLU A 40 3.073 9.469 -7.674 1.00 0.00 O ATOM 543 CB GLU A 40 4.167 12.536 -8.211 1.00 0.00 C ATOM 544 CG GLU A 40 3.669 13.888 -8.696 1.00 0.00 C ATOM 545 CD GLU A 40 4.291 15.045 -7.939 1.00 0.00 C ATOM 546 OE1 GLU A 40 5.508 14.987 -7.662 1.00 0.00 O ATOM 547 OE2 GLU A 40 3.563 16.007 -7.622 1.00 0.00 O ATOM 0 H GLU A 40 4.880 11.378 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 40 2.373 12.507 -7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.124 12.670 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.349 11.894 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.890 13.993 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.585 13.931 -8.591 1.00 0.00 H new ATOM 554 N VAL A 41 1.624 10.784 -8.784 1.00 0.00 N ATOM 555 CA VAL A 41 0.990 9.676 -9.486 1.00 0.00 C ATOM 556 C VAL A 41 0.792 10.000 -10.963 1.00 0.00 C ATOM 557 O VAL A 41 0.319 11.082 -11.314 1.00 0.00 O ATOM 558 CB VAL A 41 -0.374 9.323 -8.864 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.920 8.038 -9.466 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.257 9.205 -7.352 1.00 0.00 C ATOM 0 H VAL A 41 1.238 11.702 -9.006 1.00 0.00 H new ATOM 0 HA VAL A 41 1.658 8.820 -9.391 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.074 10.128 -9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.884 7.805 -9.014 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.045 8.164 -10.541 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.223 7.222 -9.275 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.231 8.955 -6.930 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.459 8.421 -7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.085 10.154 -6.938 1.00 0.00 H new ATOM 570 N ARG A 42 1.159 9.057 -11.824 1.00 0.00 N ATOM 571 CA ARG A 42 1.024 9.241 -13.264 1.00 0.00 C ATOM 572 C ARG A 42 0.003 8.266 -13.843 1.00 0.00 C ATOM 573 O ARG A 42 0.196 7.051 -13.799 1.00 0.00 O ATOM 574 CB ARG A 42 2.376 9.050 -13.953 1.00 0.00 C ATOM 575 CG ARG A 42 2.516 9.832 -15.248 1.00 0.00 C ATOM 576 CD ARG A 42 3.689 9.336 -16.079 1.00 0.00 C ATOM 577 NE ARG A 42 3.266 8.861 -17.394 1.00 0.00 N ATOM 578 CZ ARG A 42 4.103 8.391 -18.317 1.00 0.00 C ATOM 579 NH1 ARG A 42 5.406 8.332 -18.073 1.00 0.00 N ATOM 580 NH2 ARG A 42 3.635 7.979 -19.488 1.00 0.00 N ATOM 0 H ARG A 42 1.553 8.157 -11.549 1.00 0.00 H new ATOM 0 HA ARG A 42 0.673 10.257 -13.444 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.169 9.352 -13.269 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.521 7.990 -14.161 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.597 9.745 -15.827 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.651 10.890 -15.022 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.414 10.141 -16.200 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.195 8.530 -15.548 1.00 0.00 H new ATOM 0 HE ARG A 42 2.271 8.891 -17.618 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.771 8.648 -17.175 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.042 7.971 -18.784 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.634 8.022 -19.681 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.276 7.619 -20.195 1.00 0.00 H new ATOM 594 N ALA A 43 -1.084 8.807 -14.384 1.00 0.00 N ATOM 595 CA ALA A 43 -2.134 7.984 -14.971 1.00 0.00 C ATOM 596 C ALA A 43 -2.620 8.573 -16.293 1.00 0.00 C ATOM 597 O ALA A 43 -2.312 9.718 -16.622 1.00 0.00 O ATOM 598 CB ALA A 43 -3.295 7.838 -13.996 1.00 0.00 C ATOM 0 H ALA A 43 -1.260 9.811 -14.428 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.718 6.997 -15.175 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.073 7.221 -14.446 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.943 7.366 -13.079 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.701 8.822 -13.764 1.00 0.00 H new ATOM 604 N PRO A 44 -3.390 7.792 -17.071 1.00 0.00 N ATOM 605 CA PRO A 44 -3.918 8.241 -18.363 1.00 0.00 C ATOM 606 C PRO A 44 -5.046 9.261 -18.216 1.00 0.00 C ATOM 607 O PRO A 44 -5.519 9.821 -19.205 1.00 0.00 O ATOM 608 CB PRO A 44 -4.446 6.952 -18.993 1.00 0.00 C ATOM 609 CG PRO A 44 -4.796 6.084 -17.836 1.00 0.00 C ATOM 610 CD PRO A 44 -3.805 6.412 -16.753 1.00 0.00 C ATOM 0 HA PRO A 44 -3.157 8.747 -18.957 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.316 7.145 -19.621 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.693 6.483 -19.627 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.816 6.273 -17.501 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.741 5.030 -18.109 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.256 6.347 -15.763 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.958 5.726 -16.763 1.00 0.00 H new ATOM 618 N ASP A 45 -5.476 9.500 -16.979 1.00 0.00 N ATOM 619 CA ASP A 45 -6.548 10.452 -16.712 1.00 0.00 C ATOM 620 C ASP A 45 -6.219 11.825 -17.291 1.00 0.00 C ATOM 621 O ASP A 45 -7.044 12.436 -17.971 1.00 0.00 O ATOM 622 CB ASP A 45 -6.791 10.568 -15.205 1.00 0.00 C ATOM 623 CG ASP A 45 -7.687 9.464 -14.677 1.00 0.00 C ATOM 624 OD1 ASP A 45 -7.687 8.365 -15.271 1.00 0.00 O ATOM 625 OD2 ASP A 45 -8.390 9.699 -13.672 1.00 0.00 O ATOM 0 H ASP A 45 -5.098 9.047 -16.147 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.453 10.083 -17.194 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.835 10.538 -14.682 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.243 11.535 -14.986 1.00 0.00 H new ATOM 630 N HIS A 46 -5.010 12.304 -17.016 1.00 0.00 N ATOM 631 CA HIS A 46 -4.574 13.605 -17.511 1.00 0.00 C ATOM 632 C HIS A 46 -3.055 13.731 -17.449 1.00 0.00 C ATOM 633 O HIS A 46 -2.376 13.677 -18.473 1.00 0.00 O ATOM 634 CB HIS A 46 -5.229 14.727 -16.700 1.00 0.00 C ATOM 635 CG HIS A 46 -5.945 15.734 -17.544 1.00 0.00 C ATOM 636 ND1 HIS A 46 -7.308 15.713 -17.750 1.00 0.00 N ATOM 637 CD2 HIS A 46 -5.479 16.801 -18.237 1.00 0.00 C ATOM 638 CE1 HIS A 46 -7.650 16.720 -18.532 1.00 0.00 C ATOM 639 NE2 HIS A 46 -6.559 17.397 -18.841 1.00 0.00 N ATOM 0 H HIS A 46 -4.316 11.812 -16.454 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.882 13.693 -18.553 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.934 14.290 -15.993 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.464 15.235 -16.113 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.450 17.123 -18.302 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.652 16.951 -18.863 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.524 18.228 -19.432 1.00 0.00 H new ATOM 648 N SER A 47 -2.529 13.901 -16.240 1.00 0.00 N ATOM 649 CA SER A 47 -1.090 14.035 -16.044 1.00 0.00 C ATOM 650 C SER A 47 -0.707 13.745 -14.597 1.00 0.00 C ATOM 651 O SER A 47 -1.526 13.267 -13.813 1.00 0.00 O ATOM 652 CB SER A 47 -0.632 15.441 -16.434 1.00 0.00 C ATOM 653 OG SER A 47 -1.031 16.395 -15.465 1.00 0.00 O ATOM 0 H SER A 47 -3.078 13.949 -15.382 1.00 0.00 H new ATOM 0 HA SER A 47 -0.592 13.307 -16.684 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.453 15.457 -16.540 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.051 15.707 -17.405 1.00 0.00 H new ATOM 0 HG SER A 47 -0.725 17.285 -15.737 1.00 0.00 H new ATOM 659 N LEU A 48 0.543 14.037 -14.251 1.00 0.00 N ATOM 660 CA LEU A 48 1.034 13.808 -12.898 1.00 0.00 C ATOM 661 C LEU A 48 0.231 14.615 -11.883 1.00 0.00 C ATOM 662 O LEU A 48 -0.067 15.788 -12.105 1.00 0.00 O ATOM 663 CB LEU A 48 2.518 14.173 -12.804 1.00 0.00 C ATOM 664 CG LEU A 48 3.484 12.995 -12.944 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.859 13.482 -13.374 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.574 12.224 -11.635 1.00 0.00 C ATOM 0 H LEU A 48 1.233 14.432 -14.889 1.00 0.00 H new ATOM 0 HA LEU A 48 0.913 12.750 -12.667 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.746 14.905 -13.579 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.697 14.658 -11.845 1.00 0.00 H new ATOM 0 HG LEU A 48 3.102 12.324 -13.713 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.533 12.631 -13.469 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.781 13.991 -14.334 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.250 14.173 -12.628 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.265 11.389 -11.751 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.933 12.886 -10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.588 11.844 -11.368 1.00 0.00 H new ATOM 678 N ARG A 49 -0.113 13.979 -10.769 1.00 0.00 N ATOM 679 CA ARG A 49 -0.881 14.638 -9.718 1.00 0.00 C ATOM 680 C ARG A 49 -0.327 14.289 -8.341 1.00 0.00 C ATOM 681 O ARG A 49 0.386 13.298 -8.180 1.00 0.00 O ATOM 682 CB ARG A 49 -2.354 14.236 -9.806 1.00 0.00 C ATOM 683 CG ARG A 49 -3.015 14.628 -11.118 1.00 0.00 C ATOM 684 CD ARG A 49 -3.559 16.046 -11.065 1.00 0.00 C ATOM 685 NE ARG A 49 -4.356 16.372 -12.246 1.00 0.00 N ATOM 686 CZ ARG A 49 -5.013 17.518 -12.405 1.00 0.00 C ATOM 687 NH1 ARG A 49 -4.972 18.450 -11.461 1.00 0.00 N ATOM 688 NH2 ARG A 49 -5.714 17.732 -13.510 1.00 0.00 N ATOM 0 H ARG A 49 0.127 13.008 -10.570 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.797 15.715 -9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.436 13.157 -9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.898 14.698 -8.982 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.293 14.544 -11.930 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.826 13.934 -11.340 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.170 16.166 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.730 16.749 -10.982 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.412 15.680 -12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.435 18.289 -10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.477 19.327 -11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.749 17.018 -14.238 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.218 18.610 -13.632 1.00 0.00 H new ATOM 702 N ARG A 50 -0.660 15.110 -7.349 1.00 0.00 N ATOM 703 CA ARG A 50 -0.196 14.887 -5.984 1.00 0.00 C ATOM 704 C ARG A 50 -1.130 13.938 -5.240 1.00 0.00 C ATOM 705 O ARG A 50 -2.351 14.013 -5.381 1.00 0.00 O ATOM 706 CB ARG A 50 -0.097 16.216 -5.234 1.00 0.00 C ATOM 707 CG ARG A 50 1.165 17.002 -5.551 1.00 0.00 C ATOM 708 CD ARG A 50 2.389 16.372 -4.907 1.00 0.00 C ATOM 709 NE ARG A 50 3.522 17.294 -4.869 1.00 0.00 N ATOM 710 CZ ARG A 50 3.570 18.379 -4.098 1.00 0.00 C ATOM 711 NH1 ARG A 50 2.552 18.681 -3.301 1.00 0.00 N ATOM 712 NH2 ARG A 50 4.639 19.163 -4.124 1.00 0.00 N ATOM 0 H ARG A 50 -1.249 15.935 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 50 0.793 14.430 -6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.966 16.827 -5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.134 16.022 -4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.304 17.049 -6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.054 18.028 -5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.144 16.057 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.669 15.476 -5.460 1.00 0.00 H new ATOM 0 HE ARG A 50 4.323 17.095 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.728 18.081 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.594 19.513 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.424 18.935 -4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.676 19.994 -3.534 1.00 0.00 H new ATOM 726 N GLY A 51 -0.548 13.044 -4.446 1.00 0.00 N ATOM 727 CA GLY A 51 -1.343 12.094 -3.692 1.00 0.00 C ATOM 728 C GLY A 51 -0.601 11.540 -2.492 1.00 0.00 C ATOM 729 O GLY A 51 0.563 11.870 -2.266 1.00 0.00 O ATOM 0 H GLY A 51 0.460 12.961 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.260 12.578 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.637 11.272 -4.345 1.00 0.00 H new ATOM 733 N THR A 52 -1.276 10.696 -1.718 1.00 0.00 N ATOM 734 CA THR A 52 -0.674 10.096 -0.533 1.00 0.00 C ATOM 735 C THR A 52 -0.895 8.587 -0.516 1.00 0.00 C ATOM 736 O THR A 52 -1.960 8.101 -0.900 1.00 0.00 O ATOM 737 CB THR A 52 -1.257 10.723 0.734 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.774 12.013 0.463 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.246 10.859 1.852 1.00 0.00 C ATOM 0 H THR A 52 -2.240 10.412 -1.890 1.00 0.00 H new ATOM 0 HA THR A 52 0.399 10.288 -0.564 1.00 0.00 H new ATOM 0 HB THR A 52 -2.045 10.043 1.058 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.144 12.397 1.285 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.724 11.311 2.722 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.136 9.874 2.119 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.579 11.491 1.522 1.00 0.00 H new ATOM 747 N VAL A 53 0.117 7.851 -0.068 1.00 0.00 N ATOM 748 CA VAL A 53 0.031 6.397 0.000 1.00 0.00 C ATOM 749 C VAL A 53 -0.838 5.953 1.171 1.00 0.00 C ATOM 750 O VAL A 53 -0.631 6.378 2.307 1.00 0.00 O ATOM 751 CB VAL A 53 1.426 5.758 0.139 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.335 4.244 0.028 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.377 6.319 -0.907 1.00 0.00 C ATOM 0 H VAL A 53 1.005 8.237 0.253 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.422 6.062 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 53 1.820 6.004 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.330 3.811 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.690 3.859 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.919 3.975 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.357 5.856 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.989 6.106 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.468 7.397 -0.775 1.00 0.00 H new ATOM 763 N MET A 54 -1.812 5.094 0.886 1.00 0.00 N ATOM 764 CA MET A 54 -2.714 4.591 1.916 1.00 0.00 C ATOM 765 C MET A 54 -2.607 3.075 2.042 1.00 0.00 C ATOM 766 O MET A 54 -2.518 2.539 3.147 1.00 0.00 O ATOM 767 CB MET A 54 -4.157 4.987 1.596 1.00 0.00 C ATOM 768 CG MET A 54 -4.347 6.481 1.391 1.00 0.00 C ATOM 769 SD MET A 54 -6.044 6.913 0.961 1.00 0.00 S ATOM 770 CE MET A 54 -6.091 6.423 -0.761 1.00 0.00 C ATOM 0 H MET A 54 -1.997 4.732 -0.050 1.00 0.00 H new ATOM 0 HA MET A 54 -2.423 5.037 2.867 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.478 4.462 0.697 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.805 4.655 2.407 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.062 7.008 2.302 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.678 6.823 0.602 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.049 6.709 -1.195 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.285 6.919 -1.302 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.967 5.343 -0.835 1.00 0.00 H new ATOM 780 N TYR A 55 -2.615 2.390 0.904 1.00 0.00 N ATOM 781 CA TYR A 55 -2.519 0.935 0.887 1.00 0.00 C ATOM 782 C TYR A 55 -1.565 0.465 -0.206 1.00 0.00 C ATOM 783 O TYR A 55 -1.491 1.062 -1.280 1.00 0.00 O ATOM 784 CB TYR A 55 -3.901 0.314 0.676 1.00 0.00 C ATOM 785 CG TYR A 55 -4.007 -1.112 1.169 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.434 -2.159 0.456 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.680 -1.412 2.346 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.529 -3.462 0.903 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.779 -2.714 2.800 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.202 -3.735 2.075 1.00 0.00 C ATOM 791 OH TYR A 55 -4.298 -5.032 2.523 1.00 0.00 O ATOM 0 H TYR A 55 -2.687 2.819 -0.019 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.126 0.611 1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.646 0.923 1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.144 0.341 -0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.906 -1.950 -0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.134 -0.615 2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.078 -4.264 0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.306 -2.930 3.718 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.803 -5.051 3.363 1.00 0.00 H new ATOM 801 N VAL A 56 -0.837 -0.612 0.073 1.00 0.00 N ATOM 802 CA VAL A 56 0.113 -1.163 -0.885 1.00 0.00 C ATOM 803 C VAL A 56 0.184 -2.682 -0.777 1.00 0.00 C ATOM 804 O VAL A 56 0.320 -3.230 0.318 1.00 0.00 O ATOM 805 CB VAL A 56 1.522 -0.579 -0.679 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.449 -1.007 -1.808 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.463 0.937 -0.575 1.00 0.00 C ATOM 0 H VAL A 56 -0.888 -1.120 0.956 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.244 -0.888 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 56 1.922 -0.969 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.440 -0.584 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.517 -2.095 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.054 -0.649 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.469 1.331 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.041 1.348 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.837 1.220 0.271 1.00 0.00 H new ATOM 817 N GLY A 57 0.091 -3.358 -1.917 1.00 0.00 N ATOM 818 CA GLY A 57 0.146 -4.807 -1.927 1.00 0.00 C ATOM 819 C GLY A 57 -0.555 -5.407 -3.130 1.00 0.00 C ATOM 820 O GLY A 57 -0.626 -4.785 -4.189 1.00 0.00 O ATOM 0 H GLY A 57 -0.022 -2.927 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.188 -5.128 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.312 -5.191 -1.015 1.00 0.00 H new ATOM 824 N LEU A 58 -1.074 -6.620 -2.966 1.00 0.00 N ATOM 825 CA LEU A 58 -1.773 -7.305 -4.047 1.00 0.00 C ATOM 826 C LEU A 58 -3.282 -7.123 -3.921 1.00 0.00 C ATOM 827 O LEU A 58 -3.798 -6.875 -2.830 1.00 0.00 O ATOM 828 CB LEU A 58 -1.426 -8.795 -4.043 1.00 0.00 C ATOM 829 CG LEU A 58 -0.051 -9.141 -4.618 1.00 0.00 C ATOM 830 CD1 LEU A 58 0.556 -10.322 -3.876 1.00 0.00 C ATOM 831 CD2 LEU A 58 -0.157 -9.441 -6.106 1.00 0.00 C ATOM 0 H LEU A 58 -1.024 -7.148 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.450 -6.866 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.477 -9.162 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.186 -9.331 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 58 0.605 -8.280 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.534 -10.554 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.667 -10.071 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.097 -11.189 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.830 -9.685 -6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.828 -10.286 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.549 -8.567 -6.626 1.00 0.00 H new ATOM 843 N THR A 59 -3.984 -7.246 -5.042 1.00 0.00 N ATOM 844 CA THR A 59 -5.435 -7.096 -5.058 1.00 0.00 C ATOM 845 C THR A 59 -6.105 -8.341 -5.630 1.00 0.00 C ATOM 846 O THR A 59 -5.432 -9.286 -6.040 1.00 0.00 O ATOM 847 CB THR A 59 -5.833 -5.866 -5.875 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.506 -6.045 -7.241 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.161 -4.593 -5.406 1.00 0.00 C ATOM 0 H THR A 59 -3.572 -7.449 -5.952 1.00 0.00 H new ATOM 0 HA THR A 59 -5.773 -6.965 -4.030 1.00 0.00 H new ATOM 0 HB THR A 59 -6.909 -5.763 -5.736 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.099 -5.225 -7.590 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.487 -3.759 -6.028 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.432 -4.399 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.079 -4.703 -5.484 1.00 0.00 H new ATOM 857 N ASP A 60 -7.433 -8.334 -5.654 1.00 0.00 N ATOM 858 CA ASP A 60 -8.194 -9.463 -6.176 1.00 0.00 C ATOM 859 C ASP A 60 -8.892 -9.095 -7.481 1.00 0.00 C ATOM 860 O ASP A 60 -9.088 -9.942 -8.352 1.00 0.00 O ATOM 861 CB ASP A 60 -9.226 -9.929 -5.146 1.00 0.00 C ATOM 862 CG ASP A 60 -9.435 -11.430 -5.176 1.00 0.00 C ATOM 863 OD1 ASP A 60 -8.595 -12.157 -4.604 1.00 0.00 O ATOM 864 OD2 ASP A 60 -10.436 -11.879 -5.770 1.00 0.00 O ATOM 0 H ASP A 60 -8.005 -7.559 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.496 -10.276 -6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.901 -9.630 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.176 -9.429 -5.335 1.00 0.00 H new ATOM 869 N PHE A 61 -9.267 -7.826 -7.610 1.00 0.00 N ATOM 870 CA PHE A 61 -9.944 -7.347 -8.809 1.00 0.00 C ATOM 871 C PHE A 61 -8.997 -7.341 -10.005 1.00 0.00 C ATOM 872 O PHE A 61 -9.417 -7.547 -11.143 1.00 0.00 O ATOM 873 CB PHE A 61 -10.503 -5.941 -8.578 1.00 0.00 C ATOM 874 CG PHE A 61 -9.480 -4.965 -8.072 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.630 -4.314 -8.950 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.370 -4.699 -6.716 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.689 -3.414 -8.487 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.429 -3.801 -6.247 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.588 -3.158 -7.134 1.00 0.00 C ATOM 0 H PHE A 61 -9.113 -7.111 -6.899 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.768 -8.027 -9.026 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.920 -5.566 -9.513 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.324 -5.998 -7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.703 -4.512 -10.009 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.026 -5.198 -6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.033 -2.911 -9.183 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.352 -3.603 -5.188 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.852 -2.456 -6.770 1.00 0.00 H new ATOM 889 N LYS A 62 -7.717 -7.103 -9.739 1.00 0.00 N ATOM 890 CA LYS A 62 -6.711 -7.071 -10.794 1.00 0.00 C ATOM 891 C LYS A 62 -5.399 -7.689 -10.317 1.00 0.00 C ATOM 892 O LYS A 62 -5.042 -7.576 -9.144 1.00 0.00 O ATOM 893 CB LYS A 62 -6.471 -5.632 -11.254 1.00 0.00 C ATOM 894 CG LYS A 62 -7.520 -5.122 -12.230 1.00 0.00 C ATOM 895 CD LYS A 62 -7.416 -3.617 -12.423 1.00 0.00 C ATOM 896 CE LYS A 62 -8.788 -2.974 -12.543 1.00 0.00 C ATOM 897 NZ LYS A 62 -9.217 -2.841 -13.962 1.00 0.00 N ATOM 0 H LYS A 62 -7.352 -6.930 -8.802 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.084 -7.658 -11.634 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.451 -4.979 -10.381 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.489 -5.568 -11.723 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.399 -5.622 -13.191 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.514 -5.375 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.880 -3.178 -11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.833 -3.404 -13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.518 -3.572 -11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.770 -1.989 -12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.157 -2.398 -14.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.534 -2.249 -14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.260 -3.783 -14.401 1.00 0.00 H new ATOM 911 N PRO A 63 -4.660 -8.354 -11.222 1.00 0.00 N ATOM 912 CA PRO A 63 -3.385 -8.990 -10.886 1.00 0.00 C ATOM 913 C PRO A 63 -2.261 -7.975 -10.703 1.00 0.00 C ATOM 914 O PRO A 63 -2.337 -6.854 -11.205 1.00 0.00 O ATOM 915 CB PRO A 63 -3.107 -9.881 -12.096 1.00 0.00 C ATOM 916 CG PRO A 63 -3.791 -9.198 -13.229 1.00 0.00 C ATOM 917 CD PRO A 63 -5.012 -8.538 -12.645 1.00 0.00 C ATOM 0 HA PRO A 63 -3.435 -9.532 -9.941 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.037 -9.978 -12.279 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.498 -10.887 -11.946 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.135 -8.462 -13.693 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.068 -9.912 -14.004 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.225 -7.586 -13.132 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.899 -9.161 -12.761 1.00 0.00 H new ATOM 925 N GLY A 64 -1.219 -8.375 -9.982 1.00 0.00 N ATOM 926 CA GLY A 64 -0.095 -7.488 -9.747 1.00 0.00 C ATOM 927 C GLY A 64 -0.247 -6.683 -8.472 1.00 0.00 C ATOM 928 O GLY A 64 -1.233 -6.831 -7.749 1.00 0.00 O ATOM 0 H GLY A 64 -1.133 -9.298 -9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.822 -8.075 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.009 -6.808 -10.592 1.00 0.00 H new ATOM 932 N TYR A 65 0.732 -5.828 -8.195 1.00 0.00 N ATOM 933 CA TYR A 65 0.704 -4.995 -6.998 1.00 0.00 C ATOM 934 C TYR A 65 0.010 -3.665 -7.275 1.00 0.00 C ATOM 935 O TYR A 65 0.182 -3.075 -8.342 1.00 0.00 O ATOM 936 CB TYR A 65 2.126 -4.745 -6.492 1.00 0.00 C ATOM 937 CG TYR A 65 2.798 -5.981 -5.938 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.427 -6.504 -4.705 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.805 -6.624 -6.647 1.00 0.00 C ATOM 940 CE1 TYR A 65 3.040 -7.633 -4.196 1.00 0.00 C ATOM 941 CE2 TYR A 65 4.422 -7.754 -6.145 1.00 0.00 C ATOM 942 CZ TYR A 65 4.035 -8.254 -4.920 1.00 0.00 C ATOM 943 OH TYR A 65 4.647 -9.379 -4.416 1.00 0.00 O ATOM 0 H TYR A 65 1.555 -5.694 -8.783 1.00 0.00 H new ATOM 0 HA TYR A 65 0.140 -5.525 -6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.729 -4.349 -7.309 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.097 -3.979 -5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.647 -6.020 -4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.111 -6.234 -7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.741 -8.027 -3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.203 -8.243 -6.709 1.00 0.00 H new ATOM 0 HH TYR A 65 4.938 -9.952 -5.156 1.00 0.00 H new ATOM 953 N TRP A 66 -0.774 -3.200 -6.309 1.00 0.00 N ATOM 954 CA TRP A 66 -1.494 -1.939 -6.449 1.00 0.00 C ATOM 955 C TRP A 66 -1.219 -1.021 -5.263 1.00 0.00 C ATOM 956 O TRP A 66 -0.859 -1.481 -4.180 1.00 0.00 O ATOM 957 CB TRP A 66 -2.997 -2.198 -6.572 1.00 0.00 C ATOM 958 CG TRP A 66 -3.395 -2.773 -7.897 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.506 -4.094 -8.218 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.734 -2.041 -9.081 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.894 -4.231 -9.529 1.00 0.00 N ATOM 962 CE2 TRP A 66 -4.039 -2.985 -10.080 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.809 -0.681 -9.394 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.415 -2.610 -11.368 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.181 -0.311 -10.673 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.480 -1.272 -11.646 1.00 0.00 C ATOM 0 H TRP A 66 -0.927 -3.677 -5.420 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.142 -1.446 -7.355 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.307 -2.880 -5.780 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.534 -1.262 -6.414 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.316 -4.913 -7.540 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.049 -5.116 -10.013 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.580 0.068 -8.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.647 -3.349 -12.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.242 0.737 -10.926 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.768 -0.951 -12.636 1.00 0.00 H new ATOM 977 N VAL A 67 -1.392 0.279 -5.476 1.00 0.00 N ATOM 978 CA VAL A 67 -1.163 1.263 -4.424 1.00 0.00 C ATOM 979 C VAL A 67 -2.274 2.307 -4.396 1.00 0.00 C ATOM 980 O VAL A 67 -2.429 3.087 -5.336 1.00 0.00 O ATOM 981 CB VAL A 67 0.191 1.974 -4.604 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.492 2.867 -3.409 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.303 0.957 -4.816 1.00 0.00 C ATOM 0 H VAL A 67 -1.690 0.676 -6.367 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.156 0.719 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 67 0.134 2.605 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.453 3.360 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.291 3.619 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.530 2.262 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.253 1.477 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.362 0.297 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.092 0.367 -5.708 1.00 0.00 H new ATOM 993 N GLY A 68 -3.043 2.317 -3.312 1.00 0.00 N ATOM 994 CA GLY A 68 -4.128 3.271 -3.183 1.00 0.00 C ATOM 995 C GLY A 68 -3.635 4.666 -2.855 1.00 0.00 C ATOM 996 O GLY A 68 -2.904 4.861 -1.884 1.00 0.00 O ATOM 0 H GLY A 68 -2.934 1.682 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.696 3.299 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.811 2.937 -2.402 1.00 0.00 H new ATOM 1000 N VAL A 69 -4.035 5.639 -3.667 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.628 7.023 -3.458 1.00 0.00 C ATOM 1002 C VAL A 69 -4.812 7.973 -3.607 1.00 0.00 C ATOM 1003 O VAL A 69 -5.553 7.909 -4.588 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.523 7.440 -4.446 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.973 8.811 -4.086 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.413 6.401 -4.475 1.00 0.00 C ATOM 0 H VAL A 69 -4.640 5.494 -4.475 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.239 7.087 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.957 7.501 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.193 9.088 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.776 9.547 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.554 8.782 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.641 6.713 -5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.979 6.304 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.822 5.440 -4.787 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.984 8.853 -2.627 1.00 0.00 N ATOM 1017 CA ARG A 70 -6.078 9.817 -2.648 1.00 0.00 C ATOM 1018 C ARG A 70 -5.581 11.195 -3.075 1.00 0.00 C ATOM 1019 O ARG A 70 -4.515 11.640 -2.650 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.736 9.905 -1.271 1.00 0.00 C ATOM 1021 CG ARG A 70 -8.029 10.703 -1.264 1.00 0.00 C ATOM 1022 CD ARG A 70 -8.172 11.521 0.010 1.00 0.00 C ATOM 1023 NE ARG A 70 -7.474 12.802 -0.081 1.00 0.00 N ATOM 1024 CZ ARG A 70 -7.719 13.838 0.717 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -8.642 13.750 1.666 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -7.040 14.967 0.566 1.00 0.00 N ATOM 0 H ARG A 70 -4.380 8.919 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.816 9.475 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.939 8.897 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.035 10.359 -0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.053 11.367 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.877 10.025 -1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.229 11.697 0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.778 10.952 0.852 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.757 12.908 -0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.168 12.885 1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.825 14.548 2.275 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.330 15.041 -0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.228 15.761 1.178 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.359 11.865 -3.918 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.998 13.192 -4.402 1.00 0.00 C ATOM 1042 C TYR A 71 -6.672 14.277 -3.569 1.00 0.00 C ATOM 1043 O TYR A 71 -7.731 14.055 -2.981 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.391 13.346 -5.872 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.752 12.320 -6.781 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.437 12.464 -7.208 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.463 11.207 -7.212 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.851 11.528 -8.039 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.883 10.267 -8.043 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.578 10.432 -8.453 1.00 0.00 C ATOM 1051 OH TYR A 71 -3.996 9.498 -9.279 1.00 0.00 O ATOM 0 H TYR A 71 -7.244 11.511 -4.280 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.918 13.304 -4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.475 13.271 -5.959 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.112 14.344 -6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.864 13.321 -6.885 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.486 11.074 -6.892 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.828 11.654 -8.363 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.450 9.408 -8.369 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.642 8.788 -9.477 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.052 15.451 -3.521 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.594 16.572 -2.760 1.00 0.00 C ATOM 1063 C ASP A 72 -7.977 16.958 -3.272 1.00 0.00 C ATOM 1064 O ASP A 72 -8.926 17.075 -2.497 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.650 17.774 -2.841 1.00 0.00 C ATOM 1066 CG ASP A 72 -4.712 17.854 -1.653 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -5.208 17.959 -0.512 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -3.482 17.811 -1.864 1.00 0.00 O ATOM 0 H ASP A 72 -5.174 15.652 -4.000 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.687 16.263 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.065 17.712 -3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.237 18.690 -2.899 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.084 17.154 -4.582 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.352 17.526 -5.198 1.00 0.00 C ATOM 1075 C GLU A 73 -10.037 16.308 -5.812 1.00 0.00 C ATOM 1076 O GLU A 73 -9.424 15.251 -5.958 1.00 0.00 O ATOM 1077 CB GLU A 73 -9.128 18.594 -6.271 1.00 0.00 C ATOM 1078 CG GLU A 73 -9.134 20.013 -5.728 1.00 0.00 C ATOM 1079 CD GLU A 73 -7.739 20.588 -5.581 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -6.871 20.262 -6.418 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -7.514 21.364 -4.627 1.00 0.00 O ATOM 0 H GLU A 73 -7.308 17.061 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.000 17.932 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.174 18.407 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.904 18.502 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.717 20.650 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.632 20.025 -4.758 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.325 16.440 -6.178 1.00 0.00 N ATOM 1089 CA PRO A 74 -12.096 15.344 -6.775 1.00 0.00 C ATOM 1090 C PRO A 74 -11.519 14.894 -8.116 1.00 0.00 C ATOM 1091 O PRO A 74 -12.072 15.191 -9.175 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.496 15.943 -6.970 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.536 17.140 -6.081 1.00 0.00 C ATOM 1094 CD PRO A 74 -12.130 17.662 -6.033 1.00 0.00 C ATOM 0 HA PRO A 74 -12.087 14.455 -6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.665 16.220 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.272 15.226 -6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.220 17.894 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.889 16.875 -5.084 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.935 18.373 -6.836 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.921 18.175 -5.095 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.401 14.178 -8.061 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.746 13.689 -9.271 1.00 0.00 C ATOM 1104 C LEU A 75 -9.744 12.162 -9.318 1.00 0.00 C ATOM 1105 O LEU A 75 -9.690 11.568 -10.394 1.00 0.00 O ATOM 1106 CB LEU A 75 -8.310 14.213 -9.344 1.00 0.00 C ATOM 1107 CG LEU A 75 -8.179 15.694 -9.701 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -6.778 16.197 -9.389 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -8.513 15.919 -11.168 1.00 0.00 C ATOM 0 H LEU A 75 -9.929 13.923 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.308 14.058 -10.129 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.828 14.043 -8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.763 13.627 -10.082 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.888 16.258 -9.096 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.704 17.253 -9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.574 16.071 -8.326 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.050 15.629 -9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.415 16.978 -11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.828 15.343 -11.790 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.536 15.597 -11.362 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.802 11.533 -8.147 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.805 10.081 -8.083 1.00 0.00 C ATOM 1123 C GLY A 76 -10.898 9.461 -8.932 1.00 0.00 C ATOM 1124 O GLY A 76 -11.817 10.150 -9.373 1.00 0.00 O ATOM 0 H GLY A 76 -9.847 12.002 -7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.837 9.705 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.933 9.767 -7.047 1.00 0.00 H new ATOM 1128 N LYS A 77 -10.795 8.156 -9.161 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.781 7.441 -9.963 1.00 0.00 C ATOM 1130 C LYS A 77 -12.497 6.382 -9.130 1.00 0.00 C ATOM 1131 O LYS A 77 -13.706 6.189 -9.260 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.108 6.786 -11.171 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.445 7.779 -12.110 1.00 0.00 C ATOM 1134 CD LYS A 77 -11.351 8.134 -13.278 1.00 0.00 C ATOM 1135 CE LYS A 77 -11.258 7.101 -14.389 1.00 0.00 C ATOM 1136 NZ LYS A 77 -12.585 6.833 -15.011 1.00 0.00 N ATOM 0 H LYS A 77 -10.039 7.572 -8.803 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.519 8.162 -10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.360 6.076 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.852 6.215 -11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.187 8.684 -11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.513 7.358 -12.487 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.382 8.205 -12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.077 9.114 -13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.563 7.451 -15.153 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.851 6.173 -13.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.479 6.123 -15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.241 6.475 -14.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.963 7.713 -15.416 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.742 5.698 -8.276 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.306 4.658 -7.423 1.00 0.00 C ATOM 1152 C ASN A 78 -12.783 5.241 -6.097 1.00 0.00 C ATOM 1153 O ASN A 78 -12.458 6.378 -5.754 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.269 3.563 -7.167 1.00 0.00 C ATOM 1155 CG ASN A 78 -10.602 3.090 -8.445 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -9.380 3.141 -8.576 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -11.406 2.625 -9.394 1.00 0.00 N ATOM 0 H ASN A 78 -10.740 5.845 -8.156 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.163 4.225 -7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.510 3.938 -6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.751 2.717 -6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.015 2.291 -10.275 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.414 2.601 -9.242 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.557 4.455 -5.356 1.00 0.00 N ATOM 1165 CA ASP A 79 -14.080 4.893 -4.067 1.00 0.00 C ATOM 1166 C ASP A 79 -13.154 4.470 -2.931 1.00 0.00 C ATOM 1167 O ASP A 79 -13.024 5.171 -1.928 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.479 4.319 -3.840 1.00 0.00 C ATOM 1169 CG ASP A 79 -16.200 4.992 -2.688 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.908 4.648 -1.523 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -17.056 5.862 -2.950 1.00 0.00 O ATOM 0 H ASP A 79 -13.836 3.512 -5.626 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.138 5.981 -4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.068 4.433 -4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.402 3.250 -3.642 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.511 3.318 -3.098 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.604 2.822 -2.080 1.00 0.00 C ATOM 1178 C GLY A 80 -11.797 1.343 -1.803 1.00 0.00 C ATOM 1179 O GLY A 80 -10.858 0.652 -1.410 1.00 0.00 O ATOM 0 H GLY A 80 -12.602 2.720 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.576 2.998 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.755 3.384 -1.158 1.00 0.00 H new ATOM 1183 N SER A 81 -13.017 0.858 -2.010 1.00 0.00 N ATOM 1184 CA SER A 81 -13.330 -0.548 -1.781 1.00 0.00 C ATOM 1185 C SER A 81 -13.869 -1.199 -3.051 1.00 0.00 C ATOM 1186 O SER A 81 -14.779 -0.674 -3.691 1.00 0.00 O ATOM 1187 CB SER A 81 -14.352 -0.685 -0.650 1.00 0.00 C ATOM 1188 OG SER A 81 -15.644 -0.286 -1.078 1.00 0.00 O ATOM 0 H SER A 81 -13.805 1.418 -2.336 1.00 0.00 H new ATOM 0 HA SER A 81 -12.410 -1.059 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.383 -1.719 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.043 -0.076 0.199 1.00 0.00 H new ATOM 0 HG SER A 81 -16.279 -0.385 -0.338 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.302 -2.347 -3.407 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.725 -3.070 -4.600 1.00 0.00 C ATOM 1196 C VAL A 82 -13.920 -4.553 -4.304 1.00 0.00 C ATOM 1197 O VAL A 82 -13.067 -5.190 -3.685 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.704 -2.918 -5.743 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -13.253 -3.507 -7.033 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -12.329 -1.455 -5.933 1.00 0.00 C ATOM 0 H VAL A 82 -12.549 -2.796 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.675 -2.635 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.802 -3.469 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.517 -3.390 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.465 -4.566 -6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -14.171 -2.988 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.607 -1.367 -6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.222 -0.879 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.890 -1.070 -5.013 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.048 -5.098 -4.748 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.355 -6.506 -4.531 1.00 0.00 C ATOM 1212 C ASN A 83 -15.419 -6.824 -3.040 1.00 0.00 C ATOM 1213 O ASN A 83 -14.855 -7.817 -2.579 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.305 -7.389 -5.210 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.674 -7.729 -6.641 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.506 -8.865 -7.085 1.00 0.00 O ATOM 1217 ND2 ASN A 83 -15.182 -6.743 -7.372 1.00 0.00 N ATOM 0 H ASN A 83 -15.765 -4.585 -5.261 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.331 -6.713 -4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.342 -6.879 -5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.185 -8.310 -4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -15.450 -6.913 -8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.304 -5.816 -6.964 1.00 0.00 H new ATOM 1224 N GLY A 84 -16.112 -5.974 -2.289 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.239 -6.181 -0.858 1.00 0.00 C ATOM 1226 C GLY A 84 -14.899 -6.166 -0.149 1.00 0.00 C ATOM 1227 O GLY A 84 -14.733 -6.802 0.892 1.00 0.00 O ATOM 0 H GLY A 84 -16.588 -5.145 -2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.878 -5.405 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.733 -7.135 -0.674 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.941 -5.438 -0.712 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.608 -5.343 -0.128 1.00 0.00 C ATOM 1233 C LYS A 85 -12.191 -3.885 0.040 1.00 0.00 C ATOM 1234 O LYS A 85 -11.961 -3.178 -0.940 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.591 -6.078 -1.002 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.179 -6.060 -0.440 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.452 -7.365 -0.717 1.00 0.00 C ATOM 1238 CE LYS A 85 -7.967 -7.252 -0.411 1.00 0.00 C ATOM 1239 NZ LYS A 85 -7.304 -8.585 -0.371 1.00 0.00 N ATOM 0 H LYS A 85 -14.063 -4.905 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.636 -5.811 0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.911 -7.113 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.584 -5.627 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.622 -5.232 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.217 -5.884 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.889 -8.161 -0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.589 -7.644 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.487 -6.631 -1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.831 -6.750 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.293 -8.464 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.744 -9.170 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.411 -9.054 -1.293 1.00 0.00 H new ATOM 1253 N ARG A 86 -12.097 -3.442 1.291 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.708 -2.069 1.588 1.00 0.00 C ATOM 1255 C ARG A 86 -10.190 -1.936 1.656 1.00 0.00 C ATOM 1256 O ARG A 86 -9.495 -2.857 2.084 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.332 -1.615 2.908 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.648 -0.129 2.951 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.830 0.363 4.379 1.00 0.00 C ATOM 1260 NE ARG A 86 -14.238 0.570 4.710 1.00 0.00 N ATOM 1261 CZ ARG A 86 -14.657 1.278 5.757 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -13.780 1.847 6.575 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -15.955 1.418 5.986 1.00 0.00 N ATOM 0 H ARG A 86 -12.285 -4.015 2.114 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.074 -1.431 0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.249 -2.178 3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.652 -1.857 3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.843 0.429 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.555 0.068 2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.398 -0.361 5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.285 1.297 4.513 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.941 0.147 4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.780 1.743 6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.106 2.388 7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.633 0.983 5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.276 1.960 6.788 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.682 -0.784 1.232 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.246 -0.529 1.245 1.00 0.00 C ATOM 1279 C TYR A 87 -7.912 0.659 2.141 1.00 0.00 C ATOM 1280 O TYR A 87 -7.042 0.572 3.008 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.740 -0.270 -0.174 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.730 -1.502 -1.049 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.863 -1.886 -1.754 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.586 -2.283 -1.171 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -8.858 -3.013 -2.555 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.574 -3.410 -1.970 1.00 0.00 C ATOM 1287 CZ TYR A 87 -7.712 -3.770 -2.659 1.00 0.00 C ATOM 1288 OH TYR A 87 -7.703 -4.893 -3.455 1.00 0.00 O ATOM 0 H TYR A 87 -10.244 -0.011 0.875 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.749 -1.413 1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.366 0.491 -0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.730 0.136 -0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.763 -1.294 -1.675 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.692 -2.004 -0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.748 -3.298 -3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.677 -4.006 -2.054 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.568 -4.981 -3.907 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.610 1.770 1.928 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.388 2.976 2.717 1.00 0.00 C ATOM 1300 C PHE A 88 -9.712 3.654 3.055 1.00 0.00 C ATOM 1301 O PHE A 88 -10.779 3.199 2.642 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.483 3.947 1.957 1.00 0.00 C ATOM 1303 CG PHE A 88 -7.878 4.137 0.520 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -8.779 5.126 0.160 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.346 3.326 -0.470 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -9.143 5.302 -1.161 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -7.707 3.498 -1.793 1.00 0.00 C ATOM 1308 CZ PHE A 88 -8.606 4.487 -2.139 1.00 0.00 C ATOM 0 H PHE A 88 -9.334 1.860 1.215 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.899 2.688 3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.498 4.914 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.457 3.582 1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.201 5.766 0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.642 2.551 -0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.847 6.076 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.286 2.859 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 88 -8.889 4.623 -3.172 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.635 4.747 3.810 1.00 0.00 N ATOM 1319 CA GLU A 89 -10.826 5.489 4.204 1.00 0.00 C ATOM 1320 C GLU A 89 -10.969 6.765 3.382 1.00 0.00 C ATOM 1321 O GLU A 89 -10.304 7.766 3.649 1.00 0.00 O ATOM 1322 CB GLU A 89 -10.770 5.831 5.694 1.00 0.00 C ATOM 1323 CG GLU A 89 -10.516 4.626 6.585 1.00 0.00 C ATOM 1324 CD GLU A 89 -9.054 4.477 6.962 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -8.547 5.329 7.720 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -8.418 3.507 6.498 1.00 0.00 O ATOM 0 H GLU A 89 -8.760 5.137 4.160 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.695 4.858 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.984 6.567 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.711 6.297 5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.114 4.717 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.849 3.723 6.073 1.00 0.00 H new ATOM 1333 N CYS A 90 -11.843 6.723 2.381 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.075 7.876 1.519 1.00 0.00 C ATOM 1335 C CYS A 90 -13.440 7.787 0.847 1.00 0.00 C ATOM 1336 O CYS A 90 -14.197 6.844 1.079 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.976 7.977 0.459 1.00 0.00 C ATOM 1338 SG CYS A 90 -9.466 8.787 1.036 1.00 0.00 S ATOM 0 H CYS A 90 -12.402 5.903 2.147 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.054 8.772 2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.728 6.974 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.364 8.525 -0.400 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.344 8.614 2.319 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.749 8.774 0.012 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.025 8.805 -0.695 1.00 0.00 C ATOM 1346 C GLN A 91 -14.829 8.535 -2.184 1.00 0.00 C ATOM 1347 O GLN A 91 -13.727 8.211 -2.627 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.709 10.159 -0.495 1.00 0.00 C ATOM 1349 CG GLN A 91 -17.194 10.050 -0.187 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.982 11.244 -0.686 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -18.265 12.174 0.070 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -18.343 11.224 -1.963 1.00 0.00 N ATOM 0 H GLN A 91 -13.134 9.562 -0.192 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.660 8.021 -0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.215 10.689 0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.576 10.760 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.590 9.142 -0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -17.332 9.953 0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -18.087 10.433 -2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.877 12.000 -2.354 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.905 8.671 -2.951 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.852 8.442 -4.391 1.00 0.00 C ATOM 1363 C ALA A 92 -15.227 9.630 -5.112 1.00 0.00 C ATOM 1364 O ALA A 92 -15.325 10.769 -4.655 1.00 0.00 O ATOM 1365 CB ALA A 92 -17.247 8.168 -4.932 1.00 0.00 C ATOM 0 H ALA A 92 -16.825 8.939 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.225 7.569 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.193 7.999 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.659 7.284 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.890 9.025 -4.731 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.583 9.358 -6.243 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.941 10.405 -7.029 1.00 0.00 C ATOM 1373 C LYS A 93 -12.854 11.104 -6.218 1.00 0.00 C ATOM 1374 O LYS A 93 -12.667 12.316 -6.327 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.978 11.425 -7.501 1.00 0.00 C ATOM 1376 CG LYS A 93 -16.160 10.801 -8.225 1.00 0.00 C ATOM 1377 CD LYS A 93 -17.105 11.860 -8.768 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.798 12.618 -7.646 1.00 0.00 C ATOM 1379 NZ LYS A 93 -17.182 13.953 -7.414 1.00 0.00 N ATOM 0 H LYS A 93 -14.492 8.421 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.477 9.940 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.344 11.984 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.494 12.142 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.799 10.180 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.701 10.145 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.549 12.560 -9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.853 11.389 -9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.853 12.743 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.750 12.032 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.553 14.358 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -16.150 13.851 -7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -17.412 14.584 -8.208 1.00 0.00 H new ATOM 1393 N TYR A 94 -12.140 10.333 -5.407 1.00 0.00 N ATOM 1394 CA TYR A 94 -11.070 10.877 -4.578 1.00 0.00 C ATOM 1395 C TYR A 94 -9.902 9.901 -4.486 1.00 0.00 C ATOM 1396 O TYR A 94 -8.753 10.267 -4.734 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.594 11.195 -3.176 1.00 0.00 C ATOM 1398 CG TYR A 94 -12.315 12.522 -3.085 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.778 13.666 -3.661 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.531 12.629 -2.422 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -12.433 14.880 -3.579 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -14.192 13.839 -2.337 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.640 14.961 -2.916 1.00 0.00 C ATOM 1404 OH TYR A 94 -14.295 16.169 -2.834 1.00 0.00 O ATOM 0 H TYR A 94 -12.282 9.328 -5.305 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.716 11.796 -5.044 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -12.271 10.401 -2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.758 11.197 -2.477 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.833 13.606 -4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.967 11.752 -1.966 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -12.002 15.761 -4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -15.137 13.905 -1.819 1.00 0.00 H new ATOM 0 HH TYR A 94 -15.131 16.055 -2.336 1.00 0.00 H new ATOM 1414 N GLY A 95 -10.204 8.657 -4.130 1.00 0.00 N ATOM 1415 CA GLY A 95 -9.169 7.647 -4.011 1.00 0.00 C ATOM 1416 C GLY A 95 -9.060 6.780 -5.251 1.00 0.00 C ATOM 1417 O GLY A 95 -9.982 6.034 -5.578 1.00 0.00 O ATOM 0 H GLY A 95 -11.147 8.330 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.211 8.133 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.379 7.016 -3.147 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.928 6.878 -5.941 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.701 6.097 -7.151 1.00 0.00 C ATOM 1423 C ALA A 96 -6.725 4.955 -6.890 1.00 0.00 C ATOM 1424 O ALA A 96 -5.979 4.973 -5.912 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.184 6.992 -8.267 1.00 0.00 C ATOM 0 H ALA A 96 -7.154 7.490 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.652 5.664 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.019 6.396 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.917 7.770 -8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.245 7.452 -7.959 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.736 3.962 -7.773 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.851 2.810 -7.639 1.00 0.00 C ATOM 1433 C PHE A 97 -4.808 2.792 -8.752 1.00 0.00 C ATOM 1434 O PHE A 97 -5.132 2.565 -9.917 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.661 1.513 -7.664 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.350 1.211 -6.363 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.622 1.091 -5.191 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.725 1.049 -6.314 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -7.252 0.815 -3.993 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.362 0.772 -5.119 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.624 0.655 -3.957 1.00 0.00 C ATOM 0 H PHE A 97 -7.348 3.932 -8.589 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.334 2.890 -6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.408 1.576 -8.455 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.998 0.685 -7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.549 1.215 -5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.306 1.140 -7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.673 0.724 -3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.434 0.647 -5.094 1.00 0.00 H new ATOM 0 HZ PHE A 97 -9.119 0.439 -3.022 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.554 3.035 -8.384 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.462 3.047 -9.350 1.00 0.00 C ATOM 1453 C VAL A 98 -1.400 2.013 -8.992 1.00 0.00 C ATOM 1454 O VAL A 98 -1.524 1.301 -7.996 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.803 4.437 -9.436 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.681 5.398 -10.224 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.516 4.980 -8.045 1.00 0.00 C ATOM 0 H VAL A 98 -3.269 3.226 -7.423 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.894 2.798 -10.319 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.854 4.336 -9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.199 6.374 -10.274 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.827 5.013 -11.233 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.648 5.496 -9.730 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.051 5.962 -8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.449 5.066 -7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.842 4.302 -7.522 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.358 1.933 -9.813 1.00 0.00 N ATOM 1468 CA LYS A 99 0.724 0.982 -9.584 1.00 0.00 C ATOM 1469 C LYS A 99 1.984 1.693 -9.094 1.00 0.00 C ATOM 1470 O LYS A 99 2.223 2.851 -9.429 1.00 0.00 O ATOM 1471 CB LYS A 99 1.029 0.206 -10.867 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.214 -0.290 -11.588 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.834 -1.481 -10.873 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.150 -2.782 -11.262 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.105 -3.922 -11.296 1.00 0.00 N ATOM 0 H LYS A 99 -0.240 2.515 -10.642 1.00 0.00 H new ATOM 0 HA LYS A 99 0.401 0.284 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.599 0.845 -11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.663 -0.647 -10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.944 0.517 -11.654 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.044 -0.571 -12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.760 -1.338 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.895 -1.540 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.315 -2.669 -12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.649 -2.999 -10.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.717 -4.716 -10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.013 -3.627 -10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.254 -4.221 -12.281 1.00 0.00 H new ATOM 1489 N PRO A 100 2.810 0.998 -8.286 1.00 0.00 N ATOM 1490 CA PRO A 100 4.050 1.566 -7.755 1.00 0.00 C ATOM 1491 C PRO A 100 4.846 2.267 -8.843 1.00 0.00 C ATOM 1492 O PRO A 100 5.221 3.431 -8.707 1.00 0.00 O ATOM 1493 CB PRO A 100 4.801 0.341 -7.235 1.00 0.00 C ATOM 1494 CG PRO A 100 3.730 -0.627 -6.867 1.00 0.00 C ATOM 1495 CD PRO A 100 2.600 -0.392 -7.837 1.00 0.00 C ATOM 0 HA PRO A 100 3.876 2.322 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.463 -0.071 -7.996 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.422 0.592 -6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.093 -1.653 -6.933 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.400 -0.471 -5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.636 -1.092 -8.671 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.629 -0.516 -7.358 1.00 0.00 H new ATOM 1503 N SER A 101 5.076 1.550 -9.940 1.00 0.00 N ATOM 1504 CA SER A 101 5.799 2.108 -11.072 1.00 0.00 C ATOM 1505 C SER A 101 5.106 3.377 -11.547 1.00 0.00 C ATOM 1506 O SER A 101 5.729 4.252 -12.150 1.00 0.00 O ATOM 1507 CB SER A 101 5.877 1.090 -12.212 1.00 0.00 C ATOM 1508 OG SER A 101 4.673 1.065 -12.957 1.00 0.00 O ATOM 0 H SER A 101 4.772 0.585 -10.066 1.00 0.00 H new ATOM 0 HA SER A 101 6.814 2.350 -10.758 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.710 1.339 -12.870 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.077 0.099 -11.805 1.00 0.00 H new ATOM 0 HG SER A 101 4.749 0.408 -13.680 1.00 0.00 H new ATOM 1514 N ALA A 102 3.809 3.479 -11.251 1.00 0.00 N ATOM 1515 CA ALA A 102 3.032 4.649 -11.627 1.00 0.00 C ATOM 1516 C ALA A 102 3.071 5.700 -10.520 1.00 0.00 C ATOM 1517 O ALA A 102 2.684 6.849 -10.730 1.00 0.00 O ATOM 1518 CB ALA A 102 1.595 4.253 -11.935 1.00 0.00 C ATOM 0 H ALA A 102 3.280 2.763 -10.752 1.00 0.00 H new ATOM 0 HA ALA A 102 3.473 5.082 -12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.025 5.139 -12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.583 3.539 -12.758 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.146 3.797 -11.053 1.00 0.00 H new ATOM 1524 N VAL A 103 3.545 5.300 -9.340 1.00 0.00 N ATOM 1525 CA VAL A 103 3.635 6.211 -8.205 1.00 0.00 C ATOM 1526 C VAL A 103 5.079 6.627 -7.948 1.00 0.00 C ATOM 1527 O VAL A 103 5.946 5.783 -7.713 1.00 0.00 O ATOM 1528 CB VAL A 103 3.059 5.574 -6.926 1.00 0.00 C ATOM 1529 CG1 VAL A 103 2.974 6.603 -5.808 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.696 4.961 -7.202 1.00 0.00 C ATOM 0 H VAL A 103 3.871 4.353 -9.148 1.00 0.00 H new ATOM 0 HA VAL A 103 3.046 7.092 -8.459 1.00 0.00 H new ATOM 0 HB VAL A 103 3.730 4.778 -6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.565 6.135 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.970 6.989 -5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.326 7.423 -6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.305 4.516 -6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.012 5.736 -7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.792 4.191 -7.968 1.00 0.00 H new ATOM 1540 N THR A 104 5.333 7.931 -7.994 1.00 0.00 N ATOM 1541 CA THR A 104 6.674 8.457 -7.767 1.00 0.00 C ATOM 1542 C THR A 104 6.769 9.139 -6.406 1.00 0.00 C ATOM 1543 O THR A 104 6.053 10.100 -6.130 1.00 0.00 O ATOM 1544 CB THR A 104 7.048 9.446 -8.871 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.652 8.955 -10.140 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.532 9.738 -8.935 1.00 0.00 C ATOM 0 H THR A 104 4.628 8.642 -8.186 1.00 0.00 H new ATOM 0 HA THR A 104 7.373 7.621 -7.783 1.00 0.00 H new ATOM 0 HB THR A 104 6.523 10.368 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.898 9.603 -10.833 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.729 10.447 -9.740 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.860 10.165 -7.987 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.077 8.813 -9.124 1.00 0.00 H new ATOM 1554 N VAL A 105 7.663 8.636 -5.559 1.00 0.00 N ATOM 1555 CA VAL A 105 7.853 9.198 -4.227 1.00 0.00 C ATOM 1556 C VAL A 105 8.547 10.554 -4.297 1.00 0.00 C ATOM 1557 O VAL A 105 9.468 10.751 -5.090 1.00 0.00 O ATOM 1558 CB VAL A 105 8.683 8.258 -3.331 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.633 8.718 -1.883 1.00 0.00 C ATOM 1560 CG2 VAL A 105 8.191 6.824 -3.460 1.00 0.00 C ATOM 0 H VAL A 105 8.266 7.841 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 105 6.861 9.320 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 105 9.721 8.293 -3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 105 9.225 8.042 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 105 9.039 9.727 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.600 8.715 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 105 8.789 6.175 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 105 7.146 6.769 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.285 6.499 -4.496 1.00 0.00 H new ATOM 1570 N GLY A 106 8.099 11.487 -3.463 1.00 0.00 N ATOM 1571 CA GLY A 106 8.688 12.813 -3.448 1.00 0.00 C ATOM 1572 C GLY A 106 8.942 13.319 -2.041 1.00 0.00 C ATOM 1573 O GLY A 106 8.943 14.526 -1.799 1.00 0.00 O ATOM 0 H GLY A 106 7.339 11.348 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.628 12.796 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.026 13.507 -3.966 1.00 0.00 H new