USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 914 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 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00436) USER MOD Single : A 18 LYS NZ :NH3+ 146:sc= -0.324 (180deg=-1.62!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -130:sc= -3.58 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0508) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.85 X(o=-2.9,f=-2.9) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -128:sc= 0.00182 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.042) USER MOD Single : A 89 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0189) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.092 X(o=-0.092,f=-0.45) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.506 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 155:sc= -0.0726 (180deg=-0.491) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -171:sc= -0.14 (180deg=-0.296) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.28) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -9.327 -13.325 -9.969 1.00 0.00 N ATOM 78 CA ILE A 6 -8.746 -12.543 -8.887 1.00 0.00 C ATOM 79 C ILE A 6 -9.516 -11.245 -8.676 1.00 0.00 C ATOM 80 O ILE A 6 -10.348 -10.864 -9.501 1.00 0.00 O ATOM 81 CB ILE A 6 -7.270 -12.211 -9.174 1.00 0.00 C ATOM 82 CG1 ILE A 6 -7.140 -11.444 -10.492 1.00 0.00 C ATOM 83 CG2 ILE A 6 -6.438 -13.485 -9.208 1.00 0.00 C ATOM 84 CD1 ILE A 6 -6.675 -10.015 -10.315 1.00 0.00 C ATOM 0 HA ILE A 6 -8.808 -13.149 -7.983 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.894 -11.576 -8.372 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.438 -11.968 -11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.105 -11.444 -11.000 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.397 -13.234 -9.412 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.508 -13.991 -8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.813 -14.144 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.605 -9.532 -11.290 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.388 -9.475 -9.692 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.696 -10.008 -9.836 1.00 0.00 H new ATOM 96 N ILE A 7 -9.237 -10.565 -7.567 1.00 0.00 N ATOM 97 CA ILE A 7 -9.908 -9.309 -7.254 1.00 0.00 C ATOM 98 C ILE A 7 -8.909 -8.155 -7.169 1.00 0.00 C ATOM 99 O ILE A 7 -7.938 -8.220 -6.411 1.00 0.00 O ATOM 100 CB ILE A 7 -10.678 -9.407 -5.924 1.00 0.00 C ATOM 101 CG1 ILE A 7 -11.550 -10.664 -5.908 1.00 0.00 C ATOM 102 CG2 ILE A 7 -11.527 -8.162 -5.707 1.00 0.00 C ATOM 103 CD1 ILE A 7 -10.923 -11.825 -5.167 1.00 0.00 C ATOM 0 H ILE A 7 -8.552 -10.863 -6.872 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.612 -9.114 -8.063 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.958 -9.476 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -12.509 -10.425 -5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.755 -10.967 -6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.064 -8.248 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.883 -7.283 -5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -12.242 -8.062 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.596 -12.682 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.977 -12.090 -5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.743 -11.540 -4.130 1.00 0.00 H new ATOM 115 N PRO A 8 -9.132 -7.081 -7.952 1.00 0.00 N ATOM 116 CA PRO A 8 -8.252 -5.916 -7.973 1.00 0.00 C ATOM 117 C PRO A 8 -8.628 -4.871 -6.928 1.00 0.00 C ATOM 118 O PRO A 8 -9.809 -4.623 -6.684 1.00 0.00 O ATOM 119 CB PRO A 8 -8.476 -5.368 -9.378 1.00 0.00 C ATOM 120 CG PRO A 8 -9.907 -5.673 -9.674 1.00 0.00 C ATOM 121 CD PRO A 8 -10.259 -6.918 -8.892 1.00 0.00 C ATOM 0 HA PRO A 8 -7.218 -6.172 -7.743 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.281 -4.296 -9.422 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.811 -5.843 -10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.548 -4.840 -9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.055 -5.832 -10.742 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.206 -6.803 -8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.362 -7.784 -9.546 1.00 0.00 H new ATOM 129 N ILE A 9 -7.620 -4.244 -6.326 1.00 0.00 N ATOM 130 CA ILE A 9 -7.846 -3.221 -5.333 1.00 0.00 C ATOM 131 C ILE A 9 -6.855 -2.079 -5.510 1.00 0.00 C ATOM 132 O ILE A 9 -5.864 -2.183 -6.236 1.00 0.00 O ATOM 133 CB ILE A 9 -7.734 -3.755 -3.888 1.00 0.00 C ATOM 134 CG1 ILE A 9 -8.055 -5.252 -3.830 1.00 0.00 C ATOM 135 CG2 ILE A 9 -8.659 -2.974 -2.965 1.00 0.00 C ATOM 136 CD1 ILE A 9 -9.515 -5.572 -4.074 1.00 0.00 C ATOM 0 H ILE A 9 -6.636 -4.435 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.866 -2.868 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.706 -3.618 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.449 -5.773 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.766 -5.639 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.571 -3.360 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.381 -1.920 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.689 -3.082 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.666 -6.650 -4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.127 -5.080 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.805 -5.217 -5.063 1.00 0.00 H new ATOM 148 N ALA A 10 -7.138 -1.005 -4.818 1.00 0.00 N ATOM 149 CA ALA A 10 -6.316 0.201 -4.842 1.00 0.00 C ATOM 150 C ALA A 10 -6.118 0.715 -6.266 1.00 0.00 C ATOM 151 O ALA A 10 -6.255 -0.031 -7.234 1.00 0.00 O ATOM 152 CB ALA A 10 -4.977 -0.055 -4.172 1.00 0.00 C ATOM 0 H ALA A 10 -7.954 -0.932 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.843 0.975 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.377 0.855 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.139 -0.352 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.452 -0.851 -4.700 1.00 0.00 H new ATOM 158 N GLU A 11 -5.798 2.000 -6.383 1.00 0.00 N ATOM 159 CA GLU A 11 -5.581 2.622 -7.684 1.00 0.00 C ATOM 160 C GLU A 11 -5.257 4.103 -7.528 1.00 0.00 C ATOM 161 O GLU A 11 -6.126 4.905 -7.185 1.00 0.00 O ATOM 162 CB GLU A 11 -6.818 2.446 -8.572 1.00 0.00 C ATOM 163 CG GLU A 11 -6.495 1.953 -9.973 1.00 0.00 C ATOM 164 CD GLU A 11 -6.397 3.081 -10.980 1.00 0.00 C ATOM 165 OE1 GLU A 11 -7.441 3.691 -11.292 1.00 0.00 O ATOM 166 OE2 GLU A 11 -5.276 3.355 -11.458 1.00 0.00 O ATOM 0 H GLU A 11 -5.683 2.632 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.732 2.130 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.500 1.741 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.343 3.399 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.553 1.406 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.265 1.251 -10.293 1.00 0.00 H new ATOM 173 N ASN A 12 -4.003 4.460 -7.779 1.00 0.00 N ATOM 174 CA ASN A 12 -3.566 5.846 -7.663 1.00 0.00 C ATOM 175 C ASN A 12 -2.623 6.219 -8.803 1.00 0.00 C ATOM 176 O ASN A 12 -2.002 5.352 -9.418 1.00 0.00 O ATOM 177 CB ASN A 12 -2.873 6.071 -6.317 1.00 0.00 C ATOM 178 CG ASN A 12 -3.810 6.644 -5.272 1.00 0.00 C ATOM 179 OD1 ASN A 12 -4.262 7.784 -5.384 1.00 0.00 O ATOM 180 ND2 ASN A 12 -4.107 5.854 -4.247 1.00 0.00 N ATOM 0 H ASN A 12 -3.271 3.809 -8.064 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.447 6.485 -7.723 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.468 5.125 -5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.030 6.748 -6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.732 6.185 -3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.710 4.916 -4.194 1.00 0.00 H new ATOM 187 N LYS A 13 -2.524 7.515 -9.079 1.00 0.00 N ATOM 188 CA LYS A 13 -1.657 8.007 -10.143 1.00 0.00 C ATOM 189 C LYS A 13 -1.278 9.466 -9.900 1.00 0.00 C ATOM 190 O LYS A 13 -1.026 10.217 -10.842 1.00 0.00 O ATOM 191 CB LYS A 13 -2.347 7.865 -11.501 1.00 0.00 C ATOM 192 CG LYS A 13 -3.776 8.384 -11.516 1.00 0.00 C ATOM 193 CD LYS A 13 -3.867 9.749 -12.179 1.00 0.00 C ATOM 194 CE LYS A 13 -5.075 10.529 -11.685 1.00 0.00 C ATOM 195 NZ LYS A 13 -5.046 11.946 -12.142 1.00 0.00 N ATOM 0 H LYS A 13 -3.034 8.244 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.747 7.407 -10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.767 8.402 -12.252 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.348 6.814 -11.790 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.415 7.678 -12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.151 8.449 -10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.958 10.315 -11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.929 9.626 -13.260 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.987 10.051 -12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.106 10.499 -10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.886 12.443 -11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.189 12.410 -11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.043 11.975 -13.182 1.00 0.00 H new ATOM 209 N GLU A 14 -1.239 9.857 -8.631 1.00 0.00 N ATOM 210 CA GLU A 14 -0.893 11.223 -8.258 1.00 0.00 C ATOM 211 C GLU A 14 0.584 11.503 -8.520 1.00 0.00 C ATOM 212 O GLU A 14 0.937 12.509 -9.134 1.00 0.00 O ATOM 213 CB GLU A 14 -1.218 11.468 -6.782 1.00 0.00 C ATOM 214 CG GLU A 14 -2.538 12.191 -6.563 1.00 0.00 C ATOM 215 CD GLU A 14 -3.603 11.293 -5.963 1.00 0.00 C ATOM 216 OE1 GLU A 14 -3.287 10.555 -5.006 1.00 0.00 O ATOM 217 OE2 GLU A 14 -4.752 11.329 -6.451 1.00 0.00 O ATOM 0 H GLU A 14 -1.444 9.245 -7.841 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.486 11.902 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.246 10.511 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.414 12.052 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.375 13.045 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.894 12.585 -7.515 1.00 0.00 H new ATOM 224 N ALA A 15 1.445 10.609 -8.040 1.00 0.00 N ATOM 225 CA ALA A 15 2.886 10.760 -8.214 1.00 0.00 C ATOM 226 C ALA A 15 3.248 11.050 -9.667 1.00 0.00 C ATOM 227 O ALA A 15 3.936 12.027 -9.964 1.00 0.00 O ATOM 228 CB ALA A 15 3.608 9.512 -7.730 1.00 0.00 C ATOM 0 H ALA A 15 1.169 9.772 -7.527 1.00 0.00 H new ATOM 0 HA ALA A 15 3.206 11.613 -7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.682 9.638 -7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.391 9.353 -6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.268 8.650 -8.304 1.00 0.00 H new ATOM 234 N LYS A 16 2.775 10.202 -10.573 1.00 0.00 N ATOM 235 CA LYS A 16 3.053 10.367 -11.997 1.00 0.00 C ATOM 236 C LYS A 16 2.789 11.802 -12.440 1.00 0.00 C ATOM 237 O LYS A 16 3.625 12.422 -13.098 1.00 0.00 O ATOM 238 CB LYS A 16 2.199 9.401 -12.821 1.00 0.00 C ATOM 239 CG LYS A 16 2.698 9.212 -14.245 1.00 0.00 C ATOM 240 CD LYS A 16 1.767 9.862 -15.256 1.00 0.00 C ATOM 241 CE LYS A 16 2.425 9.984 -16.621 1.00 0.00 C ATOM 242 NZ LYS A 16 2.690 8.651 -17.230 1.00 0.00 N ATOM 0 H LYS A 16 2.197 9.392 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 16 4.106 10.142 -12.164 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.176 8.433 -12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.174 9.769 -12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.696 9.640 -14.341 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.785 8.147 -14.462 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.854 9.273 -15.342 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.476 10.851 -14.901 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.783 10.565 -17.283 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.362 10.532 -16.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.108 8.777 -18.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.350 8.119 -16.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.797 8.124 -17.314 1.00 0.00 H new ATOM 256 N ALA A 17 1.627 12.328 -12.072 1.00 0.00 N ATOM 257 CA ALA A 17 1.259 13.693 -12.428 1.00 0.00 C ATOM 258 C ALA A 17 2.378 14.677 -12.086 1.00 0.00 C ATOM 259 O ALA A 17 2.768 15.495 -12.918 1.00 0.00 O ATOM 260 CB ALA A 17 -0.030 14.091 -11.724 1.00 0.00 C ATOM 0 H ALA A 17 0.923 11.830 -11.527 1.00 0.00 H new ATOM 0 HA ALA A 17 1.100 13.729 -13.506 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.294 15.112 -11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.832 13.416 -12.024 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.111 14.030 -10.645 1.00 0.00 H new ATOM 266 N LYS A 18 2.887 14.599 -10.858 1.00 0.00 N ATOM 267 CA LYS A 18 3.957 15.493 -10.421 1.00 0.00 C ATOM 268 C LYS A 18 5.175 14.713 -9.918 1.00 0.00 C ATOM 269 O LYS A 18 6.211 14.675 -10.581 1.00 0.00 O ATOM 270 CB LYS A 18 3.446 16.433 -9.325 1.00 0.00 C ATOM 271 CG LYS A 18 4.245 17.721 -9.208 1.00 0.00 C ATOM 272 CD LYS A 18 5.035 17.774 -7.909 1.00 0.00 C ATOM 273 CE LYS A 18 6.486 17.379 -8.123 1.00 0.00 C ATOM 274 NZ LYS A 18 7.112 18.144 -9.236 1.00 0.00 N ATOM 0 H LYS A 18 2.578 13.931 -10.152 1.00 0.00 H new ATOM 0 HA LYS A 18 4.270 16.081 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.403 16.679 -9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.472 15.911 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.928 17.804 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.569 18.575 -9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.988 18.781 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.579 17.107 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.048 17.549 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.544 16.312 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.115 18.314 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.035 17.599 -10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.623 19.055 -9.349 1.00 0.00 H new ATOM 288 N TYR A 19 5.047 14.100 -8.744 1.00 0.00 N ATOM 289 CA TYR A 19 6.137 13.333 -8.153 1.00 0.00 C ATOM 290 C TYR A 19 6.613 12.243 -9.101 1.00 0.00 C ATOM 291 O TYR A 19 5.953 11.222 -9.284 1.00 0.00 O ATOM 292 CB TYR A 19 5.700 12.715 -6.822 1.00 0.00 C ATOM 293 CG TYR A 19 5.079 13.709 -5.866 1.00 0.00 C ATOM 294 CD1 TYR A 19 5.866 14.440 -4.984 1.00 0.00 C ATOM 295 CD2 TYR A 19 3.704 13.914 -5.843 1.00 0.00 C ATOM 296 CE1 TYR A 19 5.302 15.348 -4.109 1.00 0.00 C ATOM 297 CE2 TYR A 19 3.133 14.821 -4.970 1.00 0.00 C ATOM 298 CZ TYR A 19 3.937 15.535 -4.105 1.00 0.00 C ATOM 299 OH TYR A 19 3.372 16.438 -3.235 1.00 0.00 O ATOM 0 H TYR A 19 4.196 14.121 -8.183 1.00 0.00 H new ATOM 0 HA TYR A 19 6.966 14.017 -7.970 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.984 11.918 -7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.565 12.255 -6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.936 14.296 -4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.072 13.356 -6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.928 15.909 -3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.063 14.970 -4.965 1.00 0.00 H new ATOM 0 HH TYR A 19 2.400 16.450 -3.361 1.00 0.00 H new ATOM 309 N ASP A 20 7.763 12.476 -9.708 1.00 0.00 N ATOM 310 CA ASP A 20 8.336 11.521 -10.648 1.00 0.00 C ATOM 311 C ASP A 20 8.863 10.294 -9.917 1.00 0.00 C ATOM 312 O ASP A 20 9.682 10.410 -9.001 1.00 0.00 O ATOM 313 CB ASP A 20 9.462 12.177 -11.450 1.00 0.00 C ATOM 314 CG ASP A 20 9.455 11.755 -12.906 1.00 0.00 C ATOM 315 OD1 ASP A 20 8.365 11.441 -13.429 1.00 0.00 O ATOM 316 OD2 ASP A 20 10.541 11.738 -13.525 1.00 0.00 O ATOM 0 H ASP A 20 8.321 13.318 -9.569 1.00 0.00 H new ATOM 0 HA ASP A 20 7.550 11.204 -11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.365 13.261 -11.388 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.422 11.917 -11.004 1.00 0.00 H new ATOM 321 N ILE A 21 8.383 9.123 -10.326 1.00 0.00 N ATOM 322 CA ILE A 21 8.791 7.865 -9.712 1.00 0.00 C ATOM 323 C ILE A 21 10.104 7.357 -10.302 1.00 0.00 C ATOM 324 O ILE A 21 10.438 7.661 -11.447 1.00 0.00 O ATOM 325 CB ILE A 21 7.711 6.778 -9.886 1.00 0.00 C ATOM 326 CG1 ILE A 21 6.320 7.353 -9.603 1.00 0.00 C ATOM 327 CG2 ILE A 21 8.000 5.596 -8.971 1.00 0.00 C ATOM 328 CD1 ILE A 21 5.490 7.566 -10.851 1.00 0.00 C ATOM 0 H ILE A 21 7.708 9.020 -11.084 1.00 0.00 H new ATOM 0 HA ILE A 21 8.929 8.067 -8.650 1.00 0.00 H new ATOM 0 HB ILE A 21 7.732 6.429 -10.918 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.787 6.680 -8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.428 8.304 -9.081 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.230 4.836 -9.104 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.974 5.173 -9.219 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.004 5.931 -7.934 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.518 7.975 -10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.002 8.263 -11.514 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.351 6.614 -11.363 1.00 0.00 H new ATOM 340 N LEU A 22 10.840 6.579 -9.513 1.00 0.00 N ATOM 341 CA LEU A 22 12.116 6.026 -9.958 1.00 0.00 C ATOM 342 C LEU A 22 12.169 4.516 -9.736 1.00 0.00 C ATOM 343 O LEU A 22 12.140 3.738 -10.691 1.00 0.00 O ATOM 344 CB LEU A 22 13.274 6.706 -9.222 1.00 0.00 C ATOM 345 CG LEU A 22 14.488 7.039 -10.093 1.00 0.00 C ATOM 346 CD1 LEU A 22 15.041 5.779 -10.739 1.00 0.00 C ATOM 347 CD2 LEU A 22 14.115 8.065 -11.152 1.00 0.00 C ATOM 0 H LEU A 22 10.575 6.317 -8.563 1.00 0.00 H new ATOM 0 HA LEU A 22 12.211 6.217 -11.027 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.906 7.627 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.597 6.058 -8.407 1.00 0.00 H new ATOM 0 HG LEU A 22 15.264 7.467 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.904 6.034 -11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.344 5.075 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.272 5.323 -11.363 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.989 8.291 -11.763 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.324 7.663 -11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.765 8.977 -10.668 1.00 0.00 H new ATOM 359 N GLU A 23 12.249 4.106 -8.473 1.00 0.00 N ATOM 360 CA GLU A 23 12.307 2.687 -8.130 1.00 0.00 C ATOM 361 C GLU A 23 11.070 2.266 -7.343 1.00 0.00 C ATOM 362 O GLU A 23 10.455 3.080 -6.654 1.00 0.00 O ATOM 363 CB GLU A 23 13.570 2.384 -7.320 1.00 0.00 C ATOM 364 CG GLU A 23 13.914 3.457 -6.298 1.00 0.00 C ATOM 365 CD GLU A 23 14.624 2.897 -5.082 1.00 0.00 C ATOM 366 OE1 GLU A 23 14.368 1.726 -4.732 1.00 0.00 O ATOM 367 OE2 GLU A 23 15.437 3.630 -4.479 1.00 0.00 O ATOM 0 H GLU A 23 12.275 4.735 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 23 12.336 2.117 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.441 1.432 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.410 2.264 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.545 4.212 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.000 3.959 -5.981 1.00 0.00 H new ATOM 374 N THR A 24 10.706 0.991 -7.451 1.00 0.00 N ATOM 375 CA THR A 24 9.536 0.469 -6.751 1.00 0.00 C ATOM 376 C THR A 24 9.827 -0.888 -6.114 1.00 0.00 C ATOM 377 O THR A 24 10.760 -1.585 -6.511 1.00 0.00 O ATOM 378 CB THR A 24 8.360 0.342 -7.721 1.00 0.00 C ATOM 379 OG1 THR A 24 8.646 -0.611 -8.730 1.00 0.00 O ATOM 380 CG2 THR A 24 8.005 1.643 -8.406 1.00 0.00 C ATOM 0 H THR A 24 11.203 0.302 -8.015 1.00 0.00 H new ATOM 0 HA THR A 24 9.281 1.170 -5.956 1.00 0.00 H new ATOM 0 HB THR A 24 7.513 0.030 -7.110 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.882 -0.680 -9.340 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.163 1.482 -9.080 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.733 2.386 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.863 2.000 -8.976 1.00 0.00 H new ATOM 388 N TYR A 25 9.011 -1.261 -5.129 1.00 0.00 N ATOM 389 CA TYR A 25 9.167 -2.541 -4.445 1.00 0.00 C ATOM 390 C TYR A 25 7.818 -3.246 -4.316 1.00 0.00 C ATOM 391 O TYR A 25 6.784 -2.688 -4.684 1.00 0.00 O ATOM 392 CB TYR A 25 9.804 -2.357 -3.067 1.00 0.00 C ATOM 393 CG TYR A 25 10.778 -3.459 -2.715 1.00 0.00 C ATOM 394 CD1 TYR A 25 12.071 -3.455 -3.219 1.00 0.00 C ATOM 395 CD2 TYR A 25 10.397 -4.511 -1.892 1.00 0.00 C ATOM 396 CE1 TYR A 25 12.959 -4.469 -2.912 1.00 0.00 C ATOM 397 CE2 TYR A 25 11.278 -5.529 -1.582 1.00 0.00 C ATOM 398 CZ TYR A 25 12.556 -5.503 -2.093 1.00 0.00 C ATOM 399 OH TYR A 25 13.434 -6.518 -1.789 1.00 0.00 O ATOM 0 H TYR A 25 8.235 -0.694 -4.788 1.00 0.00 H new ATOM 0 HA TYR A 25 9.832 -3.162 -5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.322 -1.398 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.019 -2.319 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 25 12.389 -2.647 -3.861 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.396 -4.534 -1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.962 -4.452 -3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.966 -6.341 -0.942 1.00 0.00 H new ATOM 0 HH TYR A 25 13.003 -7.383 -1.951 1.00 0.00 H new ATOM 409 N GLU A 26 7.831 -4.473 -3.799 1.00 0.00 N ATOM 410 CA GLU A 26 6.601 -5.240 -3.642 1.00 0.00 C ATOM 411 C GLU A 26 6.434 -5.739 -2.212 1.00 0.00 C ATOM 412 O GLU A 26 7.352 -6.312 -1.629 1.00 0.00 O ATOM 413 CB GLU A 26 6.589 -6.425 -4.610 1.00 0.00 C ATOM 414 CG GLU A 26 6.549 -6.014 -6.073 1.00 0.00 C ATOM 415 CD GLU A 26 7.850 -6.301 -6.796 1.00 0.00 C ATOM 416 OE1 GLU A 26 8.872 -5.671 -6.452 1.00 0.00 O ATOM 417 OE2 GLU A 26 7.847 -7.155 -7.707 1.00 0.00 O ATOM 0 H GLU A 26 8.674 -4.953 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 26 5.766 -4.578 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.476 -7.034 -4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.724 -7.052 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.736 -6.541 -6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.327 -4.949 -6.141 1.00 0.00 H new ATOM 424 N ALA A 27 5.248 -5.527 -1.658 1.00 0.00 N ATOM 425 CA ALA A 27 4.948 -5.964 -0.303 1.00 0.00 C ATOM 426 C ALA A 27 3.716 -6.862 -0.290 1.00 0.00 C ATOM 427 O ALA A 27 2.650 -6.474 -0.770 1.00 0.00 O ATOM 428 CB ALA A 27 4.745 -4.760 0.606 1.00 0.00 C ATOM 0 H ALA A 27 4.477 -5.054 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 27 5.793 -6.541 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.521 -5.101 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.653 -4.157 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.915 -4.159 0.234 1.00 0.00 H new ATOM 434 N GLY A 28 3.862 -8.063 0.256 1.00 0.00 N ATOM 435 CA GLY A 28 2.742 -8.984 0.315 1.00 0.00 C ATOM 436 C GLY A 28 2.072 -8.979 1.672 1.00 0.00 C ATOM 437 O GLY A 28 2.727 -9.189 2.693 1.00 0.00 O ATOM 0 H GLY A 28 4.731 -8.415 0.657 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.013 -8.717 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.089 -9.992 0.086 1.00 0.00 H new ATOM 441 N ILE A 29 0.769 -8.731 1.691 1.00 0.00 N ATOM 442 CA ILE A 29 0.030 -8.693 2.944 1.00 0.00 C ATOM 443 C ILE A 29 -0.501 -10.074 3.316 1.00 0.00 C ATOM 444 O ILE A 29 -0.724 -10.919 2.449 1.00 0.00 O ATOM 445 CB ILE A 29 -1.145 -7.695 2.877 1.00 0.00 C ATOM 446 CG1 ILE A 29 -1.767 -7.515 4.262 1.00 0.00 C ATOM 447 CG2 ILE A 29 -2.194 -8.161 1.878 1.00 0.00 C ATOM 448 CD1 ILE A 29 -2.874 -6.484 4.298 1.00 0.00 C ATOM 0 H ILE A 29 0.206 -8.554 0.859 1.00 0.00 H new ATOM 0 HA ILE A 29 0.729 -8.362 3.712 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.759 -6.733 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.162 -8.473 4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.988 -7.224 4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.013 -7.442 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.744 -8.240 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.578 -9.135 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.269 -6.409 5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.480 -5.516 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.672 -6.783 3.619 1.00 0.00 H new ATOM 460 N VAL A 30 -0.700 -10.296 4.611 1.00 0.00 N ATOM 461 CA VAL A 30 -1.205 -11.575 5.097 1.00 0.00 C ATOM 462 C VAL A 30 -2.019 -11.398 6.375 1.00 0.00 C ATOM 463 O VAL A 30 -1.470 -11.100 7.436 1.00 0.00 O ATOM 464 CB VAL A 30 -0.058 -12.570 5.365 1.00 0.00 C ATOM 465 CG1 VAL A 30 0.447 -13.166 4.061 1.00 0.00 C ATOM 466 CG2 VAL A 30 1.073 -11.893 6.124 1.00 0.00 C ATOM 0 H VAL A 30 -0.520 -9.608 5.342 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.848 -11.977 4.314 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.443 -13.381 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.256 -13.866 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.367 -13.691 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.815 -12.369 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.872 -12.612 6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.459 -11.060 5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.699 -11.521 7.078 1.00 0.00 H new ATOM 476 N LEU A 31 -3.331 -11.587 6.265 1.00 0.00 N ATOM 477 CA LEU A 31 -4.222 -11.451 7.411 1.00 0.00 C ATOM 478 C LEU A 31 -5.441 -12.356 7.262 1.00 0.00 C ATOM 479 O LEU A 31 -5.679 -12.922 6.196 1.00 0.00 O ATOM 480 CB LEU A 31 -4.663 -9.994 7.574 1.00 0.00 C ATOM 481 CG LEU A 31 -5.630 -9.485 6.505 1.00 0.00 C ATOM 482 CD1 LEU A 31 -6.576 -8.450 7.091 1.00 0.00 C ATOM 483 CD2 LEU A 31 -4.863 -8.904 5.326 1.00 0.00 C ATOM 0 H LEU A 31 -3.800 -11.835 5.394 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.675 -11.755 8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.133 -9.880 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.776 -9.360 7.571 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.223 -10.327 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.257 -8.099 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.150 -8.899 7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.001 -7.608 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.567 -8.546 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.244 -8.074 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.227 -9.675 4.890 1.00 0.00 H new ATOM 495 N LYS A 32 -6.211 -12.488 8.338 1.00 0.00 N ATOM 496 CA LYS A 32 -7.405 -13.325 8.324 1.00 0.00 C ATOM 497 C LYS A 32 -8.558 -12.641 9.054 1.00 0.00 C ATOM 498 O LYS A 32 -8.348 -11.713 9.834 1.00 0.00 O ATOM 499 CB LYS A 32 -7.108 -14.681 8.966 1.00 0.00 C ATOM 500 CG LYS A 32 -6.935 -15.807 7.958 1.00 0.00 C ATOM 501 CD LYS A 32 -5.702 -16.644 8.260 1.00 0.00 C ATOM 502 CE LYS A 32 -4.980 -17.052 6.985 1.00 0.00 C ATOM 503 NZ LYS A 32 -4.335 -18.387 7.116 1.00 0.00 N ATOM 0 H LYS A 32 -6.029 -12.027 9.229 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.700 -13.480 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.201 -14.599 9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.919 -14.936 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.819 -16.444 7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.855 -15.389 6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.024 -16.078 8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.993 -17.535 8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.688 -17.071 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.224 -16.306 6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.854 -18.629 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.641 -18.363 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.059 -19.104 7.323 1.00 0.00 H new ATOM 517 N GLY A 33 -9.775 -13.106 8.792 1.00 0.00 N ATOM 518 CA GLY A 33 -10.943 -12.529 9.431 1.00 0.00 C ATOM 519 C GLY A 33 -12.042 -12.198 8.440 1.00 0.00 C ATOM 520 O GLY A 33 -12.270 -12.940 7.485 1.00 0.00 O ATOM 0 H GLY A 33 -9.973 -13.872 8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.327 -13.226 10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.652 -11.623 9.962 1.00 0.00 H new ATOM 524 N SER A 34 -12.723 -11.079 8.666 1.00 0.00 N ATOM 525 CA SER A 34 -13.802 -10.648 7.786 1.00 0.00 C ATOM 526 C SER A 34 -13.326 -9.578 6.804 1.00 0.00 C ATOM 527 O SER A 34 -14.096 -9.108 5.966 1.00 0.00 O ATOM 528 CB SER A 34 -14.975 -10.113 8.609 1.00 0.00 C ATOM 529 OG SER A 34 -14.600 -8.958 9.340 1.00 0.00 O ATOM 0 H SER A 34 -12.546 -10.454 9.452 1.00 0.00 H new ATOM 0 HA SER A 34 -14.129 -11.515 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.808 -9.874 7.948 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.324 -10.885 9.296 1.00 0.00 H new ATOM 0 HG SER A 34 -15.367 -8.634 9.856 1.00 0.00 H new ATOM 535 N GLU A 35 -12.057 -9.193 6.911 1.00 0.00 N ATOM 536 CA GLU A 35 -11.486 -8.180 6.033 1.00 0.00 C ATOM 537 C GLU A 35 -11.454 -8.661 4.585 1.00 0.00 C ATOM 538 O GLU A 35 -11.876 -7.950 3.673 1.00 0.00 O ATOM 539 CB GLU A 35 -10.072 -7.816 6.492 1.00 0.00 C ATOM 540 CG GLU A 35 -10.031 -6.651 7.469 1.00 0.00 C ATOM 541 CD GLU A 35 -10.052 -7.103 8.915 1.00 0.00 C ATOM 542 OE1 GLU A 35 -9.032 -7.652 9.381 1.00 0.00 O ATOM 543 OE2 GLU A 35 -11.089 -6.906 9.583 1.00 0.00 O ATOM 0 H GLU A 35 -11.405 -9.569 7.599 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.120 -7.295 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.615 -8.688 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.468 -7.569 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.132 -6.062 7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.883 -5.996 7.284 1.00 0.00 H new ATOM 550 N VAL A 36 -10.938 -9.869 4.381 1.00 0.00 N ATOM 551 CA VAL A 36 -10.832 -10.450 3.046 1.00 0.00 C ATOM 552 C VAL A 36 -12.147 -10.361 2.271 1.00 0.00 C ATOM 553 O VAL A 36 -12.183 -9.839 1.157 1.00 0.00 O ATOM 554 CB VAL A 36 -10.396 -11.926 3.115 1.00 0.00 C ATOM 555 CG1 VAL A 36 -10.096 -12.460 1.722 1.00 0.00 C ATOM 556 CG2 VAL A 36 -9.188 -12.084 4.026 1.00 0.00 C ATOM 0 H VAL A 36 -10.585 -10.468 5.127 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.077 -9.866 2.520 1.00 0.00 H new ATOM 0 HB VAL A 36 -11.216 -12.509 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -9.790 -13.504 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -10.990 -12.384 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.293 -11.875 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.894 -13.133 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.361 -11.489 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.442 -11.743 5.030 1.00 0.00 H new ATOM 566 N LYS A 37 -13.218 -10.891 2.852 1.00 0.00 N ATOM 567 CA LYS A 37 -14.526 -10.887 2.196 1.00 0.00 C ATOM 568 C LYS A 37 -15.141 -9.489 2.119 1.00 0.00 C ATOM 569 O LYS A 37 -15.570 -9.052 1.052 1.00 0.00 O ATOM 570 CB LYS A 37 -15.482 -11.834 2.923 1.00 0.00 C ATOM 571 CG LYS A 37 -15.180 -13.305 2.681 1.00 0.00 C ATOM 572 CD LYS A 37 -16.339 -14.008 1.990 1.00 0.00 C ATOM 573 CE LYS A 37 -16.196 -13.962 0.477 1.00 0.00 C ATOM 574 NZ LYS A 37 -15.157 -14.910 -0.012 1.00 0.00 N ATOM 0 H LYS A 37 -13.209 -11.328 3.773 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.370 -11.229 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.436 -11.633 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.502 -11.623 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.282 -13.397 2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.971 -13.795 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.386 -15.046 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.278 -13.537 2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.153 -14.202 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.938 -12.949 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.228 -15.000 -1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.214 -14.552 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.302 -15.841 0.427 1.00 0.00 H new ATOM 588 N SER A 38 -15.202 -8.796 3.253 1.00 0.00 N ATOM 589 CA SER A 38 -15.789 -7.456 3.304 1.00 0.00 C ATOM 590 C SER A 38 -15.228 -6.553 2.209 1.00 0.00 C ATOM 591 O SER A 38 -15.979 -5.914 1.472 1.00 0.00 O ATOM 592 CB SER A 38 -15.542 -6.823 4.674 1.00 0.00 C ATOM 593 OG SER A 38 -16.484 -5.797 4.940 1.00 0.00 O ATOM 0 H SER A 38 -14.853 -9.138 4.149 1.00 0.00 H new ATOM 0 HA SER A 38 -16.861 -7.560 3.139 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.605 -7.588 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.533 -6.413 4.712 1.00 0.00 H new ATOM 0 HG SER A 38 -16.305 -5.410 5.822 1.00 0.00 H new ATOM 599 N LEU A 39 -13.907 -6.502 2.110 1.00 0.00 N ATOM 600 CA LEU A 39 -13.242 -5.676 1.110 1.00 0.00 C ATOM 601 C LEU A 39 -13.444 -6.231 -0.298 1.00 0.00 C ATOM 602 O LEU A 39 -13.801 -5.493 -1.218 1.00 0.00 O ATOM 603 CB LEU A 39 -11.749 -5.567 1.418 1.00 0.00 C ATOM 604 CG LEU A 39 -11.398 -4.674 2.608 1.00 0.00 C ATOM 605 CD1 LEU A 39 -9.943 -4.865 3.006 1.00 0.00 C ATOM 606 CD2 LEU A 39 -11.676 -3.214 2.280 1.00 0.00 C ATOM 0 H LEU A 39 -13.272 -7.025 2.713 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.691 -4.683 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.358 -6.567 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.238 -5.186 0.534 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.026 -4.961 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.710 -4.222 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.775 -5.906 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.299 -4.605 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.420 -2.593 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.074 -2.913 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.733 -3.089 2.044 1.00 0.00 H new ATOM 618 N ARG A 40 -13.198 -7.527 -0.465 1.00 0.00 N ATOM 619 CA ARG A 40 -13.331 -8.182 -1.765 1.00 0.00 C ATOM 620 C ARG A 40 -14.669 -7.862 -2.434 1.00 0.00 C ATOM 621 O ARG A 40 -14.711 -7.492 -3.607 1.00 0.00 O ATOM 622 CB ARG A 40 -13.188 -9.697 -1.606 1.00 0.00 C ATOM 623 CG ARG A 40 -13.179 -10.449 -2.927 1.00 0.00 C ATOM 624 CD ARG A 40 -13.215 -11.953 -2.712 1.00 0.00 C ATOM 625 NE ARG A 40 -14.552 -12.424 -2.356 1.00 0.00 N ATOM 626 CZ ARG A 40 -15.527 -12.625 -3.239 1.00 0.00 C ATOM 627 NH1 ARG A 40 -15.320 -12.398 -4.531 1.00 0.00 N ATOM 628 NH2 ARG A 40 -16.713 -13.056 -2.830 1.00 0.00 N ATOM 0 H ARG A 40 -12.904 -8.149 0.288 1.00 0.00 H new ATOM 0 HA ARG A 40 -12.536 -7.799 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.264 -9.912 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.008 -10.069 -0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.038 -10.145 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.286 -10.183 -3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.883 -12.457 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.513 -12.223 -1.923 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.749 -12.610 -1.373 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.410 -12.068 -4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.071 -12.554 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.877 -13.233 -1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.461 -13.210 -3.506 1.00 0.00 H new ATOM 642 N GLU A 41 -15.758 -8.027 -1.691 1.00 0.00 N ATOM 643 CA GLU A 41 -17.094 -7.776 -2.226 1.00 0.00 C ATOM 644 C GLU A 41 -17.346 -6.288 -2.477 1.00 0.00 C ATOM 645 O GLU A 41 -17.809 -5.904 -3.551 1.00 0.00 O ATOM 646 CB GLU A 41 -18.157 -8.332 -1.275 1.00 0.00 C ATOM 647 CG GLU A 41 -18.172 -7.659 0.088 1.00 0.00 C ATOM 648 CD GLU A 41 -19.029 -8.401 1.095 1.00 0.00 C ATOM 649 OE1 GLU A 41 -20.271 -8.330 0.985 1.00 0.00 O ATOM 650 OE2 GLU A 41 -18.457 -9.055 1.993 1.00 0.00 O ATOM 0 H GLU A 41 -15.743 -8.333 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.159 -8.287 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -19.138 -8.220 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.988 -9.400 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -17.152 -7.589 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -18.543 -6.640 -0.018 1.00 0.00 H new ATOM 769 N ASP A 49 -6.393 8.540 0.438 1.00 0.00 N ATOM 770 CA ASP A 49 -5.986 8.807 1.814 1.00 0.00 C ATOM 771 C ASP A 49 -5.136 7.667 2.364 1.00 0.00 C ATOM 772 O ASP A 49 -5.095 7.437 3.573 1.00 0.00 O ATOM 773 CB ASP A 49 -7.215 9.015 2.700 1.00 0.00 C ATOM 774 CG ASP A 49 -6.985 10.065 3.769 1.00 0.00 C ATOM 775 OD1 ASP A 49 -6.058 10.886 3.605 1.00 0.00 O ATOM 776 OD2 ASP A 49 -7.732 10.066 4.770 1.00 0.00 O ATOM 0 HA ASP A 49 -5.385 9.716 1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.061 9.311 2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.482 8.070 3.174 1.00 0.00 H new ATOM 781 N SER A 50 -4.459 6.953 1.470 1.00 0.00 N ATOM 782 CA SER A 50 -3.610 5.835 1.868 1.00 0.00 C ATOM 783 C SER A 50 -2.150 6.095 1.507 1.00 0.00 C ATOM 784 O SER A 50 -1.845 6.609 0.430 1.00 0.00 O ATOM 785 CB SER A 50 -4.087 4.544 1.200 1.00 0.00 C ATOM 786 OG SER A 50 -3.646 4.470 -0.144 1.00 0.00 O ATOM 0 H SER A 50 -4.482 7.128 0.465 1.00 0.00 H new ATOM 0 HA SER A 50 -3.682 5.729 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.713 3.684 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.175 4.496 1.232 1.00 0.00 H new ATOM 0 HG SER A 50 -3.963 3.635 -0.547 1.00 0.00 H new ATOM 792 N PHE A 51 -1.251 5.733 2.418 1.00 0.00 N ATOM 793 CA PHE A 51 0.180 5.919 2.206 1.00 0.00 C ATOM 794 C PHE A 51 0.953 4.680 2.650 1.00 0.00 C ATOM 795 O PHE A 51 0.445 3.865 3.419 1.00 0.00 O ATOM 796 CB PHE A 51 0.677 7.146 2.973 1.00 0.00 C ATOM 797 CG PHE A 51 0.158 8.446 2.426 1.00 0.00 C ATOM 798 CD1 PHE A 51 -1.186 8.767 2.529 1.00 0.00 C ATOM 799 CD2 PHE A 51 1.013 9.343 1.808 1.00 0.00 C ATOM 800 CE1 PHE A 51 -1.667 9.961 2.026 1.00 0.00 C ATOM 801 CE2 PHE A 51 0.538 10.539 1.304 1.00 0.00 C ATOM 802 CZ PHE A 51 -0.804 10.848 1.413 1.00 0.00 C ATOM 0 H PHE A 51 -1.490 5.307 3.314 1.00 0.00 H new ATOM 0 HA PHE A 51 0.350 6.075 1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.380 7.056 4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.767 7.161 2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.865 8.077 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.063 9.105 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.717 10.200 2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.215 11.231 0.826 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.178 11.782 1.019 1.00 0.00 H new ATOM 812 N VAL A 52 2.180 4.542 2.157 1.00 0.00 N ATOM 813 CA VAL A 52 3.015 3.397 2.502 1.00 0.00 C ATOM 814 C VAL A 52 4.352 3.845 3.085 1.00 0.00 C ATOM 815 O VAL A 52 5.071 4.638 2.479 1.00 0.00 O ATOM 816 CB VAL A 52 3.272 2.503 1.273 1.00 0.00 C ATOM 817 CG1 VAL A 52 4.035 3.268 0.201 1.00 0.00 C ATOM 818 CG2 VAL A 52 4.022 1.240 1.673 1.00 0.00 C ATOM 0 H VAL A 52 2.617 5.207 1.519 1.00 0.00 H new ATOM 0 HA VAL A 52 2.473 2.822 3.253 1.00 0.00 H new ATOM 0 HB VAL A 52 2.308 2.208 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.206 2.618 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.453 4.136 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.993 3.599 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.193 0.623 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.980 1.511 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.431 0.680 2.398 1.00 0.00 H new ATOM 828 N ARG A 53 4.679 3.327 4.265 1.00 0.00 N ATOM 829 CA ARG A 53 5.930 3.669 4.930 1.00 0.00 C ATOM 830 C ARG A 53 6.725 2.410 5.265 1.00 0.00 C ATOM 831 O ARG A 53 6.195 1.472 5.857 1.00 0.00 O ATOM 832 CB ARG A 53 5.652 4.466 6.206 1.00 0.00 C ATOM 833 CG ARG A 53 6.692 5.538 6.493 1.00 0.00 C ATOM 834 CD ARG A 53 6.397 6.264 7.796 1.00 0.00 C ATOM 835 NE ARG A 53 6.505 5.379 8.953 1.00 0.00 N ATOM 836 CZ ARG A 53 6.647 5.810 10.206 1.00 0.00 C ATOM 837 NH1 ARG A 53 6.698 7.111 10.465 1.00 0.00 N ATOM 838 NH2 ARG A 53 6.736 4.938 11.200 1.00 0.00 N ATOM 0 H ARG A 53 4.094 2.669 4.780 1.00 0.00 H new ATOM 0 HA ARG A 53 6.521 4.282 4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.672 4.935 6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.608 3.779 7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.681 5.083 6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.713 6.255 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.090 7.097 7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.393 6.687 7.756 1.00 0.00 H new ATOM 0 HE ARG A 53 6.470 4.372 8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.628 7.786 9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.807 7.436 11.426 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.696 3.937 11.006 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.845 5.267 12.159 1.00 0.00 H new ATOM 852 N ILE A 54 7.996 2.395 4.881 1.00 0.00 N ATOM 853 CA ILE A 54 8.861 1.247 5.143 1.00 0.00 C ATOM 854 C ILE A 54 9.376 1.271 6.578 1.00 0.00 C ATOM 855 O ILE A 54 9.978 2.250 7.019 1.00 0.00 O ATOM 856 CB ILE A 54 10.060 1.219 4.172 1.00 0.00 C ATOM 857 CG1 ILE A 54 10.919 -0.026 4.411 1.00 0.00 C ATOM 858 CG2 ILE A 54 10.895 2.485 4.320 1.00 0.00 C ATOM 859 CD1 ILE A 54 10.348 -1.282 3.790 1.00 0.00 C ATOM 0 H ILE A 54 8.452 3.163 4.388 1.00 0.00 H new ATOM 0 HA ILE A 54 8.262 0.349 4.991 1.00 0.00 H new ATOM 0 HB ILE A 54 9.677 1.177 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.917 0.148 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.031 -0.180 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.736 2.449 3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.279 3.356 4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.268 2.557 5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.008 -2.124 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.362 -1.480 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 54 10.262 -1.148 2.712 1.00 0.00 H new ATOM 871 N GLU A 55 9.138 0.182 7.300 1.00 0.00 N ATOM 872 CA GLU A 55 9.580 0.069 8.683 1.00 0.00 C ATOM 873 C GLU A 55 10.634 -1.022 8.821 1.00 0.00 C ATOM 874 O GLU A 55 10.524 -2.085 8.202 1.00 0.00 O ATOM 875 CB GLU A 55 8.389 -0.226 9.599 1.00 0.00 C ATOM 876 CG GLU A 55 7.962 0.965 10.442 1.00 0.00 C ATOM 877 CD GLU A 55 8.941 1.270 11.559 1.00 0.00 C ATOM 878 OE1 GLU A 55 10.136 0.942 11.408 1.00 0.00 O ATOM 879 OE2 GLU A 55 8.511 1.838 12.586 1.00 0.00 O ATOM 0 H GLU A 55 8.640 -0.636 6.949 1.00 0.00 H new ATOM 0 HA GLU A 55 10.025 1.018 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.545 -0.552 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.645 -1.055 10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.862 1.842 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.979 0.769 10.869 1.00 0.00 H new ATOM 886 N ASN A 56 11.659 -0.744 9.632 1.00 0.00 N ATOM 887 CA ASN A 56 12.756 -1.686 9.865 1.00 0.00 C ATOM 888 C ASN A 56 12.268 -3.131 9.862 1.00 0.00 C ATOM 889 O ASN A 56 11.835 -3.657 10.887 1.00 0.00 O ATOM 890 CB ASN A 56 13.448 -1.371 11.194 1.00 0.00 C ATOM 891 CG ASN A 56 14.913 -1.022 11.013 1.00 0.00 C ATOM 892 OD1 ASN A 56 15.251 0.001 10.419 1.00 0.00 O ATOM 893 ND2 ASN A 56 15.792 -1.876 11.526 1.00 0.00 N ATOM 0 H ASN A 56 11.751 0.134 10.142 1.00 0.00 H new ATOM 0 HA ASN A 56 13.469 -1.572 9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.936 -0.540 11.679 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.361 -2.230 11.859 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.792 -1.695 11.435 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.467 -2.712 12.011 1.00 0.00 H new ATOM 900 N GLY A 57 12.337 -3.763 8.696 1.00 0.00 N ATOM 901 CA GLY A 57 11.897 -5.135 8.570 1.00 0.00 C ATOM 902 C GLY A 57 11.273 -5.419 7.218 1.00 0.00 C ATOM 903 O GLY A 57 11.867 -6.107 6.388 1.00 0.00 O ATOM 0 H GLY A 57 12.691 -3.346 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.746 -5.802 8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.173 -5.355 9.355 1.00 0.00 H new ATOM 907 N GLU A 58 10.079 -4.878 6.988 1.00 0.00 N ATOM 908 CA GLU A 58 9.383 -5.078 5.721 1.00 0.00 C ATOM 909 C GLU A 58 8.597 -3.834 5.325 1.00 0.00 C ATOM 910 O GLU A 58 8.539 -2.864 6.080 1.00 0.00 O ATOM 911 CB GLU A 58 8.440 -6.280 5.818 1.00 0.00 C ATOM 912 CG GLU A 58 9.066 -7.496 6.483 1.00 0.00 C ATOM 913 CD GLU A 58 8.794 -7.549 7.974 1.00 0.00 C ATOM 914 OE1 GLU A 58 9.266 -6.647 8.697 1.00 0.00 O ATOM 915 OE2 GLU A 58 8.109 -8.494 8.419 1.00 0.00 O ATOM 0 H GLU A 58 9.575 -4.300 7.660 1.00 0.00 H new ATOM 0 HA GLU A 58 10.132 -5.270 4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.551 -5.989 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.111 -6.554 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.680 -8.401 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.143 -7.484 6.314 1.00 0.00 H new ATOM 922 N ALA A 59 7.993 -3.860 4.138 1.00 0.00 N ATOM 923 CA ALA A 59 7.207 -2.728 3.673 1.00 0.00 C ATOM 924 C ALA A 59 5.888 -2.659 4.437 1.00 0.00 C ATOM 925 O ALA A 59 5.132 -3.630 4.474 1.00 0.00 O ATOM 926 CB ALA A 59 6.955 -2.836 2.176 1.00 0.00 C ATOM 0 H ALA A 59 8.034 -4.646 3.489 1.00 0.00 H new ATOM 0 HA ALA A 59 7.766 -1.811 3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.366 -1.981 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.908 -2.848 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.411 -3.756 1.964 1.00 0.00 H new ATOM 932 N TRP A 60 5.620 -1.515 5.054 1.00 0.00 N ATOM 933 CA TRP A 60 4.396 -1.335 5.825 1.00 0.00 C ATOM 934 C TRP A 60 3.383 -0.498 5.054 1.00 0.00 C ATOM 935 O TRP A 60 3.753 0.358 4.251 1.00 0.00 O ATOM 936 CB TRP A 60 4.710 -0.684 7.171 1.00 0.00 C ATOM 937 CG TRP A 60 4.775 -1.667 8.296 1.00 0.00 C ATOM 938 CD1 TRP A 60 5.876 -2.351 8.726 1.00 0.00 C ATOM 939 CD2 TRP A 60 3.691 -2.083 9.130 1.00 0.00 C ATOM 940 NE1 TRP A 60 5.541 -3.166 9.780 1.00 0.00 N ATOM 941 CE2 TRP A 60 4.204 -3.018 10.047 1.00 0.00 C ATOM 942 CE3 TRP A 60 2.336 -1.752 9.190 1.00 0.00 C ATOM 943 CZ2 TRP A 60 3.407 -3.626 11.015 1.00 0.00 C ATOM 944 CZ3 TRP A 60 1.546 -2.356 10.148 1.00 0.00 C ATOM 945 CH2 TRP A 60 2.083 -3.284 11.049 1.00 0.00 C ATOM 0 H TRP A 60 6.232 -0.699 5.036 1.00 0.00 H new ATOM 0 HA TRP A 60 3.958 -2.317 6.002 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.662 -0.158 7.100 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.948 0.064 7.393 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.865 -2.264 8.300 1.00 0.00 H new ATOM 0 HE1 TRP A 60 6.182 -3.781 10.282 1.00 0.00 H new ATOM 0 HE3 TRP A 60 1.914 -1.037 8.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 3.819 -4.340 11.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.496 -2.109 10.203 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.438 -3.739 11.786 1.00 0.00 H new ATOM 956 N LEU A 61 2.101 -0.758 5.296 1.00 0.00 N ATOM 957 CA LEU A 61 1.036 -0.033 4.615 1.00 0.00 C ATOM 958 C LEU A 61 0.058 0.588 5.607 1.00 0.00 C ATOM 959 O LEU A 61 -0.411 -0.076 6.532 1.00 0.00 O ATOM 960 CB LEU A 61 0.286 -0.968 3.665 1.00 0.00 C ATOM 961 CG LEU A 61 -0.654 -0.273 2.680 1.00 0.00 C ATOM 962 CD1 LEU A 61 0.110 0.729 1.829 1.00 0.00 C ATOM 963 CD2 LEU A 61 -1.355 -1.298 1.800 1.00 0.00 C ATOM 0 H LEU A 61 1.776 -1.464 5.957 1.00 0.00 H new ATOM 0 HA LEU A 61 1.497 0.773 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.015 -1.548 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.293 -1.676 4.258 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.411 0.267 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.576 1.214 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.565 1.481 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.889 0.212 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.020 -0.786 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.612 -1.866 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.936 -1.977 2.424 1.00 0.00 H new ATOM 975 N TYR A 62 -0.252 1.862 5.397 1.00 0.00 N ATOM 976 CA TYR A 62 -1.185 2.579 6.258 1.00 0.00 C ATOM 977 C TYR A 62 -2.323 3.162 5.427 1.00 0.00 C ATOM 978 O TYR A 62 -2.087 3.889 4.463 1.00 0.00 O ATOM 979 CB TYR A 62 -0.461 3.696 7.014 1.00 0.00 C ATOM 980 CG TYR A 62 -1.369 4.518 7.903 1.00 0.00 C ATOM 981 CD1 TYR A 62 -2.002 3.947 9.000 1.00 0.00 C ATOM 982 CD2 TYR A 62 -1.592 5.864 7.645 1.00 0.00 C ATOM 983 CE1 TYR A 62 -2.832 4.693 9.814 1.00 0.00 C ATOM 984 CE2 TYR A 62 -2.420 6.619 8.456 1.00 0.00 C ATOM 985 CZ TYR A 62 -3.037 6.029 9.538 1.00 0.00 C ATOM 986 OH TYR A 62 -3.863 6.776 10.347 1.00 0.00 O ATOM 0 H TYR A 62 0.131 2.422 4.635 1.00 0.00 H new ATOM 0 HA TYR A 62 -1.599 1.878 6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.329 3.257 7.623 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.022 4.356 6.294 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.842 2.902 9.220 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.111 6.329 6.797 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.318 4.233 10.662 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.582 7.665 8.242 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.899 7.698 10.016 1.00 0.00 H new ATOM 996 N ASN A 63 -3.556 2.831 5.795 1.00 0.00 N ATOM 997 CA ASN A 63 -4.720 3.321 5.066 1.00 0.00 C ATOM 998 C ASN A 63 -5.702 4.025 5.996 1.00 0.00 C ATOM 999 O ASN A 63 -5.979 3.554 7.099 1.00 0.00 O ATOM 1000 CB ASN A 63 -5.417 2.165 4.347 1.00 0.00 C ATOM 1001 CG ASN A 63 -5.785 2.511 2.918 1.00 0.00 C ATOM 1002 OD1 ASN A 63 -6.624 3.378 2.673 1.00 0.00 O ATOM 1003 ND2 ASN A 63 -5.155 1.835 1.963 1.00 0.00 N ATOM 0 H ASN A 63 -3.775 2.229 6.589 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.373 4.046 4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.764 1.292 4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.318 1.890 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.360 2.027 0.982 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.466 1.124 2.211 1.00 0.00 H new ATOM 1010 N LEU A 64 -6.229 5.154 5.536 1.00 0.00 N ATOM 1011 CA LEU A 64 -7.186 5.929 6.317 1.00 0.00 C ATOM 1012 C LEU A 64 -8.558 5.939 5.645 1.00 0.00 C ATOM 1013 O LEU A 64 -9.581 6.120 6.305 1.00 0.00 O ATOM 1014 CB LEU A 64 -6.686 7.364 6.498 1.00 0.00 C ATOM 1015 CG LEU A 64 -7.490 8.210 7.487 1.00 0.00 C ATOM 1016 CD1 LEU A 64 -7.588 7.509 8.834 1.00 0.00 C ATOM 1017 CD2 LEU A 64 -6.861 9.586 7.645 1.00 0.00 C ATOM 0 H LEU A 64 -6.009 5.554 4.624 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.283 5.458 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.648 7.332 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.695 7.861 5.528 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.498 8.336 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.163 8.126 9.524 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.084 6.546 8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.587 7.352 9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.446 10.174 8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.842 9.480 8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.844 10.091 6.679 1.00 0.00 H new ATOM 1029 N TYR A 65 -8.572 5.743 4.329 1.00 0.00 N ATOM 1030 CA TYR A 65 -9.817 5.729 3.570 1.00 0.00 C ATOM 1031 C TYR A 65 -10.386 4.313 3.481 1.00 0.00 C ATOM 1032 O TYR A 65 -10.726 3.834 2.399 1.00 0.00 O ATOM 1033 CB TYR A 65 -9.584 6.300 2.166 1.00 0.00 C ATOM 1034 CG TYR A 65 -10.452 7.496 1.848 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -10.478 8.602 2.687 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -11.246 7.518 0.707 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -11.271 9.697 2.400 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -12.040 8.610 0.413 1.00 0.00 C ATOM 1039 CZ TYR A 65 -12.050 9.696 1.263 1.00 0.00 C ATOM 1040 OH TYR A 65 -12.840 10.786 0.973 1.00 0.00 O ATOM 0 H TYR A 65 -7.734 5.592 3.767 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.544 6.353 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.537 6.585 2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -9.772 5.519 1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.869 8.607 3.579 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.242 6.668 0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -11.280 10.549 3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.650 8.613 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.325 10.625 0.137 1.00 0.00 H new ATOM 1050 N ILE A 66 -10.489 3.648 4.628 1.00 0.00 N ATOM 1051 CA ILE A 66 -11.016 2.287 4.680 1.00 0.00 C ATOM 1052 C ILE A 66 -12.468 2.280 5.158 1.00 0.00 C ATOM 1053 O ILE A 66 -13.124 3.322 5.187 1.00 0.00 O ATOM 1054 CB ILE A 66 -10.171 1.377 5.607 1.00 0.00 C ATOM 1055 CG1 ILE A 66 -8.778 1.974 5.837 1.00 0.00 C ATOM 1056 CG2 ILE A 66 -10.059 -0.023 5.016 1.00 0.00 C ATOM 1057 CD1 ILE A 66 -7.873 1.095 6.674 1.00 0.00 C ATOM 0 H ILE A 66 -10.215 4.029 5.534 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.965 1.893 3.665 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.675 1.310 6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -8.305 2.154 4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.883 2.943 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.463 -0.651 5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -11.055 -0.453 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.579 0.032 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.905 1.581 6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.325 0.936 7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.737 0.135 6.177 1.00 0.00 H new ATOM 1069 N ALA A 67 -12.965 1.100 5.532 1.00 0.00 N ATOM 1070 CA ALA A 67 -14.338 0.953 6.009 1.00 0.00 C ATOM 1071 C ALA A 67 -15.332 0.981 4.851 1.00 0.00 C ATOM 1072 O ALA A 67 -15.821 2.044 4.467 1.00 0.00 O ATOM 1073 CB ALA A 67 -14.675 2.039 7.024 1.00 0.00 C ATOM 0 H ALA A 67 -12.433 0.230 5.513 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.417 -0.018 6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.702 1.911 7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.997 1.965 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -14.567 3.019 6.558 1.00 0.00 H new ATOM 1079 N PRO A 68 -15.645 -0.194 4.275 1.00 0.00 N ATOM 1080 CA PRO A 68 -16.586 -0.299 3.156 1.00 0.00 C ATOM 1081 C PRO A 68 -17.982 0.146 3.539 1.00 0.00 C ATOM 1082 O PRO A 68 -18.641 0.895 2.818 1.00 0.00 O ATOM 1083 CB PRO A 68 -16.578 -1.791 2.799 1.00 0.00 C ATOM 1084 CG PRO A 68 -15.353 -2.346 3.446 1.00 0.00 C ATOM 1085 CD PRO A 68 -15.111 -1.507 4.667 1.00 0.00 C ATOM 0 HA PRO A 68 -16.295 0.344 2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.476 -2.288 3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.552 -1.937 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.494 -3.393 3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.501 -2.303 2.768 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.625 -1.908 5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.051 -1.454 4.917 1.00 0.00 H new ATOM 1289 N ARG A 81 -6.847 1.140 9.778 1.00 0.00 N ATOM 1290 CA ARG A 81 -6.123 -0.019 10.286 1.00 0.00 C ATOM 1291 C ARG A 81 -4.817 -0.221 9.525 1.00 0.00 C ATOM 1292 O ARG A 81 -4.796 -0.211 8.294 1.00 0.00 O ATOM 1293 CB ARG A 81 -6.988 -1.276 10.178 1.00 0.00 C ATOM 1294 CG ARG A 81 -7.868 -1.514 11.395 1.00 0.00 C ATOM 1295 CD ARG A 81 -7.439 -2.754 12.165 1.00 0.00 C ATOM 1296 NE ARG A 81 -5.989 -2.816 12.339 1.00 0.00 N ATOM 1297 CZ ARG A 81 -5.309 -2.034 13.174 1.00 0.00 C ATOM 1298 NH1 ARG A 81 -5.942 -1.130 13.912 1.00 0.00 N ATOM 1299 NH2 ARG A 81 -3.992 -2.156 13.272 1.00 0.00 N ATOM 0 HA ARG A 81 -5.888 0.163 11.335 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.619 -1.198 9.293 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.341 -2.141 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.824 -0.645 12.051 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.905 -1.623 11.078 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.922 -2.759 13.142 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.779 -3.645 11.637 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.468 -3.498 11.788 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.955 -1.032 13.841 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.416 -0.533 14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.501 -2.849 12.707 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.471 -1.557 13.912 1.00 0.00 H new ATOM 1313 N LYS A 82 -3.730 -0.402 10.266 1.00 0.00 N ATOM 1314 CA LYS A 82 -2.418 -0.605 9.663 1.00 0.00 C ATOM 1315 C LYS A 82 -2.208 -2.071 9.294 1.00 0.00 C ATOM 1316 O LYS A 82 -2.629 -2.970 10.021 1.00 0.00 O ATOM 1317 CB LYS A 82 -1.319 -0.144 10.623 1.00 0.00 C ATOM 1318 CG LYS A 82 -0.189 0.608 9.939 1.00 0.00 C ATOM 1319 CD LYS A 82 0.717 1.291 10.951 1.00 0.00 C ATOM 1320 CE LYS A 82 0.255 2.710 11.243 1.00 0.00 C ATOM 1321 NZ LYS A 82 1.008 3.316 12.376 1.00 0.00 N ATOM 0 H LYS A 82 -3.731 -0.412 11.286 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.368 -0.011 8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.760 0.497 11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.908 -1.014 11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.396 -0.084 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.604 1.353 9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.731 0.714 11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.739 1.311 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.383 3.324 10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.810 2.705 11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.664 4.283 12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.865 2.744 13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.021 3.345 12.144 1.00 0.00 H new ATOM 1335 N ARG A 83 -1.551 -2.303 8.161 1.00 0.00 N ATOM 1336 CA ARG A 83 -1.281 -3.659 7.697 1.00 0.00 C ATOM 1337 C ARG A 83 0.218 -3.878 7.524 1.00 0.00 C ATOM 1338 O ARG A 83 0.951 -2.957 7.165 1.00 0.00 O ATOM 1339 CB ARG A 83 -2.009 -3.927 6.378 1.00 0.00 C ATOM 1340 CG ARG A 83 -3.524 -3.957 6.514 1.00 0.00 C ATOM 1341 CD ARG A 83 -3.987 -5.129 7.365 1.00 0.00 C ATOM 1342 NE ARG A 83 -5.002 -4.733 8.338 1.00 0.00 N ATOM 1343 CZ ARG A 83 -6.289 -4.560 8.039 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -6.719 -4.745 6.797 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -7.146 -4.202 8.984 1.00 0.00 N ATOM 0 H ARG A 83 -1.196 -1.569 7.548 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.649 -4.357 8.448 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.732 -3.158 5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.670 -4.880 5.973 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.868 -3.024 6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.977 -4.023 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.389 -5.909 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.132 -5.557 7.888 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.708 -4.580 9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.063 -5.021 6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.705 -4.611 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.821 -4.059 9.940 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.131 -4.069 8.755 1.00 0.00 H new ATOM 1359 N LYS A 84 0.670 -5.099 7.790 1.00 0.00 N ATOM 1360 CA LYS A 84 2.085 -5.431 7.673 1.00 0.00 C ATOM 1361 C LYS A 84 2.351 -6.330 6.470 1.00 0.00 C ATOM 1362 O LYS A 84 1.704 -7.363 6.299 1.00 0.00 O ATOM 1363 CB LYS A 84 2.569 -6.120 8.950 1.00 0.00 C ATOM 1364 CG LYS A 84 1.930 -7.479 9.188 1.00 0.00 C ATOM 1365 CD LYS A 84 2.804 -8.605 8.657 1.00 0.00 C ATOM 1366 CE LYS A 84 3.922 -8.947 9.627 1.00 0.00 C ATOM 1367 NZ LYS A 84 5.009 -9.723 8.969 1.00 0.00 N ATOM 0 H LYS A 84 0.078 -5.874 8.088 1.00 0.00 H new ATOM 0 HA LYS A 84 2.634 -4.501 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.651 -6.240 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.359 -5.475 9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.760 -7.621 10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.955 -7.514 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.192 -9.489 8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.230 -8.314 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.334 -8.028 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.517 -9.523 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.204 -10.583 9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.714 -9.988 8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.870 -9.141 8.919 1.00 0.00 H new ATOM 1381 N LEU A 85 3.316 -5.933 5.645 1.00 0.00 N ATOM 1382 CA LEU A 85 3.680 -6.708 4.465 1.00 0.00 C ATOM 1383 C LEU A 85 5.081 -7.290 4.621 1.00 0.00 C ATOM 1384 O LEU A 85 5.770 -7.015 5.602 1.00 0.00 O ATOM 1385 CB LEU A 85 3.605 -5.838 3.208 1.00 0.00 C ATOM 1386 CG LEU A 85 2.413 -4.877 3.155 1.00 0.00 C ATOM 1387 CD1 LEU A 85 2.882 -3.448 2.924 1.00 0.00 C ATOM 1388 CD2 LEU A 85 1.433 -5.300 2.071 1.00 0.00 C ATOM 0 H LEU A 85 3.859 -5.079 5.773 1.00 0.00 H new ATOM 0 HA LEU A 85 2.971 -7.529 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.524 -5.257 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.566 -6.490 2.335 1.00 0.00 H new ATOM 0 HG LEU A 85 1.901 -4.916 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.019 -2.783 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.541 -3.145 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.422 -3.391 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.593 -4.606 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.935 -5.293 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.067 -6.305 2.283 1.00 0.00 H new ATOM 1400 N LEU A 86 5.491 -8.106 3.658 1.00 0.00 N ATOM 1401 CA LEU A 86 6.807 -8.738 3.701 1.00 0.00 C ATOM 1402 C LEU A 86 7.773 -8.111 2.695 1.00 0.00 C ATOM 1403 O LEU A 86 7.360 -7.425 1.759 1.00 0.00 O ATOM 1404 CB LEU A 86 6.679 -10.239 3.430 1.00 0.00 C ATOM 1405 CG LEU A 86 7.467 -11.139 4.384 1.00 0.00 C ATOM 1406 CD1 LEU A 86 6.604 -11.549 5.567 1.00 0.00 C ATOM 1407 CD2 LEU A 86 7.987 -12.366 3.650 1.00 0.00 C ATOM 0 H LEU A 86 4.934 -8.346 2.838 1.00 0.00 H new ATOM 0 HA LEU A 86 7.215 -8.579 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.625 -10.514 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.010 -10.438 2.411 1.00 0.00 H new ATOM 0 HG LEU A 86 8.321 -10.577 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.182 -12.189 6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.281 -10.659 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.730 -12.093 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.545 -12.995 4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.147 -12.930 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.642 -12.053 2.837 1.00 0.00 H new ATOM 1419 N LEU A 87 9.064 -8.366 2.900 1.00 0.00 N ATOM 1420 CA LEU A 87 10.116 -7.851 2.026 1.00 0.00 C ATOM 1421 C LEU A 87 11.201 -8.917 1.843 1.00 0.00 C ATOM 1422 O LEU A 87 10.928 -10.110 1.977 1.00 0.00 O ATOM 1423 CB LEU A 87 10.710 -6.565 2.616 1.00 0.00 C ATOM 1424 CG LEU A 87 10.820 -5.378 1.647 1.00 0.00 C ATOM 1425 CD1 LEU A 87 10.134 -4.148 2.221 1.00 0.00 C ATOM 1426 CD2 LEU A 87 12.275 -5.075 1.324 1.00 0.00 C ATOM 0 H LEU A 87 9.409 -8.934 3.674 1.00 0.00 H new ATOM 0 HA LEU A 87 9.692 -7.613 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.099 -6.261 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.705 -6.789 3.002 1.00 0.00 H new ATOM 0 HG LEU A 87 10.315 -5.652 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.224 -3.320 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.080 -4.366 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.606 -3.876 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.327 -4.231 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.808 -4.828 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.735 -5.949 0.862 1.00 0.00 H new ATOM 1438 N HIS A 88 12.426 -8.495 1.539 1.00 0.00 N ATOM 1439 CA HIS A 88 13.525 -9.438 1.345 1.00 0.00 C ATOM 1440 C HIS A 88 14.462 -9.464 2.560 1.00 0.00 C ATOM 1441 O HIS A 88 14.257 -10.241 3.492 1.00 0.00 O ATOM 1442 CB HIS A 88 14.306 -9.090 0.074 1.00 0.00 C ATOM 1443 CG HIS A 88 13.900 -9.898 -1.118 1.00 0.00 C ATOM 1444 ND1 HIS A 88 14.694 -10.041 -2.236 1.00 0.00 N ATOM 1445 CD2 HIS A 88 12.776 -10.613 -1.363 1.00 0.00 C ATOM 1446 CE1 HIS A 88 14.076 -10.807 -3.118 1.00 0.00 C ATOM 1447 NE2 HIS A 88 12.912 -11.168 -2.612 1.00 0.00 N ATOM 0 H HIS A 88 12.682 -7.515 1.422 1.00 0.00 H new ATOM 0 HA HIS A 88 13.096 -10.434 1.235 1.00 0.00 H new ATOM 0 HB2 HIS A 88 14.167 -8.032 -0.150 1.00 0.00 H new ATOM 0 HB3 HIS A 88 15.370 -9.239 0.259 1.00 0.00 H new ATOM 0 HD2 HIS A 88 11.931 -10.726 -0.700 1.00 0.00 H new ATOM 0 HE1 HIS A 88 14.458 -11.089 -4.088 1.00 0.00 H new ATOM 0 HE2 HIS A 88 12.224 -11.763 -3.074 1.00 0.00 H new ATOM 1456 N LYS A 89 15.487 -8.613 2.543 1.00 0.00 N ATOM 1457 CA LYS A 89 16.451 -8.540 3.638 1.00 0.00 C ATOM 1458 C LYS A 89 17.324 -7.297 3.487 1.00 0.00 C ATOM 1459 O LYS A 89 17.201 -6.340 4.250 1.00 0.00 O ATOM 1460 CB LYS A 89 17.326 -9.798 3.665 1.00 0.00 C ATOM 1461 CG LYS A 89 17.516 -10.375 5.059 1.00 0.00 C ATOM 1462 CD LYS A 89 18.989 -10.553 5.395 1.00 0.00 C ATOM 1463 CE LYS A 89 19.180 -11.409 6.637 1.00 0.00 C ATOM 1464 NZ LYS A 89 18.956 -12.854 6.358 1.00 0.00 N ATOM 0 H LYS A 89 15.671 -7.962 1.779 1.00 0.00 H new ATOM 0 HA LYS A 89 15.904 -8.476 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.877 -10.557 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 89 18.302 -9.561 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 89 17.052 -9.716 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.008 -11.337 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.502 -11.015 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.448 -9.577 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.189 -11.267 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.491 -11.079 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.226 -13.414 7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.951 -13.015 6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.534 -13.144 5.543 1.00 0.00 H new ATOM 1478 N ARG A 90 18.189 -7.314 2.482 1.00 0.00 N ATOM 1479 CA ARG A 90 19.060 -6.180 2.204 1.00 0.00 C ATOM 1480 C ARG A 90 18.231 -5.023 1.657 1.00 0.00 C ATOM 1481 O ARG A 90 18.339 -3.885 2.115 1.00 0.00 O ATOM 1482 CB ARG A 90 20.146 -6.571 1.199 1.00 0.00 C ATOM 1483 CG ARG A 90 20.864 -7.864 1.551 1.00 0.00 C ATOM 1484 CD ARG A 90 22.321 -7.619 1.912 1.00 0.00 C ATOM 1485 NE ARG A 90 23.230 -8.083 0.865 1.00 0.00 N ATOM 1486 CZ ARG A 90 23.574 -9.356 0.693 1.00 0.00 C ATOM 1487 NH1 ARG A 90 23.084 -10.297 1.490 1.00 0.00 N ATOM 1488 NH2 ARG A 90 24.409 -9.691 -0.282 1.00 0.00 N ATOM 0 H ARG A 90 18.306 -8.102 1.845 1.00 0.00 H new ATOM 0 HA ARG A 90 19.545 -5.871 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.696 -6.672 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 90 20.877 -5.765 1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 90 20.358 -8.345 2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 90 20.809 -8.552 0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 90 22.478 -6.554 2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 90 22.554 -8.129 2.847 1.00 0.00 H new ATOM 0 HE ARG A 90 23.623 -7.389 0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 90 22.440 -10.046 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 90 23.352 -11.272 1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 90 24.787 -8.972 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 90 24.673 -10.667 -0.414 1.00 0.00 H new ATOM 1502 N GLU A 91 17.401 -5.342 0.670 1.00 0.00 N ATOM 1503 CA GLU A 91 16.529 -4.368 0.023 1.00 0.00 C ATOM 1504 C GLU A 91 15.741 -3.543 1.040 1.00 0.00 C ATOM 1505 O GLU A 91 15.676 -2.318 0.931 1.00 0.00 O ATOM 1506 CB GLU A 91 15.565 -5.077 -0.926 1.00 0.00 C ATOM 1507 CG GLU A 91 16.261 -5.855 -2.031 1.00 0.00 C ATOM 1508 CD GLU A 91 16.729 -4.963 -3.165 1.00 0.00 C ATOM 1509 OE1 GLU A 91 17.826 -4.376 -3.045 1.00 0.00 O ATOM 1510 OE2 GLU A 91 16.001 -4.852 -4.173 1.00 0.00 O ATOM 0 H GLU A 91 17.314 -6.286 0.295 1.00 0.00 H new ATOM 0 HA GLU A 91 17.163 -3.684 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.939 -5.760 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.902 -4.338 -1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.117 -6.385 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.579 -6.609 -2.424 1.00 0.00 H new ATOM 1517 N ILE A 92 15.120 -4.213 2.009 1.00 0.00 N ATOM 1518 CA ILE A 92 14.312 -3.513 3.017 1.00 0.00 C ATOM 1519 C ILE A 92 15.071 -2.316 3.592 1.00 0.00 C ATOM 1520 O ILE A 92 14.642 -1.170 3.455 1.00 0.00 O ATOM 1521 CB ILE A 92 13.892 -4.407 4.220 1.00 0.00 C ATOM 1522 CG1 ILE A 92 14.325 -5.868 4.051 1.00 0.00 C ATOM 1523 CG2 ILE A 92 12.390 -4.321 4.436 1.00 0.00 C ATOM 1524 CD1 ILE A 92 14.441 -6.611 5.365 1.00 0.00 C ATOM 0 H ILE A 92 15.157 -5.226 2.121 1.00 0.00 H new ATOM 0 HA ILE A 92 13.414 -3.203 2.482 1.00 0.00 H new ATOM 0 HB ILE A 92 14.410 -4.025 5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.606 -6.382 3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 92 15.286 -5.898 3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.107 -4.950 5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 92 12.111 -3.288 4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.873 -4.663 3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.751 -7.639 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 92 15.181 -6.119 5.997 1.00 0.00 H new ATOM 0 HD13 ILE A 92 13.475 -6.610 5.870 1.00 0.00 H new ATOM 1536 N MET A 93 16.195 -2.597 4.244 1.00 0.00 N ATOM 1537 CA MET A 93 17.016 -1.553 4.854 1.00 0.00 C ATOM 1538 C MET A 93 17.395 -0.477 3.841 1.00 0.00 C ATOM 1539 O MET A 93 17.231 0.715 4.098 1.00 0.00 O ATOM 1540 CB MET A 93 18.281 -2.162 5.460 1.00 0.00 C ATOM 1541 CG MET A 93 18.036 -2.898 6.768 1.00 0.00 C ATOM 1542 SD MET A 93 19.547 -3.584 7.474 1.00 0.00 S ATOM 1543 CE MET A 93 19.475 -5.265 6.859 1.00 0.00 C ATOM 0 H MET A 93 16.560 -3.542 4.364 1.00 0.00 H new ATOM 0 HA MET A 93 16.425 -1.085 5.641 1.00 0.00 H new ATOM 0 HB2 MET A 93 18.722 -2.853 4.741 1.00 0.00 H new ATOM 0 HB3 MET A 93 19.010 -1.370 5.630 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.582 -2.214 7.485 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.321 -3.703 6.599 1.00 0.00 H new ATOM 0 HE1 MET A 93 20.345 -5.819 7.212 1.00 0.00 H new ATOM 0 HE2 MET A 93 18.567 -5.746 7.222 1.00 0.00 H new ATOM 0 HE3 MET A 93 19.469 -5.254 5.769 1.00 0.00 H new ATOM 1553 N ARG A 94 17.909 -0.902 2.692 1.00 0.00 N ATOM 1554 CA ARG A 94 18.320 0.026 1.642 1.00 0.00 C ATOM 1555 C ARG A 94 17.220 1.042 1.334 1.00 0.00 C ATOM 1556 O ARG A 94 17.468 2.246 1.287 1.00 0.00 O ATOM 1557 CB ARG A 94 18.689 -0.741 0.370 1.00 0.00 C ATOM 1558 CG ARG A 94 19.623 0.025 -0.552 1.00 0.00 C ATOM 1559 CD ARG A 94 20.121 -0.850 -1.692 1.00 0.00 C ATOM 1560 NE ARG A 94 21.468 -0.477 -2.118 1.00 0.00 N ATOM 1561 CZ ARG A 94 22.574 -0.811 -1.457 1.00 0.00 C ATOM 1562 NH1 ARG A 94 22.499 -1.526 -0.340 1.00 0.00 N ATOM 1563 NH2 ARG A 94 23.759 -0.431 -1.914 1.00 0.00 N ATOM 0 H ARG A 94 18.052 -1.886 2.463 1.00 0.00 H new ATOM 0 HA ARG A 94 19.194 0.569 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.159 -1.684 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 94 17.777 -0.987 -0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 94 19.104 0.893 -0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 94 20.473 0.400 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 94 20.116 -1.894 -1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 94 19.438 -0.769 -2.537 1.00 0.00 H new ATOM 0 HE ARG A 94 21.567 0.072 -2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 94 21.590 -1.822 0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 94 23.350 -1.779 0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 94 23.823 0.117 -2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.607 -0.687 -1.408 1.00 0.00 H new ATOM 1577 N LEU A 95 16.008 0.544 1.118 1.00 0.00 N ATOM 1578 CA LEU A 95 14.870 1.402 0.805 1.00 0.00 C ATOM 1579 C LEU A 95 14.650 2.460 1.883 1.00 0.00 C ATOM 1580 O LEU A 95 14.505 3.644 1.581 1.00 0.00 O ATOM 1581 CB LEU A 95 13.603 0.558 0.641 1.00 0.00 C ATOM 1582 CG LEU A 95 13.480 -0.171 -0.698 1.00 0.00 C ATOM 1583 CD1 LEU A 95 12.594 -1.399 -0.557 1.00 0.00 C ATOM 1584 CD2 LEU A 95 12.931 0.765 -1.765 1.00 0.00 C ATOM 0 H LEU A 95 15.787 -0.451 1.154 1.00 0.00 H new ATOM 0 HA LEU A 95 15.091 1.915 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.569 -0.179 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 95 12.735 1.205 0.766 1.00 0.00 H new ATOM 0 HG LEU A 95 14.473 -0.498 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.518 -1.905 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.028 -2.078 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 95 11.601 -1.095 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.850 0.230 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.946 1.122 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.603 1.614 -1.885 1.00 0.00 H new ATOM 1596 N TYR A 96 14.613 2.029 3.138 1.00 0.00 N ATOM 1597 CA TYR A 96 14.395 2.944 4.257 1.00 0.00 C ATOM 1598 C TYR A 96 15.504 3.992 4.364 1.00 0.00 C ATOM 1599 O TYR A 96 15.234 5.193 4.398 1.00 0.00 O ATOM 1600 CB TYR A 96 14.303 2.157 5.566 1.00 0.00 C ATOM 1601 CG TYR A 96 14.058 3.025 6.780 1.00 0.00 C ATOM 1602 CD1 TYR A 96 12.779 3.462 7.101 1.00 0.00 C ATOM 1603 CD2 TYR A 96 15.107 3.408 7.605 1.00 0.00 C ATOM 1604 CE1 TYR A 96 12.553 4.256 8.209 1.00 0.00 C ATOM 1605 CE2 TYR A 96 14.890 4.202 8.716 1.00 0.00 C ATOM 1606 CZ TYR A 96 13.611 4.623 9.012 1.00 0.00 C ATOM 1607 OH TYR A 96 13.390 5.413 10.118 1.00 0.00 O ATOM 0 H TYR A 96 14.731 1.053 3.409 1.00 0.00 H new ATOM 0 HA TYR A 96 13.457 3.468 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 96 13.499 1.426 5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 96 15.228 1.599 5.710 1.00 0.00 H new ATOM 0 HD1 TYR A 96 11.947 3.176 6.474 1.00 0.00 H new ATOM 0 HD2 TYR A 96 16.110 3.080 7.375 1.00 0.00 H new ATOM 0 HE1 TYR A 96 11.552 4.587 8.444 1.00 0.00 H new ATOM 0 HE2 TYR A 96 15.717 4.491 9.348 1.00 0.00 H new ATOM 0 HH TYR A 96 14.240 5.579 10.576 1.00 0.00 H new ATOM 1617 N GLY A 97 16.744 3.528 4.445 1.00 0.00 N ATOM 1618 CA GLY A 97 17.877 4.429 4.581 1.00 0.00 C ATOM 1619 C GLY A 97 18.012 5.438 3.451 1.00 0.00 C ATOM 1620 O GLY A 97 18.121 6.638 3.698 1.00 0.00 O ATOM 0 H GLY A 97 16.989 2.538 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.787 4.967 5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.792 3.839 4.637 1.00 0.00 H new ATOM 1624 N LYS A 98 18.035 4.953 2.215 1.00 0.00 N ATOM 1625 CA LYS A 98 18.194 5.827 1.053 1.00 0.00 C ATOM 1626 C LYS A 98 16.965 6.699 0.799 1.00 0.00 C ATOM 1627 O LYS A 98 17.041 7.924 0.877 1.00 0.00 O ATOM 1628 CB LYS A 98 18.497 4.992 -0.192 1.00 0.00 C ATOM 1629 CG LYS A 98 19.426 5.685 -1.177 1.00 0.00 C ATOM 1630 CD LYS A 98 20.509 4.744 -1.680 1.00 0.00 C ATOM 1631 CE LYS A 98 20.073 4.017 -2.943 1.00 0.00 C ATOM 1632 NZ LYS A 98 20.633 4.651 -4.168 1.00 0.00 N ATOM 0 H LYS A 98 17.946 3.962 1.989 1.00 0.00 H new ATOM 0 HA LYS A 98 19.028 6.495 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 98 18.945 4.047 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 98 17.560 4.752 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 98 18.848 6.060 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 98 19.887 6.549 -0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 98 21.419 5.309 -1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 98 20.749 4.017 -0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 98 20.395 2.977 -2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 98 18.985 4.012 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 20.313 4.127 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 20.306 5.636 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 21.672 4.633 -4.124 1.00 0.00 H new ATOM 1646 N VAL A 99 15.850 6.070 0.469 1.00 0.00 N ATOM 1647 CA VAL A 99 14.615 6.791 0.169 1.00 0.00 C ATOM 1648 C VAL A 99 14.255 7.830 1.237 1.00 0.00 C ATOM 1649 O VAL A 99 13.962 8.979 0.916 1.00 0.00 O ATOM 1650 CB VAL A 99 13.430 5.816 0.009 1.00 0.00 C ATOM 1651 CG1 VAL A 99 12.172 6.561 -0.416 1.00 0.00 C ATOM 1652 CG2 VAL A 99 13.767 4.719 -0.989 1.00 0.00 C ATOM 0 H VAL A 99 15.770 5.055 0.401 1.00 0.00 H new ATOM 0 HA VAL A 99 14.800 7.316 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 99 13.240 5.351 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.349 5.854 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.916 7.304 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.349 7.059 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.918 4.043 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.989 5.165 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.636 4.162 -0.638 1.00 0.00 H new ATOM 1662 N GLN A 100 14.237 7.415 2.494 1.00 0.00 N ATOM 1663 CA GLN A 100 13.861 8.309 3.591 1.00 0.00 C ATOM 1664 C GLN A 100 14.897 9.401 3.876 1.00 0.00 C ATOM 1665 O GLN A 100 14.547 10.574 4.005 1.00 0.00 O ATOM 1666 CB GLN A 100 13.614 7.496 4.862 1.00 0.00 C ATOM 1667 CG GLN A 100 12.452 8.010 5.697 1.00 0.00 C ATOM 1668 CD GLN A 100 12.773 9.314 6.401 1.00 0.00 C ATOM 1669 OE1 GLN A 100 13.854 9.477 6.969 1.00 0.00 O ATOM 1670 NE2 GLN A 100 11.833 10.252 6.368 1.00 0.00 N ATOM 0 H GLN A 100 14.477 6.467 2.785 1.00 0.00 H new ATOM 0 HA GLN A 100 12.950 8.816 3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.423 6.458 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 100 14.519 7.504 5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.583 8.152 5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.181 7.258 6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.952 10.074 5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.992 11.150 6.825 1.00 0.00 H new ATOM 1679 N GLU A 101 16.157 9.010 4.028 1.00 0.00 N ATOM 1680 CA GLU A 101 17.219 9.961 4.364 1.00 0.00 C ATOM 1681 C GLU A 101 17.568 10.923 3.229 1.00 0.00 C ATOM 1682 O GLU A 101 17.513 12.140 3.406 1.00 0.00 O ATOM 1683 CB GLU A 101 18.476 9.211 4.807 1.00 0.00 C ATOM 1684 CG GLU A 101 19.413 10.046 5.665 1.00 0.00 C ATOM 1685 CD GLU A 101 19.582 9.486 7.063 1.00 0.00 C ATOM 1686 OE1 GLU A 101 18.676 8.762 7.527 1.00 0.00 O ATOM 1687 OE2 GLU A 101 20.621 9.772 7.696 1.00 0.00 O ATOM 0 H GLU A 101 16.471 8.045 3.925 1.00 0.00 H new ATOM 0 HA GLU A 101 16.830 10.571 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.181 8.322 5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 101 19.015 8.868 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 101 20.388 10.103 5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.029 11.064 5.730 1.00 0.00 H new ATOM 1694 N LYS A 102 17.950 10.386 2.078 1.00 0.00 N ATOM 1695 CA LYS A 102 18.332 11.219 0.939 1.00 0.00 C ATOM 1696 C LYS A 102 17.292 12.304 0.682 1.00 0.00 C ATOM 1697 O LYS A 102 17.629 13.481 0.547 1.00 0.00 O ATOM 1698 CB LYS A 102 18.510 10.361 -0.314 1.00 0.00 C ATOM 1699 CG LYS A 102 19.838 9.624 -0.364 1.00 0.00 C ATOM 1700 CD LYS A 102 20.848 10.355 -1.234 1.00 0.00 C ATOM 1701 CE LYS A 102 22.163 9.596 -1.321 1.00 0.00 C ATOM 1702 NZ LYS A 102 23.337 10.510 -1.261 1.00 0.00 N ATOM 0 H LYS A 102 18.004 9.382 1.906 1.00 0.00 H new ATOM 0 HA LYS A 102 19.280 11.700 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.699 9.635 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.424 10.997 -1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.235 9.518 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.682 8.618 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.438 10.489 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 102 21.027 11.350 -0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 102 22.221 8.876 -0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.193 9.027 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 24.214 9.954 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 23.296 11.181 -2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 23.323 11.035 -0.363 1.00 0.00 H new ATOM 1716 N GLY A 103 16.032 11.902 0.618 1.00 0.00 N ATOM 1717 CA GLY A 103 14.965 12.856 0.382 1.00 0.00 C ATOM 1718 C GLY A 103 13.915 12.318 -0.561 1.00 0.00 C ATOM 1719 O GLY A 103 13.574 12.958 -1.556 1.00 0.00 O ATOM 0 H GLY A 103 15.728 10.934 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.498 13.118 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.385 13.773 -0.030 1.00 0.00 H new ATOM 1723 N TYR A 104 13.403 11.134 -0.252 1.00 0.00 N ATOM 1724 CA TYR A 104 12.385 10.504 -1.087 1.00 0.00 C ATOM 1725 C TYR A 104 11.194 10.044 -0.253 1.00 0.00 C ATOM 1726 O TYR A 104 11.292 9.903 0.966 1.00 0.00 O ATOM 1727 CB TYR A 104 12.975 9.313 -1.846 1.00 0.00 C ATOM 1728 CG TYR A 104 14.107 9.679 -2.781 1.00 0.00 C ATOM 1729 CD1 TYR A 104 15.279 10.247 -2.297 1.00 0.00 C ATOM 1730 CD2 TYR A 104 14.004 9.452 -4.147 1.00 0.00 C ATOM 1731 CE1 TYR A 104 16.316 10.579 -3.148 1.00 0.00 C ATOM 1732 CE2 TYR A 104 15.037 9.782 -5.005 1.00 0.00 C ATOM 1733 CZ TYR A 104 16.189 10.344 -4.501 1.00 0.00 C ATOM 1734 OH TYR A 104 17.220 10.674 -5.351 1.00 0.00 O ATOM 0 H TYR A 104 13.674 10.591 0.568 1.00 0.00 H new ATOM 0 HA TYR A 104 12.038 11.249 -1.803 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.335 8.579 -1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.183 8.833 -2.421 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.381 10.432 -1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 104 13.103 9.011 -4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 104 17.221 11.020 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.941 9.600 -6.065 1.00 0.00 H new ATOM 0 HH TYR A 104 16.972 10.444 -6.271 1.00 0.00 H new ATOM 1744 N THR A 105 10.071 9.808 -0.923 1.00 0.00 N ATOM 1745 CA THR A 105 8.856 9.359 -0.253 1.00 0.00 C ATOM 1746 C THR A 105 8.258 8.156 -0.976 1.00 0.00 C ATOM 1747 O THR A 105 8.418 8.007 -2.187 1.00 0.00 O ATOM 1748 CB THR A 105 7.833 10.494 -0.188 1.00 0.00 C ATOM 1749 OG1 THR A 105 6.631 10.052 0.419 1.00 0.00 O ATOM 1750 CG2 THR A 105 7.480 11.059 -1.546 1.00 0.00 C ATOM 0 H THR A 105 9.977 9.921 -1.932 1.00 0.00 H new ATOM 0 HA THR A 105 9.116 9.061 0.763 1.00 0.00 H new ATOM 0 HB THR A 105 8.308 11.278 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.990 10.793 0.453 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.750 11.860 -1.428 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.378 11.454 -2.021 1.00 0.00 H new ATOM 0 HG23 THR A 105 7.057 10.271 -2.169 1.00 0.00 H new ATOM 1758 N ILE A 106 7.573 7.297 -0.228 1.00 0.00 N ATOM 1759 CA ILE A 106 6.958 6.106 -0.804 1.00 0.00 C ATOM 1760 C ILE A 106 5.447 6.125 -0.639 1.00 0.00 C ATOM 1761 O ILE A 106 4.928 6.414 0.438 1.00 0.00 O ATOM 1762 CB ILE A 106 7.519 4.811 -0.182 1.00 0.00 C ATOM 1763 CG1 ILE A 106 7.849 5.020 1.299 1.00 0.00 C ATOM 1764 CG2 ILE A 106 8.753 4.351 -0.943 1.00 0.00 C ATOM 1765 CD1 ILE A 106 8.183 3.737 2.027 1.00 0.00 C ATOM 0 H ILE A 106 7.430 7.403 0.776 1.00 0.00 H new ATOM 0 HA ILE A 106 7.203 6.119 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 106 6.756 4.036 -0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.692 5.706 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.000 5.497 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 106 9.138 3.436 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 106 8.489 4.160 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 106 9.518 5.127 -0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.406 3.958 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.333 3.057 1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 106 9.051 3.270 1.561 1.00 0.00 H new ATOM 1777 N ILE A 107 4.750 5.816 -1.726 1.00 0.00 N ATOM 1778 CA ILE A 107 3.296 5.797 -1.723 1.00 0.00 C ATOM 1779 C ILE A 107 2.763 4.520 -2.368 1.00 0.00 C ATOM 1780 O ILE A 107 3.400 3.952 -3.255 1.00 0.00 O ATOM 1781 CB ILE A 107 2.719 7.013 -2.470 1.00 0.00 C ATOM 1782 CG1 ILE A 107 3.574 7.350 -3.694 1.00 0.00 C ATOM 1783 CG2 ILE A 107 2.623 8.212 -1.538 1.00 0.00 C ATOM 1784 CD1 ILE A 107 2.794 8.003 -4.814 1.00 0.00 C ATOM 0 H ILE A 107 5.172 5.575 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 107 2.980 5.835 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 107 1.716 6.761 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.383 8.014 -3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.035 6.436 -4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.213 9.063 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.971 7.969 -0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.616 8.463 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.463 8.214 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 107 2.001 7.332 -5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.355 8.934 -4.457 1.00 0.00 H new ATOM 1796 N PRO A 108 1.583 4.048 -1.928 1.00 0.00 N ATOM 1797 CA PRO A 108 0.968 2.835 -2.466 1.00 0.00 C ATOM 1798 C PRO A 108 0.212 3.099 -3.762 1.00 0.00 C ATOM 1799 O PRO A 108 -0.555 4.057 -3.859 1.00 0.00 O ATOM 1800 CB PRO A 108 0.003 2.429 -1.357 1.00 0.00 C ATOM 1801 CG PRO A 108 -0.417 3.720 -0.739 1.00 0.00 C ATOM 1802 CD PRO A 108 0.754 4.661 -0.872 1.00 0.00 C ATOM 0 HA PRO A 108 1.703 2.071 -2.719 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.852 1.882 -1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.486 1.778 -0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -1.297 4.122 -1.242 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.685 3.580 0.308 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.431 5.664 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.303 4.751 0.065 1.00 0.00 H new ATOM 1810 N LEU A 109 0.432 2.248 -4.758 1.00 0.00 N ATOM 1811 CA LEU A 109 -0.233 2.401 -6.044 1.00 0.00 C ATOM 1812 C LEU A 109 -1.431 1.456 -6.160 1.00 0.00 C ATOM 1813 O LEU A 109 -2.548 1.818 -5.791 1.00 0.00 O ATOM 1814 CB LEU A 109 0.760 2.171 -7.189 1.00 0.00 C ATOM 1815 CG LEU A 109 0.208 2.447 -8.589 1.00 0.00 C ATOM 1816 CD1 LEU A 109 0.285 3.932 -8.908 1.00 0.00 C ATOM 1817 CD2 LEU A 109 0.964 1.634 -9.633 1.00 0.00 C ATOM 0 H LEU A 109 1.063 1.449 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.609 3.422 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.632 2.805 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.106 1.138 -7.148 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.839 2.144 -8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.112 4.110 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.302 4.492 -8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.324 4.260 -8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.557 1.844 -10.622 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.020 1.904 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.857 0.572 -9.414 1.00 0.00 H new ATOM 1829 N LYS A 110 -1.203 0.244 -6.666 1.00 0.00 N ATOM 1830 CA LYS A 110 -2.281 -0.729 -6.818 1.00 0.00 C ATOM 1831 C LYS A 110 -1.966 -2.036 -6.103 1.00 0.00 C ATOM 1832 O LYS A 110 -0.952 -2.682 -6.369 1.00 0.00 O ATOM 1833 CB LYS A 110 -2.543 -0.999 -8.300 1.00 0.00 C ATOM 1834 CG LYS A 110 -1.277 -1.250 -9.105 1.00 0.00 C ATOM 1835 CD LYS A 110 -1.462 -2.387 -10.098 1.00 0.00 C ATOM 1836 CE LYS A 110 -1.994 -1.881 -11.429 1.00 0.00 C ATOM 1837 NZ LYS A 110 -1.006 -1.015 -12.130 1.00 0.00 N ATOM 0 H LYS A 110 -0.288 -0.084 -6.975 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.175 -0.303 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.200 -1.864 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.073 -0.148 -8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.998 -0.341 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.456 -1.487 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.510 -2.894 -10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.151 -3.124 -9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.248 -2.729 -12.064 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.914 -1.321 -11.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.191 -1.035 -13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.092 -0.039 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.044 -1.365 -11.945 1.00 0.00 H new ATOM 1851 N LEU A 111 -2.870 -2.433 -5.219 1.00 0.00 N ATOM 1852 CA LEU A 111 -2.738 -3.672 -4.480 1.00 0.00 C ATOM 1853 C LEU A 111 -3.987 -4.525 -4.674 1.00 0.00 C ATOM 1854 O LEU A 111 -5.101 -4.087 -4.421 1.00 0.00 O ATOM 1855 CB LEU A 111 -2.503 -3.399 -2.992 1.00 0.00 C ATOM 1856 CG LEU A 111 -3.623 -2.636 -2.278 1.00 0.00 C ATOM 1857 CD1 LEU A 111 -3.967 -3.303 -0.955 1.00 0.00 C ATOM 1858 CD2 LEU A 111 -3.219 -1.186 -2.052 1.00 0.00 C ATOM 0 H LEU A 111 -3.713 -1.903 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.873 -4.214 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.355 -4.352 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.577 -2.834 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.509 -2.654 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.765 -2.746 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.298 -4.325 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.085 -3.316 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.026 -0.658 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.319 -1.150 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.022 -0.709 -3.012 1.00 0.00 H new ATOM 1870 N TYR A 112 -3.784 -5.743 -5.133 1.00 0.00 N ATOM 1871 CA TYR A 112 -4.880 -6.679 -5.375 1.00 0.00 C ATOM 1872 C TYR A 112 -4.531 -8.043 -4.801 1.00 0.00 C ATOM 1873 O TYR A 112 -3.350 -8.376 -4.703 1.00 0.00 O ATOM 1874 CB TYR A 112 -5.148 -6.796 -6.876 1.00 0.00 C ATOM 1875 CG TYR A 112 -3.950 -7.261 -7.673 1.00 0.00 C ATOM 1876 CD1 TYR A 112 -2.804 -6.479 -7.760 1.00 0.00 C ATOM 1877 CD2 TYR A 112 -3.966 -8.479 -8.340 1.00 0.00 C ATOM 1878 CE1 TYR A 112 -1.709 -6.900 -8.489 1.00 0.00 C ATOM 1879 CE2 TYR A 112 -2.873 -8.907 -9.070 1.00 0.00 C ATOM 1880 CZ TYR A 112 -1.748 -8.114 -9.142 1.00 0.00 C ATOM 1881 OH TYR A 112 -0.658 -8.536 -9.868 1.00 0.00 O ATOM 0 H TYR A 112 -2.861 -6.118 -5.350 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.779 -6.306 -4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.972 -7.492 -7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -5.471 -5.827 -7.255 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.769 -5.528 -7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.847 -9.102 -8.287 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.826 -6.281 -8.547 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.900 -9.858 -9.581 1.00 0.00 H new ATOM 0 HH TYR A 112 -0.848 -9.412 -10.264 1.00 0.00 H new ATOM 1891 N TRP A 113 -5.527 -8.844 -4.412 1.00 0.00 N ATOM 1892 CA TRP A 113 -5.211 -10.156 -3.856 1.00 0.00 C ATOM 1893 C TRP A 113 -5.650 -11.294 -4.770 1.00 0.00 C ATOM 1894 O TRP A 113 -6.817 -11.425 -5.132 1.00 0.00 O ATOM 1895 CB TRP A 113 -5.763 -10.338 -2.422 1.00 0.00 C ATOM 1896 CG TRP A 113 -7.172 -9.909 -2.247 1.00 0.00 C ATOM 1897 CD1 TRP A 113 -8.110 -9.937 -3.198 1.00 0.00 C ATOM 1898 CD2 TRP A 113 -7.804 -9.409 -1.061 1.00 0.00 C ATOM 1899 NE1 TRP A 113 -9.303 -9.456 -2.717 1.00 0.00 N ATOM 1900 CE2 TRP A 113 -9.140 -9.127 -1.398 1.00 0.00 C ATOM 1901 CE3 TRP A 113 -7.374 -9.163 0.246 1.00 0.00 C ATOM 1902 CZ2 TRP A 113 -10.048 -8.613 -0.478 1.00 0.00 C ATOM 1903 CZ3 TRP A 113 -8.276 -8.655 1.158 1.00 0.00 C ATOM 1904 CH2 TRP A 113 -9.599 -8.383 0.791 1.00 0.00 C ATOM 0 H TRP A 113 -6.520 -8.618 -4.469 1.00 0.00 H new ATOM 0 HA TRP A 113 -4.124 -10.200 -3.788 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.679 -11.389 -2.144 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -5.136 -9.775 -1.731 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -7.952 -10.289 -4.207 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -10.166 -9.360 -3.253 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.354 -9.367 0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.070 -8.404 -0.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.956 -8.464 2.172 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.280 -7.982 1.528 1.00 0.00 H new ATOM 1915 N LYS A 114 -4.678 -12.130 -5.118 1.00 0.00 N ATOM 1916 CA LYS A 114 -4.907 -13.288 -5.963 1.00 0.00 C ATOM 1917 C LYS A 114 -4.743 -14.537 -5.118 1.00 0.00 C ATOM 1918 O LYS A 114 -3.937 -14.555 -4.187 1.00 0.00 O ATOM 1919 CB LYS A 114 -3.925 -13.313 -7.138 1.00 0.00 C ATOM 1920 CG LYS A 114 -3.608 -11.937 -7.704 1.00 0.00 C ATOM 1921 CD LYS A 114 -2.155 -11.556 -7.468 1.00 0.00 C ATOM 1922 CE LYS A 114 -1.279 -11.939 -8.650 1.00 0.00 C ATOM 1923 NZ LYS A 114 -1.457 -13.367 -9.035 1.00 0.00 N ATOM 0 H LYS A 114 -3.709 -12.020 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.915 -13.241 -6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.997 -13.785 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.339 -13.935 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.819 -11.925 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.259 -11.194 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.083 -10.482 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.790 -12.050 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.519 -11.301 -9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.233 -11.758 -8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.738 -13.629 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.353 -13.969 -8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.405 -13.501 -9.442 1.00 0.00 H new ATOM 1937 N ASN A 115 -5.517 -15.568 -5.412 1.00 0.00 N ATOM 1938 CA ASN A 115 -5.452 -16.798 -4.635 1.00 0.00 C ATOM 1939 C ASN A 115 -6.098 -16.581 -3.270 1.00 0.00 C ATOM 1940 O ASN A 115 -7.007 -17.317 -2.885 1.00 0.00 O ATOM 1941 CB ASN A 115 -4.001 -17.267 -4.470 1.00 0.00 C ATOM 1942 CG ASN A 115 -3.782 -18.669 -5.002 1.00 0.00 C ATOM 1943 OD1 ASN A 115 -3.816 -19.644 -4.251 1.00 0.00 O ATOM 1944 ND2 ASN A 115 -3.555 -18.779 -6.306 1.00 0.00 N ATOM 0 H ASN A 115 -6.193 -15.581 -6.176 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.998 -17.575 -5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.338 -16.576 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.730 -17.235 -3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.400 -19.698 -6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.535 -17.945 -6.892 1.00 0.00 H new ATOM 1951 N ASN A 116 -5.642 -15.556 -2.539 1.00 0.00 N ATOM 1952 CA ASN A 116 -6.212 -15.260 -1.228 1.00 0.00 C ATOM 1953 C ASN A 116 -5.564 -14.053 -0.533 1.00 0.00 C ATOM 1954 O ASN A 116 -6.074 -13.604 0.494 1.00 0.00 O ATOM 1955 CB ASN A 116 -6.112 -16.489 -0.320 1.00 0.00 C ATOM 1956 CG ASN A 116 -7.412 -16.781 0.404 1.00 0.00 C ATOM 1957 OD1 ASN A 116 -8.166 -15.869 0.741 1.00 0.00 O ATOM 1958 ND2 ASN A 116 -7.682 -18.059 0.644 1.00 0.00 N ATOM 0 H ASN A 116 -4.892 -14.929 -2.831 1.00 0.00 H new ATOM 0 HA ASN A 116 -7.256 -14.999 -1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -5.829 -17.356 -0.917 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.319 -16.333 0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -8.543 -18.317 1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.028 -18.783 0.347 1.00 0.00 H new ATOM 1965 N LYS A 117 -4.454 -13.519 -1.056 1.00 0.00 N ATOM 1966 CA LYS A 117 -3.820 -12.369 -0.398 1.00 0.00 C ATOM 1967 C LYS A 117 -3.362 -11.297 -1.376 1.00 0.00 C ATOM 1968 O LYS A 117 -3.227 -11.542 -2.574 1.00 0.00 O ATOM 1969 CB LYS A 117 -2.659 -12.820 0.489 1.00 0.00 C ATOM 1970 CG LYS A 117 -3.078 -13.162 1.909 1.00 0.00 C ATOM 1971 CD LYS A 117 -2.555 -14.525 2.334 1.00 0.00 C ATOM 1972 CE LYS A 117 -2.864 -14.809 3.795 1.00 0.00 C ATOM 1973 NZ LYS A 117 -2.379 -16.153 4.215 1.00 0.00 N ATOM 0 H LYS A 117 -3.989 -13.849 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.588 -11.913 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.186 -13.692 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.908 -12.030 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.705 -12.399 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.166 -13.150 1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.002 -15.298 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -1.478 -14.569 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.401 -14.045 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -3.940 -14.744 3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -2.609 -16.308 5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.840 -16.885 3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.349 -16.207 4.084 1.00 0.00 H new ATOM 1987 N VAL A 118 -3.193 -10.081 -0.843 1.00 0.00 N ATOM 1988 CA VAL A 118 -2.834 -8.910 -1.648 1.00 0.00 C ATOM 1989 C VAL A 118 -1.339 -8.638 -1.759 1.00 0.00 C ATOM 1990 O VAL A 118 -0.564 -8.848 -0.827 1.00 0.00 O ATOM 1991 CB VAL A 118 -3.468 -7.609 -1.091 1.00 0.00 C ATOM 1992 CG1 VAL A 118 -3.759 -6.630 -2.217 1.00 0.00 C ATOM 1993 CG2 VAL A 118 -4.733 -7.879 -0.293 1.00 0.00 C ATOM 0 H VAL A 118 -3.301 -9.883 0.152 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.220 -9.168 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.740 -7.168 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -4.203 -5.724 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.830 -6.378 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -4.452 -7.085 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.139 -6.937 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.469 -8.366 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -4.499 -8.528 0.551 1.00 0.00 H new ATOM 2003 N LYS A 119 -0.991 -8.066 -2.905 1.00 0.00 N ATOM 2004 CA LYS A 119 0.351 -7.620 -3.203 1.00 0.00 C ATOM 2005 C LYS A 119 0.239 -6.146 -3.585 1.00 0.00 C ATOM 2006 O LYS A 119 -0.544 -5.791 -4.469 1.00 0.00 O ATOM 2007 CB LYS A 119 0.962 -8.433 -4.348 1.00 0.00 C ATOM 2008 CG LYS A 119 2.393 -8.877 -4.082 1.00 0.00 C ATOM 2009 CD LYS A 119 2.504 -10.392 -3.998 1.00 0.00 C ATOM 2010 CE LYS A 119 3.836 -10.882 -4.542 1.00 0.00 C ATOM 2011 NZ LYS A 119 3.722 -11.347 -5.952 1.00 0.00 N ATOM 0 H LYS A 119 -1.652 -7.899 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 119 1.006 -7.757 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.345 -9.313 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.939 -7.836 -5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.042 -8.508 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.745 -8.434 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.394 -10.709 -2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.690 -10.850 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.570 -10.078 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.205 -11.697 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.651 -11.673 -6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.040 -12.131 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.395 -10.562 -6.551 1.00 0.00 H new ATOM 2025 N VAL A 120 0.974 -5.288 -2.891 1.00 0.00 N ATOM 2026 CA VAL A 120 0.904 -3.852 -3.141 1.00 0.00 C ATOM 2027 C VAL A 120 2.161 -3.338 -3.827 1.00 0.00 C ATOM 2028 O VAL A 120 3.278 -3.668 -3.429 1.00 0.00 O ATOM 2029 CB VAL A 120 0.719 -3.070 -1.825 1.00 0.00 C ATOM 2030 CG1 VAL A 120 0.394 -1.611 -2.110 1.00 0.00 C ATOM 2031 CG2 VAL A 120 -0.358 -3.708 -0.959 1.00 0.00 C ATOM 0 H VAL A 120 1.624 -5.558 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 120 0.046 -3.694 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 120 1.658 -3.108 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.267 -1.076 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.209 -1.161 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.527 -1.550 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.469 -3.137 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.305 -3.712 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -0.073 -4.732 -0.720 1.00 0.00 H new ATOM 2041 N LEU A 121 1.974 -2.506 -4.845 1.00 0.00 N ATOM 2042 CA LEU A 121 3.096 -1.925 -5.561 1.00 0.00 C ATOM 2043 C LEU A 121 3.368 -0.522 -5.034 1.00 0.00 C ATOM 2044 O LEU A 121 2.475 0.325 -5.014 1.00 0.00 O ATOM 2045 CB LEU A 121 2.811 -1.879 -7.062 1.00 0.00 C ATOM 2046 CG LEU A 121 4.030 -1.606 -7.943 1.00 0.00 C ATOM 2047 CD1 LEU A 121 4.760 -2.902 -8.262 1.00 0.00 C ATOM 2048 CD2 LEU A 121 3.616 -0.895 -9.222 1.00 0.00 C ATOM 0 H LEU A 121 1.057 -2.221 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 121 3.977 -2.547 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.370 -2.830 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.065 -1.108 -7.251 1.00 0.00 H new ATOM 0 HG LEU A 121 4.712 -0.955 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 121 5.625 -2.687 -8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 121 5.092 -3.370 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.087 -3.578 -8.790 1.00 0.00 H new ATOM 0 HD21 LEU A 121 4.497 -0.709 -9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.914 -1.519 -9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.140 0.054 -8.973 1.00 0.00 H new ATOM 2060 N ILE A 122 4.598 -0.281 -4.596 1.00 0.00 N ATOM 2061 CA ILE A 122 4.967 1.021 -4.058 1.00 0.00 C ATOM 2062 C ILE A 122 5.939 1.747 -4.979 1.00 0.00 C ATOM 2063 O ILE A 122 6.938 1.178 -5.417 1.00 0.00 O ATOM 2064 CB ILE A 122 5.598 0.892 -2.657 1.00 0.00 C ATOM 2065 CG1 ILE A 122 6.876 0.052 -2.721 1.00 0.00 C ATOM 2066 CG2 ILE A 122 4.601 0.277 -1.686 1.00 0.00 C ATOM 2067 CD1 ILE A 122 7.549 -0.126 -1.378 1.00 0.00 C ATOM 0 H ILE A 122 5.353 -0.967 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 122 4.047 1.601 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 122 5.861 1.888 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.636 -0.929 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.577 0.523 -3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.059 0.191 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.717 0.911 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.312 -0.713 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 122 8.448 -0.731 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.820 0.850 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.865 -0.625 -0.692 1.00 0.00 H new ATOM 2079 N ALA A 123 5.639 3.006 -5.268 1.00 0.00 N ATOM 2080 CA ALA A 123 6.483 3.809 -6.139 1.00 0.00 C ATOM 2081 C ALA A 123 7.243 4.870 -5.349 1.00 0.00 C ATOM 2082 O ALA A 123 6.668 5.565 -4.508 1.00 0.00 O ATOM 2083 CB ALA A 123 5.647 4.460 -7.230 1.00 0.00 C ATOM 0 H ALA A 123 4.817 3.493 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 123 7.215 3.147 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 123 6.292 5.058 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 123 5.157 3.688 -7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 123 4.892 5.102 -6.776 1.00 0.00 H new ATOM 2089 N LEU A 124 8.535 4.992 -5.635 1.00 0.00 N ATOM 2090 CA LEU A 124 9.379 5.975 -4.965 1.00 0.00 C ATOM 2091 C LEU A 124 9.543 7.208 -5.846 1.00 0.00 C ATOM 2092 O LEU A 124 9.964 7.102 -6.997 1.00 0.00 O ATOM 2093 CB LEU A 124 10.753 5.373 -4.650 1.00 0.00 C ATOM 2094 CG LEU A 124 10.784 4.361 -3.501 1.00 0.00 C ATOM 2095 CD1 LEU A 124 9.643 3.362 -3.624 1.00 0.00 C ATOM 2096 CD2 LEU A 124 12.121 3.636 -3.468 1.00 0.00 C ATOM 0 H LEU A 124 9.021 4.422 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 124 8.901 6.265 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 124 11.132 4.887 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 124 11.440 6.185 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 124 10.658 4.907 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.688 2.655 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 124 8.691 3.892 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.732 2.823 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 124 12.127 2.920 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 124 12.272 3.108 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 124 12.924 4.359 -3.325 1.00 0.00 H new ATOM 2108 N ALA A 125 9.206 8.374 -5.305 1.00 0.00 N ATOM 2109 CA ALA A 125 9.312 9.617 -6.059 1.00 0.00 C ATOM 2110 C ALA A 125 10.208 10.628 -5.351 1.00 0.00 C ATOM 2111 O ALA A 125 10.426 10.543 -4.142 1.00 0.00 O ATOM 2112 CB ALA A 125 7.930 10.209 -6.293 1.00 0.00 C ATOM 0 H ALA A 125 8.859 8.484 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 125 9.769 9.385 -7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.022 11.137 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 125 7.322 9.501 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.455 10.413 -5.334 1.00 0.00 H new ATOM 2118 N LYS A 126 10.722 11.585 -6.117 1.00 0.00 N ATOM 2119 CA LYS A 126 11.595 12.618 -5.570 1.00 0.00 C ATOM 2120 C LYS A 126 11.172 14.001 -6.056 1.00 0.00 C ATOM 2121 O LYS A 126 10.609 14.143 -7.141 1.00 0.00 O ATOM 2122 CB LYS A 126 13.046 12.350 -5.970 1.00 0.00 C ATOM 2123 CG LYS A 126 14.054 13.199 -5.212 1.00 0.00 C ATOM 2124 CD LYS A 126 15.365 13.321 -5.973 1.00 0.00 C ATOM 2125 CE LYS A 126 15.884 14.751 -5.973 1.00 0.00 C ATOM 2126 NZ LYS A 126 16.167 15.237 -7.352 1.00 0.00 N ATOM 0 H LYS A 126 10.549 11.667 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 126 11.511 12.592 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 126 13.272 11.297 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 126 13.159 12.534 -7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 126 13.638 14.192 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 126 14.240 12.757 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 126 16.109 12.664 -5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 126 15.222 12.986 -7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 126 15.150 15.404 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 126 16.793 14.808 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 16.519 16.215 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 16.886 14.629 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 15.294 15.207 -7.917 1.00 0.00 H new ATOM 2140 N GLY A 127 11.448 15.019 -5.245 1.00 0.00 N ATOM 2141 CA GLY A 127 11.090 16.377 -5.611 1.00 0.00 C ATOM 2142 C GLY A 127 10.429 17.130 -4.474 1.00 0.00 C ATOM 2143 O GLY A 127 11.091 17.860 -3.737 1.00 0.00 O ATOM 0 H GLY A 127 11.913 14.927 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.986 16.913 -5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 127 10.416 16.353 -6.467 1.00 0.00 H new