USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 LYS NZ :NH3+ -120:sc= -0.0131 (180deg=-0.166) USER MOD Set 1.2: A 63 SER OG : rot -179:sc= 0 USER MOD Set 2.1: A 31 SER OG : rot 148:sc= 0.00317 USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= 0.0161 USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 67:sc= -0.265 USER MOD Single : A 17 GLN : amide:sc= -10.3! C(o=-10!,f=-9.6!) USER MOD Single : A 22 HIS : no HD1:sc= -2.55! X(o=-2.5!,f=-2.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -1.11 K(o=-1.1,f=-1.8!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 95:sc= 0.406 USER MOD Single : A 37 LYS NZ :NH3+ -152:sc= -0.438 (180deg=-1.38!) USER MOD Single : A 44 MET CE :methyl 178:sc= -2.34! (180deg=-2.42) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= -0.0297 (180deg=-0.255) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 124:sc= 1.76 USER MOD Single : A 80 SER OG : rot 32:sc= 0.0636 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 13:sc= 1.25 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.318 USER MOD Single : A 96 LYS NZ :NH3+ -154:sc= 0.5 (180deg=0.288) USER MOD Single : A 98 GLN : amide:sc= -0.0887 X(o=-0.089,f=-0.36) USER MOD Single : A 99 HIS : no HD1:sc= -1.35! K(o=-1.3!,f=-0.19) USER MOD Single : A 101 GLN : amide:sc= -0.561 K(o=-0.56,f=-0.022) USER MOD Single : A 103 SER OG : rot 100:sc= -1.72 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.200 22.224 3.892 1.00 0.00 N ATOM 67 CA GLU A 8 1.953 20.975 3.866 1.00 0.00 C ATOM 68 C GLU A 8 1.080 19.824 3.374 1.00 0.00 C ATOM 69 O GLU A 8 -0.108 20.003 3.103 1.00 0.00 O ATOM 70 CB GLU A 8 2.501 20.655 5.258 1.00 0.00 C ATOM 71 CG GLU A 8 1.423 20.511 6.318 1.00 0.00 C ATOM 72 CD GLU A 8 1.993 20.236 7.696 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.410 21.201 8.370 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.021 19.055 8.101 1.00 0.00 O ATOM 0 HA GLU A 8 2.787 21.097 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.076 19.730 5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.191 21.444 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.827 21.423 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.750 19.700 6.039 1.00 0.00 H new ATOM 81 N VAL A 9 1.677 18.642 3.260 1.00 0.00 N ATOM 82 CA VAL A 9 0.956 17.462 2.801 1.00 0.00 C ATOM 83 C VAL A 9 0.154 16.833 3.935 1.00 0.00 C ATOM 84 O VAL A 9 0.618 16.764 5.073 1.00 0.00 O ATOM 85 CB VAL A 9 1.917 16.407 2.220 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.898 15.936 3.282 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.136 15.235 1.646 1.00 0.00 C ATOM 0 H VAL A 9 2.659 18.477 3.480 1.00 0.00 H new ATOM 0 HA VAL A 9 0.275 17.792 2.017 1.00 0.00 H new ATOM 0 HB VAL A 9 2.487 16.865 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.569 15.191 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.480 16.784 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.349 15.494 4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.830 14.499 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.539 14.775 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.478 15.590 0.853 1.00 0.00 H new ATOM 97 N ASP A 10 -1.051 16.374 3.616 1.00 0.00 N ATOM 98 CA ASP A 10 -1.918 15.748 4.608 1.00 0.00 C ATOM 99 C ASP A 10 -2.280 14.326 4.193 1.00 0.00 C ATOM 100 O ASP A 10 -2.596 14.052 3.035 1.00 0.00 O ATOM 101 CB ASP A 10 -3.190 16.576 4.800 1.00 0.00 C ATOM 102 CG ASP A 10 -3.768 16.435 6.194 1.00 0.00 C ATOM 103 OD1 ASP A 10 -3.005 16.589 7.171 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.983 16.172 6.309 1.00 0.00 O ATOM 0 H ASP A 10 -1.450 16.423 2.679 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.376 15.705 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.969 17.626 4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.936 16.266 4.068 1.00 0.00 H new ATOM 109 N PRO A 11 -2.233 13.397 5.160 1.00 0.00 N ATOM 110 CA PRO A 11 -2.553 11.987 4.919 1.00 0.00 C ATOM 111 C PRO A 11 -4.037 11.767 4.644 1.00 0.00 C ATOM 112 O PRO A 11 -4.406 11.077 3.694 1.00 0.00 O ATOM 113 CB PRO A 11 -2.144 11.302 6.225 1.00 0.00 C ATOM 114 CG PRO A 11 -2.236 12.371 7.258 1.00 0.00 C ATOM 115 CD PRO A 11 -1.866 13.652 6.562 1.00 0.00 C ATOM 0 HA PRO A 11 -2.041 11.598 4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.806 10.468 6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.133 10.899 6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.243 12.428 7.672 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.561 12.169 8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.410 14.503 6.971 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.804 13.873 6.665 1.00 0.00 H new ATOM 123 N ALA A 12 -4.882 12.359 5.481 1.00 0.00 N ATOM 124 CA ALA A 12 -6.326 12.229 5.327 1.00 0.00 C ATOM 125 C ALA A 12 -6.761 12.586 3.909 1.00 0.00 C ATOM 126 O ALA A 12 -7.811 12.145 3.441 1.00 0.00 O ATOM 127 CB ALA A 12 -7.046 13.108 6.339 1.00 0.00 C ATOM 0 H ALA A 12 -4.592 12.933 6.273 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.594 11.189 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.123 13.001 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.767 12.804 7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.764 14.149 6.182 1.00 0.00 H new ATOM 133 N LYS A 13 -5.947 13.387 3.230 1.00 0.00 N ATOM 134 CA LYS A 13 -6.246 13.803 1.865 1.00 0.00 C ATOM 135 C LYS A 13 -5.551 12.896 0.855 1.00 0.00 C ATOM 136 O LYS A 13 -5.968 12.804 -0.300 1.00 0.00 O ATOM 137 CB LYS A 13 -5.814 15.255 1.646 1.00 0.00 C ATOM 138 CG LYS A 13 -6.218 16.187 2.775 1.00 0.00 C ATOM 139 CD LYS A 13 -7.608 16.760 2.555 1.00 0.00 C ATOM 140 CE LYS A 13 -8.681 15.863 3.152 1.00 0.00 C ATOM 141 NZ LYS A 13 -8.956 16.198 4.577 1.00 0.00 N ATOM 0 H LYS A 13 -5.075 13.761 3.603 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.323 13.725 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.731 15.289 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.248 15.618 0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.192 15.646 3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.496 17.000 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.669 17.751 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.787 16.882 1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.599 15.960 2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.366 14.822 3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.693 15.564 4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.086 16.081 5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.281 17.184 4.645 1.00 0.00 H new ATOM 155 N CYS A 14 -4.491 12.229 1.298 1.00 0.00 N ATOM 156 CA CYS A 14 -3.738 11.329 0.432 1.00 0.00 C ATOM 157 C CYS A 14 -4.593 10.137 0.012 1.00 0.00 C ATOM 158 O CYS A 14 -5.459 9.686 0.761 1.00 0.00 O ATOM 159 CB CYS A 14 -2.476 10.840 1.143 1.00 0.00 C ATOM 160 SG CYS A 14 -1.135 12.053 1.184 1.00 0.00 S ATOM 0 H CYS A 14 -4.134 12.294 2.251 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.451 11.882 -0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.732 10.563 2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.120 9.937 0.648 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.484 13.061 1.927 1.00 0.00 H new ATOM 166 N VAL A 15 -4.344 9.633 -1.193 1.00 0.00 N ATOM 167 CA VAL A 15 -5.091 8.494 -1.714 1.00 0.00 C ATOM 168 C VAL A 15 -4.178 7.539 -2.474 1.00 0.00 C ATOM 169 O VAL A 15 -3.044 7.883 -2.811 1.00 0.00 O ATOM 170 CB VAL A 15 -6.231 8.949 -2.645 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.511 9.170 -1.854 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.833 10.210 -3.396 1.00 0.00 C ATOM 0 H VAL A 15 -3.631 9.995 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.518 7.976 -0.855 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.416 8.162 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.305 9.491 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.803 8.240 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.344 9.938 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.650 10.518 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.619 11.006 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.944 10.011 -3.995 1.00 0.00 H new ATOM 182 N LEU A 16 -4.679 6.338 -2.743 1.00 0.00 N ATOM 183 CA LEU A 16 -3.909 5.332 -3.465 1.00 0.00 C ATOM 184 C LEU A 16 -4.615 4.928 -4.755 1.00 0.00 C ATOM 185 O LEU A 16 -5.841 4.981 -4.845 1.00 0.00 O ATOM 186 CB LEU A 16 -3.688 4.101 -2.584 1.00 0.00 C ATOM 187 CG LEU A 16 -3.145 4.370 -1.180 1.00 0.00 C ATOM 188 CD1 LEU A 16 -3.635 3.309 -0.206 1.00 0.00 C ATOM 189 CD2 LEU A 16 -1.624 4.419 -1.196 1.00 0.00 C ATOM 0 H LEU A 16 -5.615 6.038 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.942 5.765 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.636 3.571 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.998 3.431 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.516 5.339 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.239 3.517 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.724 3.322 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.294 2.328 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.256 4.611 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.233 3.465 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.293 5.216 -1.862 1.00 0.00 H new ATOM 201 N GLN A 17 -3.833 4.522 -5.750 1.00 0.00 N ATOM 202 CA GLN A 17 -4.384 4.107 -7.034 1.00 0.00 C ATOM 203 C GLN A 17 -4.020 2.658 -7.340 1.00 0.00 C ATOM 204 O GLN A 17 -2.915 2.208 -7.041 1.00 0.00 O ATOM 205 CB GLN A 17 -3.875 5.020 -8.151 1.00 0.00 C ATOM 206 CG GLN A 17 -4.374 6.452 -8.042 1.00 0.00 C ATOM 207 CD GLN A 17 -4.306 6.987 -6.625 1.00 0.00 C ATOM 208 OE1 GLN A 17 -5.316 7.407 -6.059 1.00 0.00 O ATOM 209 NE2 GLN A 17 -3.113 6.975 -6.044 1.00 0.00 N ATOM 0 H GLN A 17 -2.816 4.472 -5.691 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.470 4.185 -6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.785 5.022 -8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.182 4.609 -9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.780 7.090 -8.696 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.404 6.502 -8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.303 6.618 -6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.006 7.323 -5.091 1.00 0.00 H new ATOM 218 N GLY A 18 -4.959 1.931 -7.939 1.00 0.00 N ATOM 219 CA GLY A 18 -4.718 0.540 -8.275 1.00 0.00 C ATOM 220 C GLY A 18 -5.997 -0.271 -8.340 1.00 0.00 C ATOM 221 O GLY A 18 -6.518 -0.703 -7.313 1.00 0.00 O ATOM 0 H GLY A 18 -5.882 2.281 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.207 0.485 -9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.050 0.101 -7.534 1.00 0.00 H new ATOM 225 N GLU A 19 -6.504 -0.477 -9.552 1.00 0.00 N ATOM 226 CA GLU A 19 -7.732 -1.239 -9.746 1.00 0.00 C ATOM 227 C GLU A 19 -7.762 -2.463 -8.835 1.00 0.00 C ATOM 228 O GLU A 19 -8.808 -2.822 -8.293 1.00 0.00 O ATOM 229 CB GLU A 19 -7.864 -1.674 -11.207 1.00 0.00 C ATOM 230 CG GLU A 19 -7.834 -0.517 -12.191 1.00 0.00 C ATOM 231 CD GLU A 19 -7.261 -0.911 -13.538 1.00 0.00 C ATOM 232 OE1 GLU A 19 -6.056 -1.232 -13.600 1.00 0.00 O ATOM 233 OE2 GLU A 19 -8.019 -0.899 -14.531 1.00 0.00 O ATOM 0 H GLU A 19 -6.084 -0.127 -10.413 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.573 -0.595 -9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.055 -2.365 -11.446 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.798 -2.222 -11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.846 -0.136 -12.328 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.241 0.296 -11.772 1.00 0.00 H new ATOM 240 N ASP A 20 -6.608 -3.100 -8.671 1.00 0.00 N ATOM 241 CA ASP A 20 -6.500 -4.283 -7.826 1.00 0.00 C ATOM 242 C ASP A 20 -5.696 -3.980 -6.566 1.00 0.00 C ATOM 243 O ASP A 20 -4.587 -4.484 -6.387 1.00 0.00 O ATOM 244 CB ASP A 20 -5.846 -5.430 -8.599 1.00 0.00 C ATOM 245 CG ASP A 20 -4.629 -4.980 -9.383 1.00 0.00 C ATOM 246 OD1 ASP A 20 -3.565 -4.776 -8.761 1.00 0.00 O ATOM 247 OD2 ASP A 20 -4.740 -4.833 -10.618 1.00 0.00 O ATOM 0 H ASP A 20 -5.733 -2.816 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.506 -4.581 -7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.555 -6.215 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.575 -5.865 -9.283 1.00 0.00 H new ATOM 252 N LEU A 21 -6.263 -3.152 -5.694 1.00 0.00 N ATOM 253 CA LEU A 21 -5.599 -2.780 -4.450 1.00 0.00 C ATOM 254 C LEU A 21 -6.060 -3.669 -3.299 1.00 0.00 C ATOM 255 O LEU A 21 -5.272 -4.032 -2.426 1.00 0.00 O ATOM 256 CB LEU A 21 -5.878 -1.313 -4.119 1.00 0.00 C ATOM 257 CG LEU A 21 -4.906 -0.294 -4.715 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.283 1.116 -4.289 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.477 -0.614 -4.300 1.00 0.00 C ATOM 0 H LEU A 21 -7.180 -2.726 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.526 -2.918 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.884 -1.069 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.874 -1.199 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.970 -0.353 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.580 1.827 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.291 1.344 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.249 1.189 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.799 0.121 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.398 -0.584 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.209 -1.609 -4.656 1.00 0.00 H new ATOM 271 N HIS A 22 -7.343 -4.019 -3.306 1.00 0.00 N ATOM 272 CA HIS A 22 -7.909 -4.868 -2.264 1.00 0.00 C ATOM 273 C HIS A 22 -7.900 -6.332 -2.693 1.00 0.00 C ATOM 274 O HIS A 22 -8.696 -7.136 -2.207 1.00 0.00 O ATOM 275 CB HIS A 22 -9.337 -4.429 -1.939 1.00 0.00 C ATOM 276 CG HIS A 22 -9.406 -3.257 -1.009 1.00 0.00 C ATOM 277 ND1 HIS A 22 -9.985 -3.322 0.241 1.00 0.00 N ATOM 278 CD2 HIS A 22 -8.963 -1.986 -1.152 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.896 -2.140 0.826 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.280 -1.312 0.002 1.00 0.00 N ATOM 0 H HIS A 22 -8.009 -3.728 -4.021 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.293 -4.765 -1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.851 -4.177 -2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.874 -5.267 -1.495 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.455 -1.578 -2.013 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.265 -1.893 1.811 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.073 -0.331 0.192 1.00 0.00 H new ATOM 289 N ARG A 23 -6.995 -6.671 -3.605 1.00 0.00 N ATOM 290 CA ARG A 23 -6.883 -8.038 -4.100 1.00 0.00 C ATOM 291 C ARG A 23 -5.535 -8.263 -4.777 1.00 0.00 C ATOM 292 O ARG A 23 -4.988 -7.360 -5.409 1.00 0.00 O ATOM 293 CB ARG A 23 -8.016 -8.341 -5.083 1.00 0.00 C ATOM 294 CG ARG A 23 -8.436 -9.802 -5.097 1.00 0.00 C ATOM 295 CD ARG A 23 -9.644 -10.025 -5.992 1.00 0.00 C ATOM 296 NE ARG A 23 -10.792 -9.225 -5.574 1.00 0.00 N ATOM 297 CZ ARG A 23 -10.984 -7.964 -5.947 1.00 0.00 C ATOM 298 NH1 ARG A 23 -10.110 -7.365 -6.743 1.00 0.00 N ATOM 299 NH2 ARG A 23 -12.053 -7.302 -5.524 1.00 0.00 N ATOM 0 H ARG A 23 -6.328 -6.018 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.959 -8.713 -3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.880 -7.726 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.702 -8.052 -6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.606 -10.417 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.669 -10.125 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.384 -9.775 -7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.914 -11.081 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.484 -9.658 -4.962 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.288 -7.872 -7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.260 -6.397 -7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.728 -7.761 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.200 -6.334 -5.811 1.00 0.00 H new ATOM 313 N ALA A 24 -5.004 -9.474 -4.639 1.00 0.00 N ATOM 314 CA ALA A 24 -3.720 -9.818 -5.238 1.00 0.00 C ATOM 315 C ALA A 24 -3.655 -11.302 -5.581 1.00 0.00 C ATOM 316 O ALA A 24 -4.471 -12.094 -5.110 1.00 0.00 O ATOM 317 CB ALA A 24 -2.582 -9.440 -4.301 1.00 0.00 C ATOM 0 H ALA A 24 -5.443 -10.233 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.616 -9.253 -6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.629 -9.703 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.609 -8.367 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.691 -9.979 -3.360 1.00 0.00 H new ATOM 323 N ARG A 25 -2.681 -11.672 -6.406 1.00 0.00 N ATOM 324 CA ARG A 25 -2.511 -13.061 -6.814 1.00 0.00 C ATOM 325 C ARG A 25 -1.293 -13.682 -6.136 1.00 0.00 C ATOM 326 O ARG A 25 -0.213 -13.091 -6.118 1.00 0.00 O ATOM 327 CB ARG A 25 -2.365 -13.154 -8.334 1.00 0.00 C ATOM 328 CG ARG A 25 -2.207 -14.577 -8.845 1.00 0.00 C ATOM 329 CD ARG A 25 -2.017 -14.610 -10.353 1.00 0.00 C ATOM 330 NE ARG A 25 -3.232 -14.226 -11.067 1.00 0.00 N ATOM 331 CZ ARG A 25 -3.566 -12.966 -11.324 1.00 0.00 C ATOM 332 NH1 ARG A 25 -2.780 -11.974 -10.929 1.00 0.00 N ATOM 333 NH2 ARG A 25 -4.688 -12.697 -11.979 1.00 0.00 N ATOM 0 H ARG A 25 -1.997 -11.029 -6.805 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.398 -13.615 -6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.240 -12.704 -8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.500 -12.568 -8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.351 -15.046 -8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.087 -15.161 -8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.206 -13.937 -10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.719 -15.613 -10.659 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.858 -14.965 -11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.916 -12.177 -10.426 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.039 -11.008 -11.128 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.295 -13.458 -12.285 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.944 -11.730 -12.176 1.00 0.00 H new ATOM 347 N GLU A 26 -1.475 -14.875 -5.581 1.00 0.00 N ATOM 348 CA GLU A 26 -0.391 -15.574 -4.901 1.00 0.00 C ATOM 349 C GLU A 26 0.903 -15.483 -5.704 1.00 0.00 C ATOM 350 O GLU A 26 0.904 -15.651 -6.924 1.00 0.00 O ATOM 351 CB GLU A 26 -0.763 -17.041 -4.676 1.00 0.00 C ATOM 352 CG GLU A 26 0.401 -17.899 -4.207 1.00 0.00 C ATOM 353 CD GLU A 26 1.221 -18.449 -5.359 1.00 0.00 C ATOM 354 OE1 GLU A 26 0.988 -18.022 -6.509 1.00 0.00 O ATOM 355 OE2 GLU A 26 2.095 -19.305 -5.110 1.00 0.00 O ATOM 0 H GLU A 26 -2.362 -15.378 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.233 -15.095 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.564 -17.095 -3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.157 -17.454 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.045 -17.307 -3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.020 -18.727 -3.609 1.00 0.00 H new ATOM 362 N LYS A 27 2.005 -15.216 -5.011 1.00 0.00 N ATOM 363 CA LYS A 27 3.307 -15.103 -5.658 1.00 0.00 C ATOM 364 C LYS A 27 3.249 -14.132 -6.833 1.00 0.00 C ATOM 365 O LYS A 27 3.766 -14.419 -7.912 1.00 0.00 O ATOM 366 CB LYS A 27 3.781 -16.476 -6.140 1.00 0.00 C ATOM 367 CG LYS A 27 4.360 -17.342 -5.034 1.00 0.00 C ATOM 368 CD LYS A 27 5.029 -18.587 -5.593 1.00 0.00 C ATOM 369 CE LYS A 27 6.063 -19.145 -4.628 1.00 0.00 C ATOM 370 NZ LYS A 27 6.619 -20.443 -5.102 1.00 0.00 N ATOM 0 H LYS A 27 2.022 -15.074 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 27 4.016 -14.717 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.943 -17.000 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.535 -16.339 -6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.085 -16.765 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.567 -17.632 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.274 -19.346 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.508 -18.349 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.873 -18.425 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.608 -19.281 -3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.320 -20.791 -4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.850 -21.137 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.075 -20.308 -6.027 1.00 0.00 H new ATOM 384 N GLN A 28 2.617 -12.983 -6.615 1.00 0.00 N ATOM 385 CA GLN A 28 2.493 -11.971 -7.656 1.00 0.00 C ATOM 386 C GLN A 28 3.055 -10.634 -7.186 1.00 0.00 C ATOM 387 O GLN A 28 3.049 -10.330 -5.992 1.00 0.00 O ATOM 388 CB GLN A 28 1.028 -11.806 -8.065 1.00 0.00 C ATOM 389 CG GLN A 28 0.839 -11.015 -9.349 1.00 0.00 C ATOM 390 CD GLN A 28 0.900 -11.890 -10.587 1.00 0.00 C ATOM 391 OE1 GLN A 28 1.745 -12.779 -10.692 1.00 0.00 O ATOM 392 NE2 GLN A 28 0.001 -11.641 -11.532 1.00 0.00 N ATOM 0 H GLN A 28 2.183 -12.730 -5.727 1.00 0.00 H new ATOM 0 HA GLN A 28 3.069 -12.303 -8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.580 -12.792 -8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.489 -11.308 -7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.123 -10.503 -9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.608 -10.246 -9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.681 -10.894 -11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.007 -12.197 -12.387 1.00 0.00 H new ATOM 401 N THR A 29 3.541 -9.836 -8.131 1.00 0.00 N ATOM 402 CA THR A 29 4.109 -8.532 -7.814 1.00 0.00 C ATOM 403 C THR A 29 3.079 -7.423 -8.001 1.00 0.00 C ATOM 404 O THR A 29 2.802 -7.005 -9.124 1.00 0.00 O ATOM 405 CB THR A 29 5.340 -8.227 -8.688 1.00 0.00 C ATOM 406 OG1 THR A 29 6.287 -9.296 -8.591 1.00 0.00 O ATOM 407 CG2 THR A 29 5.995 -6.921 -8.263 1.00 0.00 C ATOM 0 H THR A 29 3.553 -10.070 -9.124 1.00 0.00 H new ATOM 0 HA THR A 29 4.415 -8.567 -6.769 1.00 0.00 H new ATOM 0 HB THR A 29 5.009 -8.129 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.066 -9.095 -9.151 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.862 -6.726 -8.894 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.280 -6.105 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.313 -6.995 -7.223 1.00 0.00 H new ATOM 415 N ALA A 30 2.517 -6.951 -6.893 1.00 0.00 N ATOM 416 CA ALA A 30 1.519 -5.889 -6.936 1.00 0.00 C ATOM 417 C ALA A 30 2.147 -4.534 -6.628 1.00 0.00 C ATOM 418 O ALA A 30 2.777 -4.354 -5.585 1.00 0.00 O ATOM 419 CB ALA A 30 0.391 -6.185 -5.959 1.00 0.00 C ATOM 0 H ALA A 30 2.736 -7.287 -5.955 1.00 0.00 H new ATOM 0 HA ALA A 30 1.109 -5.849 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.347 -5.384 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.083 -7.130 -6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.794 -6.254 -4.948 1.00 0.00 H new ATOM 425 N SER A 31 1.972 -3.584 -7.541 1.00 0.00 N ATOM 426 CA SER A 31 2.526 -2.246 -7.368 1.00 0.00 C ATOM 427 C SER A 31 1.449 -1.184 -7.564 1.00 0.00 C ATOM 428 O SER A 31 0.704 -1.211 -8.544 1.00 0.00 O ATOM 429 CB SER A 31 3.672 -2.015 -8.354 1.00 0.00 C ATOM 430 OG SER A 31 3.180 -1.662 -9.635 1.00 0.00 O ATOM 0 H SER A 31 1.451 -3.716 -8.408 1.00 0.00 H new ATOM 0 HA SER A 31 2.910 -2.166 -6.351 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.323 -1.225 -7.981 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.278 -2.918 -8.430 1.00 0.00 H new ATOM 0 HG SER A 31 3.809 -1.049 -10.069 1.00 0.00 H new ATOM 436 N PHE A 32 1.373 -0.247 -6.624 1.00 0.00 N ATOM 437 CA PHE A 32 0.387 0.825 -6.691 1.00 0.00 C ATOM 438 C PHE A 32 1.058 2.190 -6.566 1.00 0.00 C ATOM 439 O PHE A 32 2.247 2.285 -6.260 1.00 0.00 O ATOM 440 CB PHE A 32 -0.659 0.656 -5.587 1.00 0.00 C ATOM 441 CG PHE A 32 -0.062 0.426 -4.227 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.390 -0.830 -3.858 1.00 0.00 C ATOM 443 CD2 PHE A 32 0.045 1.467 -3.319 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.939 -1.045 -2.608 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.594 1.258 -2.068 1.00 0.00 C ATOM 446 CZ PHE A 32 1.041 0.001 -1.711 1.00 0.00 C ATOM 0 H PHE A 32 1.983 -0.209 -5.807 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.107 0.769 -7.661 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.288 1.546 -5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.308 -0.183 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.313 -1.651 -4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.304 2.452 -3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.288 -2.029 -2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.673 2.078 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.469 -0.164 -0.733 1.00 0.00 H new ATOM 456 N THR A 33 0.287 3.246 -6.807 1.00 0.00 N ATOM 457 CA THR A 33 0.806 4.605 -6.724 1.00 0.00 C ATOM 458 C THR A 33 0.185 5.360 -5.554 1.00 0.00 C ATOM 459 O THR A 33 -1.036 5.388 -5.398 1.00 0.00 O ATOM 460 CB THR A 33 0.542 5.388 -8.024 1.00 0.00 C ATOM 461 OG1 THR A 33 1.323 4.842 -9.092 1.00 0.00 O ATOM 462 CG2 THR A 33 0.876 6.861 -7.846 1.00 0.00 C ATOM 0 H THR A 33 -0.699 3.186 -7.061 1.00 0.00 H new ATOM 0 HA THR A 33 1.882 4.523 -6.570 1.00 0.00 H new ATOM 0 HB THR A 33 -0.517 5.299 -8.267 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.148 5.344 -9.915 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.682 7.393 -8.777 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.258 7.281 -7.052 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.928 6.966 -7.581 1.00 0.00 H new ATOM 470 N LEU A 34 1.033 5.973 -4.735 1.00 0.00 N ATOM 471 CA LEU A 34 0.566 6.730 -3.578 1.00 0.00 C ATOM 472 C LEU A 34 0.555 8.226 -3.875 1.00 0.00 C ATOM 473 O LEU A 34 1.607 8.853 -4.003 1.00 0.00 O ATOM 474 CB LEU A 34 1.455 6.446 -2.366 1.00 0.00 C ATOM 475 CG LEU A 34 1.387 7.467 -1.230 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.008 7.498 -0.624 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.426 7.150 -0.165 1.00 0.00 C ATOM 0 H LEU A 34 2.046 5.961 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.453 6.415 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.187 5.468 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.488 6.379 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 34 1.605 8.453 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.038 8.230 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.732 7.773 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.255 6.513 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.363 7.887 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.239 6.156 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.422 7.180 -0.608 1.00 0.00 H new ATOM 489 N LEU A 35 -0.642 8.793 -3.983 1.00 0.00 N ATOM 490 CA LEU A 35 -0.791 10.217 -4.263 1.00 0.00 C ATOM 491 C LEU A 35 -0.571 11.046 -3.001 1.00 0.00 C ATOM 492 O LEU A 35 -0.927 10.624 -1.900 1.00 0.00 O ATOM 493 CB LEU A 35 -2.180 10.501 -4.837 1.00 0.00 C ATOM 494 CG LEU A 35 -2.396 10.104 -6.298 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.877 10.118 -6.642 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.623 11.034 -7.223 1.00 0.00 C ATOM 0 H LEU A 35 -1.523 8.289 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.036 10.499 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.917 9.979 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.381 11.568 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.021 9.090 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.011 9.833 -7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.406 9.412 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.277 11.120 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.788 10.737 -8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.967 12.058 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.559 10.974 -6.994 1.00 0.00 H new ATOM 508 N CYS A 36 0.015 12.226 -3.170 1.00 0.00 N ATOM 509 CA CYS A 36 0.281 13.115 -2.045 1.00 0.00 C ATOM 510 C CYS A 36 -0.419 14.457 -2.235 1.00 0.00 C ATOM 511 O CYS A 36 -0.019 15.265 -3.073 1.00 0.00 O ATOM 512 CB CYS A 36 1.786 13.330 -1.883 1.00 0.00 C ATOM 513 SG CYS A 36 2.760 11.807 -1.940 1.00 0.00 S ATOM 0 H CYS A 36 0.315 12.589 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.111 12.646 -1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.133 14.000 -2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.970 13.831 -0.933 1.00 0.00 H new ATOM 0 HG CYS A 36 3.191 11.612 -3.151 1.00 0.00 H new ATOM 519 N LYS A 37 -1.468 14.687 -1.453 1.00 0.00 N ATOM 520 CA LYS A 37 -2.225 15.931 -1.534 1.00 0.00 C ATOM 521 C LYS A 37 -2.100 16.730 -0.241 1.00 0.00 C ATOM 522 O LYS A 37 -1.782 16.177 0.813 1.00 0.00 O ATOM 523 CB LYS A 37 -3.699 15.636 -1.823 1.00 0.00 C ATOM 524 CG LYS A 37 -3.958 15.173 -3.247 1.00 0.00 C ATOM 525 CD LYS A 37 -3.721 13.680 -3.399 1.00 0.00 C ATOM 526 CE LYS A 37 -4.417 13.129 -4.635 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.834 13.577 -4.719 1.00 0.00 N ATOM 0 H LYS A 37 -1.814 14.028 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.812 16.526 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.050 14.870 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.286 16.534 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.985 15.410 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.308 15.717 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.651 13.485 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.085 13.160 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.881 13.451 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.381 12.040 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.392 12.869 -5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.220 13.688 -3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.881 14.488 -5.219 1.00 0.00 H new ATOM 541 N ASP A 38 -2.353 18.031 -0.328 1.00 0.00 N ATOM 542 CA ASP A 38 -2.271 18.905 0.837 1.00 0.00 C ATOM 543 C ASP A 38 -3.587 18.907 1.608 1.00 0.00 C ATOM 544 O ASP A 38 -4.540 18.227 1.231 1.00 0.00 O ATOM 545 CB ASP A 38 -1.914 20.329 0.407 1.00 0.00 C ATOM 546 CG ASP A 38 -2.626 20.745 -0.865 1.00 0.00 C ATOM 547 OD1 ASP A 38 -3.577 20.045 -1.270 1.00 0.00 O ATOM 548 OD2 ASP A 38 -2.232 21.773 -1.456 1.00 0.00 O ATOM 0 H ASP A 38 -2.616 18.504 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.488 18.525 1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.171 21.023 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.837 20.401 0.257 1.00 0.00 H new ATOM 553 N ALA A 39 -3.630 19.676 2.691 1.00 0.00 N ATOM 554 CA ALA A 39 -4.829 19.767 3.516 1.00 0.00 C ATOM 555 C ALA A 39 -6.035 20.196 2.686 1.00 0.00 C ATOM 556 O ALA A 39 -7.180 19.984 3.082 1.00 0.00 O ATOM 557 CB ALA A 39 -4.606 20.738 4.666 1.00 0.00 C ATOM 0 H ALA A 39 -2.849 20.245 3.018 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.035 18.778 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.509 20.796 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.777 20.389 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.372 21.726 4.268 1.00 0.00 H new ATOM 563 N ALA A 40 -5.768 20.800 1.532 1.00 0.00 N ATOM 564 CA ALA A 40 -6.832 21.257 0.646 1.00 0.00 C ATOM 565 C ALA A 40 -7.375 20.109 -0.198 1.00 0.00 C ATOM 566 O ALA A 40 -8.479 20.188 -0.735 1.00 0.00 O ATOM 567 CB ALA A 40 -6.327 22.379 -0.249 1.00 0.00 C ATOM 0 H ALA A 40 -4.825 20.984 1.189 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.647 21.637 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.131 22.711 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.994 23.214 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.493 22.017 -0.851 1.00 0.00 H new ATOM 573 N GLY A 41 -6.590 19.041 -0.312 1.00 0.00 N ATOM 574 CA GLY A 41 -7.009 17.892 -1.093 1.00 0.00 C ATOM 575 C GLY A 41 -6.644 18.023 -2.558 1.00 0.00 C ATOM 576 O GLY A 41 -7.215 17.342 -3.409 1.00 0.00 O ATOM 0 H GLY A 41 -5.672 18.952 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.548 16.992 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.088 17.767 -1.000 1.00 0.00 H new ATOM 580 N GLU A 42 -5.692 18.902 -2.853 1.00 0.00 N ATOM 581 CA GLU A 42 -5.254 19.121 -4.227 1.00 0.00 C ATOM 582 C GLU A 42 -3.796 18.707 -4.406 1.00 0.00 C ATOM 583 O GLU A 42 -3.034 18.646 -3.441 1.00 0.00 O ATOM 584 CB GLU A 42 -5.429 20.591 -4.613 1.00 0.00 C ATOM 585 CG GLU A 42 -4.316 21.491 -4.104 1.00 0.00 C ATOM 586 CD GLU A 42 -4.774 22.920 -3.885 1.00 0.00 C ATOM 587 OE1 GLU A 42 -5.434 23.476 -4.788 1.00 0.00 O ATOM 588 OE2 GLU A 42 -4.474 23.482 -2.811 1.00 0.00 O ATOM 0 H GLU A 42 -5.209 19.474 -2.160 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.871 18.505 -4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.480 20.669 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.382 20.949 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.930 21.090 -3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.492 21.483 -4.818 1.00 0.00 H new ATOM 595 N ILE A 43 -3.417 18.423 -5.648 1.00 0.00 N ATOM 596 CA ILE A 43 -2.051 18.015 -5.954 1.00 0.00 C ATOM 597 C ILE A 43 -1.056 19.115 -5.598 1.00 0.00 C ATOM 598 O ILE A 43 -1.239 20.274 -5.966 1.00 0.00 O ATOM 599 CB ILE A 43 -1.891 17.656 -7.443 1.00 0.00 C ATOM 600 CG1 ILE A 43 -2.687 16.392 -7.773 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.421 17.468 -7.787 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.046 15.122 -7.257 1.00 0.00 C ATOM 0 H ILE A 43 -4.036 18.468 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.843 17.131 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.283 18.477 -8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.688 16.482 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.803 16.317 -8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.324 17.215 -8.843 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.121 18.392 -7.584 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.006 16.663 -7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.665 14.266 -7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.056 15.008 -7.699 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.955 15.175 -6.172 1.00 0.00 H new ATOM 614 N MET A 44 -0.001 18.741 -4.880 1.00 0.00 N ATOM 615 CA MET A 44 1.025 19.695 -4.477 1.00 0.00 C ATOM 616 C MET A 44 2.199 19.674 -5.450 1.00 0.00 C ATOM 617 O MET A 44 2.852 20.693 -5.673 1.00 0.00 O ATOM 618 CB MET A 44 1.515 19.383 -3.062 1.00 0.00 C ATOM 619 CG MET A 44 1.757 17.903 -2.816 1.00 0.00 C ATOM 620 SD MET A 44 2.908 17.603 -1.461 1.00 0.00 S ATOM 621 CE MET A 44 2.249 18.700 -0.208 1.00 0.00 C ATOM 0 H MET A 44 0.165 17.785 -4.566 1.00 0.00 H new ATOM 0 HA MET A 44 0.583 20.692 -4.489 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.440 19.930 -2.878 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.781 19.747 -2.343 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.807 17.415 -2.596 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.146 17.446 -3.726 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.834 18.601 0.706 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.300 19.730 -0.562 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.211 18.438 -0.004 1.00 0.00 H new ATOM 631 N GLY A 45 2.463 18.506 -6.028 1.00 0.00 N ATOM 632 CA GLY A 45 3.559 18.375 -6.970 1.00 0.00 C ATOM 633 C GLY A 45 4.914 18.490 -6.302 1.00 0.00 C ATOM 634 O GLY A 45 5.909 18.813 -6.952 1.00 0.00 O ATOM 0 H GLY A 45 1.937 17.648 -5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.487 17.412 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.469 19.144 -7.737 1.00 0.00 H new ATOM 638 N ARG A 46 4.955 18.226 -5.000 1.00 0.00 N ATOM 639 CA ARG A 46 6.198 18.305 -4.243 1.00 0.00 C ATOM 640 C ARG A 46 6.482 16.989 -3.525 1.00 0.00 C ATOM 641 O ARG A 46 5.595 16.407 -2.900 1.00 0.00 O ATOM 642 CB ARG A 46 6.132 19.448 -3.229 1.00 0.00 C ATOM 643 CG ARG A 46 6.175 20.828 -3.863 1.00 0.00 C ATOM 644 CD ARG A 46 5.705 21.902 -2.894 1.00 0.00 C ATOM 645 NE ARG A 46 6.804 22.437 -2.094 1.00 0.00 N ATOM 646 CZ ARG A 46 7.794 23.165 -2.600 1.00 0.00 C ATOM 647 NH1 ARG A 46 7.822 23.442 -3.896 1.00 0.00 N ATOM 648 NH2 ARG A 46 8.758 23.616 -1.808 1.00 0.00 N ATOM 0 H ARG A 46 4.141 17.956 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 46 7.009 18.499 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.215 19.353 -2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.964 19.352 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.192 21.049 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.547 20.840 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.235 22.712 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.945 21.486 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 46 6.812 22.241 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.082 23.096 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.583 24.001 -4.282 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.739 23.404 -0.810 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.518 24.175 -2.197 1.00 0.00 H new ATOM 662 N GLY A 47 7.724 16.524 -3.619 1.00 0.00 N ATOM 663 CA GLY A 47 8.102 15.280 -2.975 1.00 0.00 C ATOM 664 C GLY A 47 8.850 15.504 -1.676 1.00 0.00 C ATOM 665 O GLY A 47 9.283 16.618 -1.385 1.00 0.00 O ATOM 0 H GLY A 47 8.475 16.987 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.207 14.690 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.725 14.698 -3.654 1.00 0.00 H new ATOM 669 N GLY A 48 9.001 14.441 -0.891 1.00 0.00 N ATOM 670 CA GLY A 48 9.701 14.548 0.376 1.00 0.00 C ATOM 671 C GLY A 48 8.791 14.305 1.564 1.00 0.00 C ATOM 672 O GLY A 48 8.643 15.168 2.429 1.00 0.00 O ATOM 0 H GLY A 48 8.651 13.508 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.520 13.829 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.145 15.540 0.459 1.00 0.00 H new ATOM 676 N ASP A 49 8.178 13.127 1.606 1.00 0.00 N ATOM 677 CA ASP A 49 7.277 12.772 2.696 1.00 0.00 C ATOM 678 C ASP A 49 7.653 11.420 3.294 1.00 0.00 C ATOM 679 O ASP A 49 8.128 10.529 2.590 1.00 0.00 O ATOM 680 CB ASP A 49 5.831 12.739 2.200 1.00 0.00 C ATOM 681 CG ASP A 49 4.836 13.078 3.293 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.231 13.067 4.478 1.00 0.00 O ATOM 683 OD2 ASP A 49 3.663 13.352 2.964 1.00 0.00 O ATOM 0 H ASP A 49 8.289 12.402 0.897 1.00 0.00 H new ATOM 0 HA ASP A 49 7.370 13.531 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.716 13.444 1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.608 11.748 1.804 1.00 0.00 H new ATOM 688 N ASN A 50 7.438 11.274 4.597 1.00 0.00 N ATOM 689 CA ASN A 50 7.756 10.031 5.290 1.00 0.00 C ATOM 690 C ASN A 50 6.657 8.994 5.080 1.00 0.00 C ATOM 691 O ASN A 50 5.629 9.017 5.757 1.00 0.00 O ATOM 692 CB ASN A 50 7.948 10.291 6.786 1.00 0.00 C ATOM 693 CG ASN A 50 9.329 10.828 7.107 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.305 10.079 7.144 1.00 0.00 O ATOM 695 ND2 ASN A 50 9.417 12.132 7.341 1.00 0.00 N ATOM 0 H ASN A 50 7.045 12.001 5.195 1.00 0.00 H new ATOM 0 HA ASN A 50 8.684 9.640 4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.196 11.002 7.128 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.784 9.365 7.337 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.320 12.551 7.562 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.581 12.715 7.299 1.00 0.00 H new ATOM 702 N VAL A 51 6.881 8.085 4.136 1.00 0.00 N ATOM 703 CA VAL A 51 5.912 7.038 3.837 1.00 0.00 C ATOM 704 C VAL A 51 6.254 5.746 4.570 1.00 0.00 C ATOM 705 O VAL A 51 7.410 5.327 4.602 1.00 0.00 O ATOM 706 CB VAL A 51 5.841 6.754 2.325 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.870 5.618 2.039 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.442 8.010 1.565 1.00 0.00 C ATOM 0 H VAL A 51 7.726 8.053 3.565 1.00 0.00 H new ATOM 0 HA VAL A 51 4.942 7.399 4.177 1.00 0.00 H new ATOM 0 HB VAL A 51 6.830 6.449 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.833 5.432 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.204 4.716 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.876 5.891 2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.397 7.791 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.464 8.347 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.179 8.793 1.744 1.00 0.00 H new ATOM 718 N GLN A 52 5.240 5.120 5.158 1.00 0.00 N ATOM 719 CA GLN A 52 5.434 3.874 5.892 1.00 0.00 C ATOM 720 C GLN A 52 4.554 2.766 5.324 1.00 0.00 C ATOM 721 O GLN A 52 3.346 2.939 5.162 1.00 0.00 O ATOM 722 CB GLN A 52 5.124 4.079 7.376 1.00 0.00 C ATOM 723 CG GLN A 52 4.607 2.827 8.067 1.00 0.00 C ATOM 724 CD GLN A 52 4.770 2.883 9.573 1.00 0.00 C ATOM 725 OE1 GLN A 52 5.650 3.574 10.089 1.00 0.00 O ATOM 726 NE2 GLN A 52 3.920 2.155 10.288 1.00 0.00 N ATOM 0 H GLN A 52 4.276 5.454 5.141 1.00 0.00 H new ATOM 0 HA GLN A 52 6.477 3.576 5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.027 4.418 7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.384 4.873 7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.553 2.691 7.824 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.138 1.957 7.680 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.206 1.597 9.819 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.981 2.154 11.306 1.00 0.00 H new ATOM 735 N VAL A 53 5.167 1.625 5.023 1.00 0.00 N ATOM 736 CA VAL A 53 4.439 0.487 4.474 1.00 0.00 C ATOM 737 C VAL A 53 4.748 -0.788 5.250 1.00 0.00 C ATOM 738 O VAL A 53 5.886 -1.019 5.657 1.00 0.00 O ATOM 739 CB VAL A 53 4.780 0.267 2.989 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.083 -0.977 2.460 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.400 1.490 2.168 1.00 0.00 C ATOM 0 H VAL A 53 6.166 1.464 5.150 1.00 0.00 H new ATOM 0 HA VAL A 53 3.377 0.716 4.565 1.00 0.00 H new ATOM 0 HB VAL A 53 5.856 0.118 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.336 -1.116 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.409 -1.847 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.004 -0.860 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.648 1.317 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.330 1.673 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.950 2.358 2.532 1.00 0.00 H new ATOM 751 N ALA A 54 3.727 -1.615 5.450 1.00 0.00 N ATOM 752 CA ALA A 54 3.890 -2.869 6.175 1.00 0.00 C ATOM 753 C ALA A 54 2.733 -3.821 5.890 1.00 0.00 C ATOM 754 O ALA A 54 1.572 -3.496 6.140 1.00 0.00 O ATOM 755 CB ALA A 54 4.003 -2.604 7.669 1.00 0.00 C ATOM 0 H ALA A 54 2.778 -1.439 5.120 1.00 0.00 H new ATOM 0 HA ALA A 54 4.809 -3.343 5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.124 -3.549 8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.866 -1.967 7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.099 -2.105 8.019 1.00 0.00 H new ATOM 761 N VAL A 55 3.057 -4.999 5.366 1.00 0.00 N ATOM 762 CA VAL A 55 2.045 -5.999 5.048 1.00 0.00 C ATOM 763 C VAL A 55 2.148 -7.200 5.981 1.00 0.00 C ATOM 764 O VAL A 55 3.236 -7.725 6.218 1.00 0.00 O ATOM 765 CB VAL A 55 2.171 -6.482 3.591 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.348 -7.742 3.373 1.00 0.00 C ATOM 767 CG2 VAL A 55 1.747 -5.384 2.628 1.00 0.00 C ATOM 0 H VAL A 55 4.013 -5.284 5.153 1.00 0.00 H new ATOM 0 HA VAL A 55 1.075 -5.521 5.181 1.00 0.00 H new ATOM 0 HB VAL A 55 3.216 -6.722 3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.449 -8.068 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.704 -8.529 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.300 -7.533 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.842 -5.742 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.710 -5.111 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.385 -4.511 2.768 1.00 0.00 H new ATOM 777 N VAL A 56 1.006 -7.632 6.508 1.00 0.00 N ATOM 778 CA VAL A 56 0.967 -8.774 7.415 1.00 0.00 C ATOM 779 C VAL A 56 -0.282 -9.617 7.182 1.00 0.00 C ATOM 780 O VAL A 56 -1.410 -9.128 7.234 1.00 0.00 O ATOM 781 CB VAL A 56 1.001 -8.323 8.887 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.129 -9.525 9.811 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.139 -7.340 9.116 1.00 0.00 C ATOM 0 H VAL A 56 0.097 -7.209 6.323 1.00 0.00 H new ATOM 0 HA VAL A 56 1.852 -9.375 7.207 1.00 0.00 H new ATOM 0 HB VAL A 56 0.063 -7.817 9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.151 -9.187 10.847 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.277 -10.189 9.664 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.050 -10.062 9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.148 -7.031 10.161 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.087 -7.818 8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.998 -6.465 8.481 1.00 0.00 H new ATOM 793 N PRO A 57 -0.078 -10.917 6.919 1.00 0.00 N ATOM 794 CA PRO A 57 -1.175 -11.857 6.674 1.00 0.00 C ATOM 795 C PRO A 57 -1.989 -12.139 7.932 1.00 0.00 C ATOM 796 O PRO A 57 -1.433 -12.414 8.995 1.00 0.00 O ATOM 797 CB PRO A 57 -0.458 -13.125 6.205 1.00 0.00 C ATOM 798 CG PRO A 57 0.904 -13.033 6.803 1.00 0.00 C ATOM 799 CD PRO A 57 1.241 -11.568 6.841 1.00 0.00 C ATOM 0 HA PRO A 57 -1.893 -11.466 5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.978 -14.022 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.410 -13.174 5.117 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.921 -13.463 7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.630 -13.585 6.207 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.863 -11.321 7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.790 -11.259 5.952 1.00 0.00 H new ATOM 807 N LYS A 58 -3.310 -12.068 7.805 1.00 0.00 N ATOM 808 CA LYS A 58 -4.201 -12.318 8.931 1.00 0.00 C ATOM 809 C LYS A 58 -4.031 -13.740 9.456 1.00 0.00 C ATOM 810 O LYS A 58 -4.275 -14.011 10.632 1.00 0.00 O ATOM 811 CB LYS A 58 -5.657 -12.087 8.517 1.00 0.00 C ATOM 812 CG LYS A 58 -6.576 -11.764 9.682 1.00 0.00 C ATOM 813 CD LYS A 58 -8.022 -11.633 9.231 1.00 0.00 C ATOM 814 CE LYS A 58 -8.740 -12.973 9.266 1.00 0.00 C ATOM 815 NZ LYS A 58 -9.267 -13.285 10.624 1.00 0.00 N ATOM 0 H LYS A 58 -3.787 -11.839 6.933 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.941 -11.622 9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.696 -11.270 7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.027 -12.977 8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.498 -12.547 10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.255 -10.835 10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.542 -10.923 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.054 -11.228 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.562 -12.963 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.055 -13.761 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.749 -14.206 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.480 -13.320 11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.941 -12.547 10.913 1.00 0.00 H new ATOM 829 N ASP A 59 -3.610 -14.643 8.578 1.00 0.00 N ATOM 830 CA ASP A 59 -3.404 -16.037 8.953 1.00 0.00 C ATOM 831 C ASP A 59 -2.231 -16.172 9.919 1.00 0.00 C ATOM 832 O ASP A 59 -2.378 -16.703 11.021 1.00 0.00 O ATOM 833 CB ASP A 59 -3.156 -16.891 7.709 1.00 0.00 C ATOM 834 CG ASP A 59 -3.193 -18.377 8.010 1.00 0.00 C ATOM 835 OD1 ASP A 59 -3.985 -18.785 8.884 1.00 0.00 O ATOM 836 OD2 ASP A 59 -2.428 -19.131 7.372 1.00 0.00 O ATOM 0 H ASP A 59 -3.404 -14.435 7.601 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.306 -16.390 9.453 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.908 -16.657 6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.186 -16.634 7.283 1.00 0.00 H new ATOM 841 N LYS A 60 -1.067 -15.689 9.500 1.00 0.00 N ATOM 842 CA LYS A 60 0.132 -15.755 10.327 1.00 0.00 C ATOM 843 C LYS A 60 0.297 -14.480 11.148 1.00 0.00 C ATOM 844 O LYS A 60 -0.334 -13.461 10.867 1.00 0.00 O ATOM 845 CB LYS A 60 1.369 -15.975 9.452 1.00 0.00 C ATOM 846 CG LYS A 60 1.375 -17.313 8.733 1.00 0.00 C ATOM 847 CD LYS A 60 1.941 -18.415 9.612 1.00 0.00 C ATOM 848 CE LYS A 60 2.063 -19.727 8.851 1.00 0.00 C ATOM 849 NZ LYS A 60 3.103 -19.657 7.788 1.00 0.00 N ATOM 0 H LYS A 60 -0.928 -15.247 8.591 1.00 0.00 H new ATOM 0 HA LYS A 60 0.025 -16.596 11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.429 -15.175 8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.261 -15.902 10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.359 -17.571 8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.966 -17.234 7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.921 -18.117 9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.298 -18.555 10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.309 -20.529 9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.102 -19.977 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.666 -19.838 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.536 -18.711 7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.835 -20.373 7.971 1.00 0.00 H new ATOM 863 N LYS A 61 1.151 -14.543 12.164 1.00 0.00 N ATOM 864 CA LYS A 61 1.402 -13.393 13.025 1.00 0.00 C ATOM 865 C LYS A 61 2.872 -12.987 12.976 1.00 0.00 C ATOM 866 O LYS A 61 3.236 -11.886 13.390 1.00 0.00 O ATOM 867 CB LYS A 61 0.998 -13.711 14.466 1.00 0.00 C ATOM 868 CG LYS A 61 -0.456 -13.396 14.774 1.00 0.00 C ATOM 869 CD LYS A 61 -0.668 -11.908 14.997 1.00 0.00 C ATOM 870 CE LYS A 61 -2.147 -11.565 15.098 1.00 0.00 C ATOM 871 NZ LYS A 61 -2.738 -11.260 13.766 1.00 0.00 N ATOM 0 H LYS A 61 1.681 -15.379 12.411 1.00 0.00 H new ATOM 0 HA LYS A 61 0.801 -12.560 12.661 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.181 -14.768 14.661 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.635 -13.146 15.146 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.085 -13.735 13.951 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.769 -13.946 15.662 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.159 -11.600 15.910 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.219 -11.348 14.177 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.683 -12.399 15.551 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.277 -10.707 15.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.746 -11.031 13.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.244 -10.448 13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.638 -12.087 13.144 1.00 0.00 H new ATOM 885 N ASP A 62 3.711 -13.882 12.467 1.00 0.00 N ATOM 886 CA ASP A 62 5.141 -13.616 12.361 1.00 0.00 C ATOM 887 C ASP A 62 5.567 -13.509 10.900 1.00 0.00 C ATOM 888 O ASP A 62 6.030 -12.459 10.454 1.00 0.00 O ATOM 889 CB ASP A 62 5.940 -14.718 13.059 1.00 0.00 C ATOM 890 CG ASP A 62 7.382 -14.772 12.593 1.00 0.00 C ATOM 891 OD1 ASP A 62 7.927 -13.709 12.231 1.00 0.00 O ATOM 892 OD2 ASP A 62 7.964 -15.876 12.591 1.00 0.00 O ATOM 0 H ASP A 62 3.426 -14.798 12.121 1.00 0.00 H new ATOM 0 HA ASP A 62 5.346 -12.664 12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.915 -14.554 14.136 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.465 -15.681 12.872 1.00 0.00 H new ATOM 897 N SER A 63 5.410 -14.602 10.161 1.00 0.00 N ATOM 898 CA SER A 63 5.783 -14.632 8.752 1.00 0.00 C ATOM 899 C SER A 63 5.509 -13.286 8.088 1.00 0.00 C ATOM 900 O SER A 63 4.386 -12.980 7.687 1.00 0.00 O ATOM 901 CB SER A 63 5.016 -15.738 8.023 1.00 0.00 C ATOM 902 OG SER A 63 5.717 -16.968 8.083 1.00 0.00 O ATOM 0 H SER A 63 5.027 -15.479 10.515 1.00 0.00 H new ATOM 0 HA SER A 63 6.852 -14.838 8.689 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.029 -15.856 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.863 -15.453 6.982 1.00 0.00 H new ATOM 0 HG SER A 63 5.214 -17.655 7.598 1.00 0.00 H new ATOM 908 N PRO A 64 6.560 -12.461 7.970 1.00 0.00 N ATOM 909 CA PRO A 64 6.459 -11.134 7.356 1.00 0.00 C ATOM 910 C PRO A 64 6.224 -11.208 5.851 1.00 0.00 C ATOM 911 O PRO A 64 6.142 -12.295 5.278 1.00 0.00 O ATOM 912 CB PRO A 64 7.820 -10.501 7.653 1.00 0.00 C ATOM 913 CG PRO A 64 8.747 -11.656 7.819 1.00 0.00 C ATOM 914 CD PRO A 64 7.927 -12.760 8.427 1.00 0.00 C ATOM 0 HA PRO A 64 5.615 -10.567 7.748 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.140 -9.850 6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.784 -9.890 8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.164 -11.963 6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.587 -11.393 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.259 -13.741 8.087 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.996 -12.760 9.515 1.00 0.00 H new ATOM 922 N VAL A 65 6.116 -10.046 5.215 1.00 0.00 N ATOM 923 CA VAL A 65 5.891 -9.979 3.776 1.00 0.00 C ATOM 924 C VAL A 65 6.897 -9.050 3.105 1.00 0.00 C ATOM 925 O VAL A 65 6.991 -7.871 3.447 1.00 0.00 O ATOM 926 CB VAL A 65 4.465 -9.495 3.452 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.268 -9.384 1.948 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.434 -10.429 4.066 1.00 0.00 C ATOM 0 H VAL A 65 6.181 -9.137 5.674 1.00 0.00 H new ATOM 0 HA VAL A 65 6.020 -10.990 3.388 1.00 0.00 H new ATOM 0 HB VAL A 65 4.328 -8.505 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.255 -9.041 1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.985 -8.672 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.423 -10.360 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.432 -10.072 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.567 -11.433 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.563 -10.452 5.148 1.00 0.00 H new ATOM 938 N ARG A 66 7.645 -9.589 2.149 1.00 0.00 N ATOM 939 CA ARG A 66 8.645 -8.808 1.430 1.00 0.00 C ATOM 940 C ARG A 66 7.994 -7.646 0.684 1.00 0.00 C ATOM 941 O ARG A 66 7.195 -7.851 -0.231 1.00 0.00 O ATOM 942 CB ARG A 66 9.407 -9.697 0.445 1.00 0.00 C ATOM 943 CG ARG A 66 10.450 -10.582 1.106 1.00 0.00 C ATOM 944 CD ARG A 66 11.530 -11.001 0.121 1.00 0.00 C ATOM 945 NE ARG A 66 12.700 -11.557 0.795 1.00 0.00 N ATOM 946 CZ ARG A 66 13.713 -12.132 0.155 1.00 0.00 C ATOM 947 NH1 ARG A 66 13.699 -12.225 -1.167 1.00 0.00 N ATOM 948 NH2 ARG A 66 14.743 -12.615 0.839 1.00 0.00 N ATOM 0 H ARG A 66 7.578 -10.563 1.854 1.00 0.00 H new ATOM 0 HA ARG A 66 9.346 -8.402 2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.695 -10.326 -0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.896 -9.066 -0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.905 -10.049 1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.968 -11.469 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.124 -11.740 -0.569 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.831 -10.140 -0.475 1.00 0.00 H new ATOM 0 HE ARG A 66 12.742 -11.501 1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.909 -11.855 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.478 -12.667 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.757 -12.545 1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.520 -13.056 0.347 1.00 0.00 H new ATOM 962 N THR A 67 8.340 -6.426 1.082 1.00 0.00 N ATOM 963 CA THR A 67 7.789 -5.232 0.453 1.00 0.00 C ATOM 964 C THR A 67 8.895 -4.348 -0.112 1.00 0.00 C ATOM 965 O THR A 67 10.064 -4.501 0.239 1.00 0.00 O ATOM 966 CB THR A 67 6.949 -4.410 1.449 1.00 0.00 C ATOM 967 OG1 THR A 67 7.755 -4.024 2.568 1.00 0.00 O ATOM 968 CG2 THR A 67 5.749 -5.209 1.933 1.00 0.00 C ATOM 0 H THR A 67 8.999 -6.239 1.837 1.00 0.00 H new ATOM 0 HA THR A 67 7.147 -5.570 -0.360 1.00 0.00 H new ATOM 0 HB THR A 67 6.589 -3.518 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.214 -3.500 3.196 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.171 -4.608 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.122 -5.476 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.092 -6.117 2.429 1.00 0.00 H new ATOM 976 N MET A 68 8.517 -3.423 -0.988 1.00 0.00 N ATOM 977 CA MET A 68 9.478 -2.513 -1.601 1.00 0.00 C ATOM 978 C MET A 68 8.926 -1.092 -1.648 1.00 0.00 C ATOM 979 O MET A 68 7.723 -0.887 -1.807 1.00 0.00 O ATOM 980 CB MET A 68 9.829 -2.983 -3.014 1.00 0.00 C ATOM 981 CG MET A 68 11.187 -2.500 -3.495 1.00 0.00 C ATOM 982 SD MET A 68 11.118 -0.856 -4.232 1.00 0.00 S ATOM 983 CE MET A 68 10.892 -1.269 -5.960 1.00 0.00 C ATOM 0 H MET A 68 7.553 -3.284 -1.289 1.00 0.00 H new ATOM 0 HA MET A 68 10.381 -2.514 -0.991 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.810 -4.072 -3.041 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.062 -2.633 -3.705 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.883 -2.489 -2.656 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.581 -3.206 -4.226 1.00 0.00 H new ATOM 0 HE1 MET A 68 10.831 -0.353 -6.548 1.00 0.00 H new ATOM 0 HE2 MET A 68 11.736 -1.866 -6.305 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.971 -1.839 -6.080 1.00 0.00 H new ATOM 993 N VAL A 69 9.814 -0.112 -1.508 1.00 0.00 N ATOM 994 CA VAL A 69 9.416 1.290 -1.535 1.00 0.00 C ATOM 995 C VAL A 69 10.415 2.129 -2.324 1.00 0.00 C ATOM 996 O VAL A 69 11.530 2.377 -1.867 1.00 0.00 O ATOM 997 CB VAL A 69 9.290 1.865 -0.112 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.641 1.862 0.587 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.706 3.270 -0.156 1.00 0.00 C ATOM 0 H VAL A 69 10.814 -0.264 -1.375 1.00 0.00 H new ATOM 0 HA VAL A 69 8.443 1.334 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 69 8.611 1.231 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.532 2.272 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.015 0.840 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.345 2.472 0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.624 3.662 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.358 3.917 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.718 3.239 -0.614 1.00 0.00 H new ATOM 1009 N GLN A 70 10.006 2.565 -3.512 1.00 0.00 N ATOM 1010 CA GLN A 70 10.866 3.377 -4.365 1.00 0.00 C ATOM 1011 C GLN A 70 10.539 4.859 -4.214 1.00 0.00 C ATOM 1012 O GLN A 70 9.460 5.309 -4.599 1.00 0.00 O ATOM 1013 CB GLN A 70 10.714 2.955 -5.827 1.00 0.00 C ATOM 1014 CG GLN A 70 11.891 3.356 -6.702 1.00 0.00 C ATOM 1015 CD GLN A 70 11.882 2.659 -8.048 1.00 0.00 C ATOM 1016 OE1 GLN A 70 12.382 1.542 -8.185 1.00 0.00 O ATOM 1017 NE2 GLN A 70 11.311 3.316 -9.051 1.00 0.00 N ATOM 0 H GLN A 70 9.085 2.370 -3.905 1.00 0.00 H new ATOM 0 HA GLN A 70 11.899 3.218 -4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.590 1.873 -5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.804 3.398 -6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.873 4.435 -6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.821 3.123 -6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.909 4.240 -8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.274 2.897 -9.980 1.00 0.00 H new ATOM 1026 N ASP A 71 11.478 5.612 -3.651 1.00 0.00 N ATOM 1027 CA ASP A 71 11.290 7.044 -3.450 1.00 0.00 C ATOM 1028 C ASP A 71 11.495 7.808 -4.755 1.00 0.00 C ATOM 1029 O ASP A 71 12.563 7.743 -5.362 1.00 0.00 O ATOM 1030 CB ASP A 71 12.257 7.562 -2.385 1.00 0.00 C ATOM 1031 CG ASP A 71 13.706 7.275 -2.729 1.00 0.00 C ATOM 1032 OD1 ASP A 71 14.021 6.109 -3.044 1.00 0.00 O ATOM 1033 OD2 ASP A 71 14.525 8.217 -2.682 1.00 0.00 O ATOM 0 H ASP A 71 12.376 5.255 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 71 10.267 7.207 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.121 8.637 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.017 7.103 -1.426 1.00 0.00 H new ATOM 1038 N ASN A 72 10.463 8.529 -5.181 1.00 0.00 N ATOM 1039 CA ASN A 72 10.529 9.304 -6.415 1.00 0.00 C ATOM 1040 C ASN A 72 10.680 10.792 -6.115 1.00 0.00 C ATOM 1041 O ASN A 72 11.392 11.509 -6.818 1.00 0.00 O ATOM 1042 CB ASN A 72 9.275 9.066 -7.258 1.00 0.00 C ATOM 1043 CG ASN A 72 9.315 7.741 -7.994 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.146 7.535 -8.879 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.416 6.835 -7.630 1.00 0.00 N ATOM 0 H ASN A 72 9.571 8.593 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 72 11.403 8.975 -6.976 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.397 9.094 -6.613 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.167 9.876 -7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.395 5.924 -8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.746 7.049 -6.891 1.00 0.00 H new ATOM 1052 N LYS A 73 10.006 11.250 -5.066 1.00 0.00 N ATOM 1053 CA LYS A 73 10.066 12.652 -4.670 1.00 0.00 C ATOM 1054 C LYS A 73 9.492 13.550 -5.761 1.00 0.00 C ATOM 1055 O LYS A 73 9.977 14.660 -5.984 1.00 0.00 O ATOM 1056 CB LYS A 73 11.510 13.057 -4.368 1.00 0.00 C ATOM 1057 CG LYS A 73 12.184 12.177 -3.330 1.00 0.00 C ATOM 1058 CD LYS A 73 11.534 12.326 -1.965 1.00 0.00 C ATOM 1059 CE LYS A 73 12.505 11.985 -0.845 1.00 0.00 C ATOM 1060 NZ LYS A 73 13.576 13.011 -0.708 1.00 0.00 N ATOM 0 H LYS A 73 9.411 10.670 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 73 9.465 12.775 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.088 13.024 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.524 14.090 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.133 11.135 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.240 12.438 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.178 13.349 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.662 11.675 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.960 11.901 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.957 11.012 -1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.991 12.954 0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.315 12.838 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.170 13.958 -0.853 1.00 0.00 H new ATOM 1074 N ASP A 74 8.457 13.064 -6.438 1.00 0.00 N ATOM 1075 CA ASP A 74 7.816 13.824 -7.505 1.00 0.00 C ATOM 1076 C ASP A 74 6.321 13.974 -7.242 1.00 0.00 C ATOM 1077 O ASP A 74 5.536 14.184 -8.166 1.00 0.00 O ATOM 1078 CB ASP A 74 8.044 13.142 -8.854 1.00 0.00 C ATOM 1079 CG ASP A 74 9.516 12.990 -9.186 1.00 0.00 C ATOM 1080 OD1 ASP A 74 10.283 13.941 -8.926 1.00 0.00 O ATOM 1081 OD2 ASP A 74 9.901 11.922 -9.705 1.00 0.00 O ATOM 0 H ASP A 74 8.044 12.147 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 74 8.264 14.818 -7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.573 12.159 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.556 13.721 -9.638 1.00 0.00 H new ATOM 1086 N GLY A 75 5.934 13.863 -5.975 1.00 0.00 N ATOM 1087 CA GLY A 75 4.534 13.988 -5.614 1.00 0.00 C ATOM 1088 C GLY A 75 3.867 12.643 -5.404 1.00 0.00 C ATOM 1089 O GLY A 75 2.831 12.550 -4.745 1.00 0.00 O ATOM 0 H GLY A 75 6.565 13.689 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.449 14.579 -4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.007 14.533 -6.397 1.00 0.00 H new ATOM 1093 N THR A 76 4.461 11.595 -5.969 1.00 0.00 N ATOM 1094 CA THR A 76 3.917 10.249 -5.843 1.00 0.00 C ATOM 1095 C THR A 76 5.017 9.237 -5.545 1.00 0.00 C ATOM 1096 O THR A 76 6.197 9.502 -5.776 1.00 0.00 O ATOM 1097 CB THR A 76 3.175 9.821 -7.123 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.117 9.516 -8.157 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.233 10.919 -7.595 1.00 0.00 C ATOM 0 H THR A 76 5.319 11.654 -6.518 1.00 0.00 H new ATOM 0 HA THR A 76 3.211 10.270 -5.012 1.00 0.00 H new ATOM 0 HB THR A 76 2.586 8.932 -6.895 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.637 9.243 -8.967 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.720 10.594 -8.500 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.499 11.128 -6.817 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.805 11.823 -7.806 1.00 0.00 H new ATOM 1107 N TYR A 77 4.624 8.077 -5.031 1.00 0.00 N ATOM 1108 CA TYR A 77 5.578 7.025 -4.700 1.00 0.00 C ATOM 1109 C TYR A 77 5.273 5.748 -5.477 1.00 0.00 C ATOM 1110 O TYR A 77 4.222 5.628 -6.107 1.00 0.00 O ATOM 1111 CB TYR A 77 5.552 6.739 -3.197 1.00 0.00 C ATOM 1112 CG TYR A 77 6.241 7.799 -2.367 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.671 9.054 -2.195 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.463 7.545 -1.757 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.297 10.025 -1.438 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.096 8.510 -0.997 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.509 9.748 -0.841 1.00 0.00 C ATOM 1118 OH TYR A 77 8.136 10.713 -0.086 1.00 0.00 O ATOM 0 H TYR A 77 3.651 7.841 -4.834 1.00 0.00 H new ATOM 0 HA TYR A 77 6.573 7.370 -4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.516 6.650 -2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.029 5.777 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.722 9.274 -2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.926 6.577 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.840 10.996 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.045 8.296 -0.528 1.00 0.00 H new ATOM 0 HH TYR A 77 8.308 10.364 0.813 1.00 0.00 H new ATOM 1128 N TYR A 78 6.200 4.798 -5.427 1.00 0.00 N ATOM 1129 CA TYR A 78 6.032 3.530 -6.127 1.00 0.00 C ATOM 1130 C TYR A 78 6.306 2.353 -5.196 1.00 0.00 C ATOM 1131 O TYR A 78 7.455 1.953 -5.004 1.00 0.00 O ATOM 1132 CB TYR A 78 6.966 3.465 -7.337 1.00 0.00 C ATOM 1133 CG TYR A 78 6.428 2.623 -8.472 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.127 2.788 -8.930 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.221 1.661 -9.086 1.00 0.00 C ATOM 1136 CE1 TYR A 78 4.630 2.021 -9.966 1.00 0.00 C ATOM 1137 CE2 TYR A 78 6.733 0.890 -10.123 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.438 1.073 -10.560 1.00 0.00 C ATOM 1139 OH TYR A 78 4.948 0.306 -11.592 1.00 0.00 O ATOM 0 H TYR A 78 7.075 4.882 -4.909 1.00 0.00 H new ATOM 0 HA TYR A 78 4.999 3.467 -6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.147 4.477 -7.700 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.928 3.062 -7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.492 3.530 -8.468 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.236 1.514 -8.747 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.616 2.162 -10.309 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.363 0.147 -10.590 1.00 0.00 H new ATOM 0 HH TYR A 78 5.644 -0.312 -11.899 1.00 0.00 H new ATOM 1149 N ILE A 79 5.242 1.803 -4.620 1.00 0.00 N ATOM 1150 CA ILE A 79 5.367 0.671 -3.711 1.00 0.00 C ATOM 1151 C ILE A 79 5.199 -0.651 -4.452 1.00 0.00 C ATOM 1152 O ILE A 79 4.516 -0.720 -5.473 1.00 0.00 O ATOM 1153 CB ILE A 79 4.329 0.744 -2.575 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.483 2.053 -1.797 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.475 -0.451 -1.646 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.191 2.550 -1.188 1.00 0.00 C ATOM 0 H ILE A 79 4.285 2.123 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 79 6.368 0.720 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 79 3.331 0.719 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.218 1.911 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.879 2.819 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.735 -0.385 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.320 -1.371 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.475 -0.455 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.376 3.481 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.460 2.725 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.805 1.803 -0.495 1.00 0.00 H new ATOM 1168 N SER A 80 5.827 -1.700 -3.930 1.00 0.00 N ATOM 1169 CA SER A 80 5.750 -3.021 -4.543 1.00 0.00 C ATOM 1170 C SER A 80 5.810 -4.116 -3.483 1.00 0.00 C ATOM 1171 O SER A 80 6.693 -4.118 -2.625 1.00 0.00 O ATOM 1172 CB SER A 80 6.887 -3.206 -5.549 1.00 0.00 C ATOM 1173 OG SER A 80 6.514 -2.738 -6.834 1.00 0.00 O ATOM 0 H SER A 80 6.395 -1.661 -3.084 1.00 0.00 H new ATOM 0 HA SER A 80 4.796 -3.097 -5.065 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.771 -2.669 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.157 -4.260 -5.607 1.00 0.00 H new ATOM 0 HG SER A 80 5.898 -1.982 -6.741 1.00 0.00 H new ATOM 1179 N TYR A 81 4.864 -5.047 -3.549 1.00 0.00 N ATOM 1180 CA TYR A 81 4.807 -6.147 -2.594 1.00 0.00 C ATOM 1181 C TYR A 81 4.388 -7.443 -3.281 1.00 0.00 C ATOM 1182 O TYR A 81 3.591 -7.433 -4.220 1.00 0.00 O ATOM 1183 CB TYR A 81 3.831 -5.818 -1.463 1.00 0.00 C ATOM 1184 CG TYR A 81 2.379 -5.998 -1.844 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.793 -7.258 -1.848 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.594 -4.909 -2.200 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.467 -7.427 -2.196 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.266 -5.069 -2.548 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.292 -6.330 -2.545 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.614 -6.494 -2.892 1.00 0.00 O ATOM 0 H TYR A 81 4.127 -5.061 -4.254 1.00 0.00 H new ATOM 0 HA TYR A 81 5.804 -6.284 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.054 -6.453 -0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.990 -4.787 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.384 -8.119 -1.574 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.029 -3.920 -2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.027 -8.413 -2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.331 -4.211 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.006 -5.622 -3.109 1.00 0.00 H new ATOM 1200 N THR A 82 4.930 -8.560 -2.806 1.00 0.00 N ATOM 1201 CA THR A 82 4.614 -9.865 -3.373 1.00 0.00 C ATOM 1202 C THR A 82 4.392 -10.901 -2.277 1.00 0.00 C ATOM 1203 O THR A 82 5.309 -11.270 -1.543 1.00 0.00 O ATOM 1204 CB THR A 82 5.734 -10.356 -4.309 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.065 -9.334 -5.256 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.309 -11.618 -5.046 1.00 0.00 C ATOM 0 H THR A 82 5.591 -8.587 -2.029 1.00 0.00 H new ATOM 0 HA THR A 82 3.696 -9.746 -3.948 1.00 0.00 H new ATOM 0 HB THR A 82 6.610 -10.586 -3.702 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.779 -9.654 -5.847 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.116 -11.946 -5.701 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.086 -12.403 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.420 -11.410 -5.642 1.00 0.00 H new ATOM 1214 N PRO A 83 3.147 -11.385 -2.163 1.00 0.00 N ATOM 1215 CA PRO A 83 2.776 -12.387 -1.159 1.00 0.00 C ATOM 1216 C PRO A 83 3.384 -13.754 -1.453 1.00 0.00 C ATOM 1217 O PRO A 83 3.644 -14.094 -2.607 1.00 0.00 O ATOM 1218 CB PRO A 83 1.250 -12.447 -1.265 1.00 0.00 C ATOM 1219 CG PRO A 83 0.949 -12.003 -2.655 1.00 0.00 C ATOM 1220 CD PRO A 83 2.004 -10.990 -3.004 1.00 0.00 C ATOM 0 HA PRO A 83 3.138 -12.122 -0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.880 -13.456 -1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.776 -11.796 -0.530 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.972 -12.845 -3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.048 -11.566 -2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.256 -11.021 -4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.675 -9.975 -2.784 1.00 0.00 H new ATOM 1228 N LYS A 84 3.609 -14.535 -0.402 1.00 0.00 N ATOM 1229 CA LYS A 84 4.185 -15.866 -0.546 1.00 0.00 C ATOM 1230 C LYS A 84 3.093 -16.930 -0.587 1.00 0.00 C ATOM 1231 O LYS A 84 3.155 -17.865 -1.385 1.00 0.00 O ATOM 1232 CB LYS A 84 5.150 -16.154 0.607 1.00 0.00 C ATOM 1233 CG LYS A 84 6.548 -15.606 0.381 1.00 0.00 C ATOM 1234 CD LYS A 84 7.342 -16.480 -0.575 1.00 0.00 C ATOM 1235 CE LYS A 84 8.840 -16.282 -0.398 1.00 0.00 C ATOM 1236 NZ LYS A 84 9.370 -17.061 0.756 1.00 0.00 N ATOM 0 H LYS A 84 3.401 -14.268 0.560 1.00 0.00 H new ATOM 0 HA LYS A 84 4.734 -15.897 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.745 -15.726 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.211 -17.232 0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.483 -14.594 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.072 -15.539 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.090 -17.527 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.062 -16.246 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.357 -16.585 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.051 -15.223 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.394 -16.899 0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.895 -16.754 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.191 -18.074 0.602 1.00 0.00 H new ATOM 1250 N GLU A 85 2.094 -16.780 0.277 1.00 0.00 N ATOM 1251 CA GLU A 85 0.988 -17.729 0.337 1.00 0.00 C ATOM 1252 C GLU A 85 -0.352 -17.013 0.196 1.00 0.00 C ATOM 1253 O GLU A 85 -0.481 -15.822 0.482 1.00 0.00 O ATOM 1254 CB GLU A 85 1.026 -18.507 1.654 1.00 0.00 C ATOM 1255 CG GLU A 85 1.874 -19.766 1.593 1.00 0.00 C ATOM 1256 CD GLU A 85 1.516 -20.764 2.678 1.00 0.00 C ATOM 1257 OE1 GLU A 85 0.323 -20.846 3.037 1.00 0.00 O ATOM 1258 OE2 GLU A 85 2.429 -21.461 3.167 1.00 0.00 O ATOM 0 H GLU A 85 2.028 -16.011 0.944 1.00 0.00 H new ATOM 0 HA GLU A 85 1.097 -18.427 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.412 -17.857 2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.008 -18.778 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.750 -20.236 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.926 -19.496 1.686 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.373 -17.754 -0.258 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.722 -17.211 -0.449 1.00 0.00 C ATOM 1267 C PRO A 86 -3.411 -16.894 0.874 1.00 0.00 C ATOM 1268 O PRO A 86 -2.991 -17.361 1.932 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.458 -18.338 -1.178 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.730 -19.579 -0.790 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.291 -19.179 -0.619 1.00 0.00 C ATOM 0 HA PRO A 86 -2.709 -16.268 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.506 -18.384 -0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.440 -18.189 -2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.132 -19.994 0.134 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.833 -20.347 -1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.802 -19.763 0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.721 -19.329 -1.536 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.473 -16.097 0.806 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.204 -15.731 2.006 1.00 0.00 C ATOM 1281 C GLY A 87 -5.412 -14.234 2.124 1.00 0.00 C ATOM 1282 O GLY A 87 -5.040 -13.475 1.229 1.00 0.00 O ATOM 0 H GLY A 87 -4.840 -15.698 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.173 -16.230 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.662 -16.090 2.881 1.00 0.00 H new ATOM 1286 N VAL A 88 -6.010 -13.807 3.232 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.268 -12.391 3.464 1.00 0.00 C ATOM 1288 C VAL A 88 -5.069 -11.714 4.117 1.00 0.00 C ATOM 1289 O VAL A 88 -4.431 -12.279 5.006 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.508 -12.185 4.355 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.352 -12.935 5.669 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.745 -10.703 4.602 1.00 0.00 C ATOM 0 H VAL A 88 -6.325 -14.422 3.983 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.451 -11.939 2.489 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.378 -12.587 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.237 -12.778 6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.234 -14.000 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.473 -12.566 6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.625 -10.575 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.876 -10.274 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.905 -10.196 3.650 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.766 -10.500 3.671 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.641 -9.745 4.210 1.00 0.00 C ATOM 1304 C TYR A 89 -4.076 -8.345 4.631 1.00 0.00 C ATOM 1305 O TYR A 89 -5.201 -7.922 4.359 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.518 -9.654 3.176 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.743 -10.941 3.008 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.375 -12.107 2.596 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.378 -10.990 3.262 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.670 -13.285 2.442 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.335 -12.163 3.110 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.315 -13.309 2.700 1.00 0.00 C ATOM 1313 OH TYR A 89 0.390 -14.480 2.547 1.00 0.00 O ATOM 0 H TYR A 89 -5.284 -10.017 2.937 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.272 -10.271 5.091 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.944 -9.368 2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.830 -8.861 3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.436 -12.093 2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.134 -10.095 3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.177 -14.183 2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.396 -12.183 3.311 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.159 -15.131 2.062 1.00 0.00 H new ATOM 1323 N THR A 90 -3.176 -7.627 5.296 1.00 0.00 N ATOM 1324 CA THR A 90 -3.465 -6.274 5.755 1.00 0.00 C ATOM 1325 C THR A 90 -2.346 -5.313 5.371 1.00 0.00 C ATOM 1326 O THR A 90 -1.223 -5.423 5.864 1.00 0.00 O ATOM 1327 CB THR A 90 -3.664 -6.230 7.281 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.440 -7.355 7.707 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.356 -4.941 7.699 1.00 0.00 C ATOM 0 H THR A 90 -2.241 -7.960 5.529 1.00 0.00 H new ATOM 0 HA THR A 90 -4.389 -5.964 5.267 1.00 0.00 H new ATOM 0 HB THR A 90 -2.683 -6.267 7.755 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.560 -7.320 8.679 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.486 -4.932 8.781 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.747 -4.088 7.400 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.331 -4.878 7.216 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.659 -4.369 4.489 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.680 -3.386 4.041 1.00 0.00 C ATOM 1339 C VAL A 91 -1.739 -2.123 4.892 1.00 0.00 C ATOM 1340 O VAL A 91 -2.731 -1.395 4.871 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.900 -3.008 2.564 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.831 -2.031 2.098 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.913 -4.254 1.691 1.00 0.00 C ATOM 0 H VAL A 91 -3.583 -4.264 4.071 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.698 -3.846 4.148 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.870 -2.519 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.003 -1.775 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.875 -1.127 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.152 -2.490 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.070 -3.968 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.960 -4.774 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.719 -4.914 2.011 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.671 -1.870 5.640 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.601 -0.693 6.499 1.00 0.00 C ATOM 1355 C TRP A 92 0.172 0.432 5.820 1.00 0.00 C ATOM 1356 O TRP A 92 1.353 0.285 5.505 1.00 0.00 O ATOM 1357 CB TRP A 92 0.058 -1.049 7.833 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.801 -1.910 8.709 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.502 -3.020 8.332 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -1.049 -1.731 10.107 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -2.172 -3.541 9.413 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.910 -2.770 10.514 1.00 0.00 C ATOM 1363 CE3 TRP A 92 -0.627 -0.796 11.056 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -2.355 -2.896 11.827 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 -1.070 -0.923 12.359 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -1.927 -1.967 12.735 1.00 0.00 C ATOM 0 H TRP A 92 0.158 -2.464 5.669 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.618 -0.348 6.685 1.00 0.00 H new ATOM 0 HB2 TRP A 92 0.999 -1.565 7.639 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.302 -0.130 8.366 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.526 -3.428 7.332 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.768 -4.368 9.398 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.033 0.011 10.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.015 -3.699 12.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.750 -0.206 13.100 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.255 -2.039 13.761 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.502 1.556 5.596 1.00 0.00 N ATOM 1378 CA VAL A 93 0.123 2.707 4.955 1.00 0.00 C ATOM 1379 C VAL A 93 -0.174 3.991 5.721 1.00 0.00 C ATOM 1380 O VAL A 93 -1.328 4.405 5.836 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.357 2.868 3.500 1.00 0.00 C ATOM 1382 CG1 VAL A 93 0.164 4.168 2.907 1.00 0.00 C ATOM 1383 CG2 VAL A 93 0.079 1.677 2.661 1.00 0.00 C ATOM 0 H VAL A 93 -1.480 1.694 5.849 1.00 0.00 H new ATOM 0 HA VAL A 93 1.198 2.526 4.958 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.446 2.906 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.185 4.265 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.203 5.009 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.254 4.163 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.268 1.807 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.167 1.605 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.348 0.764 3.076 1.00 0.00 H new ATOM 1393 N CYS A 94 0.875 4.617 6.244 1.00 0.00 N ATOM 1394 CA CYS A 94 0.727 5.855 7.000 1.00 0.00 C ATOM 1395 C CYS A 94 1.818 6.853 6.628 1.00 0.00 C ATOM 1396 O CYS A 94 2.916 6.466 6.226 1.00 0.00 O ATOM 1397 CB CYS A 94 0.773 5.568 8.502 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.199 4.130 9.008 1.00 0.00 S ATOM 0 H CYS A 94 1.836 4.287 6.158 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.240 6.291 6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.810 5.415 8.800 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.412 6.445 9.040 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.096 3.967 10.294 1.00 0.00 H new ATOM 1404 N ILE A 95 1.508 8.138 6.762 1.00 0.00 N ATOM 1405 CA ILE A 95 2.462 9.192 6.438 1.00 0.00 C ATOM 1406 C ILE A 95 2.703 10.103 7.637 1.00 0.00 C ATOM 1407 O ILE A 95 1.762 10.642 8.220 1.00 0.00 O ATOM 1408 CB ILE A 95 1.979 10.044 5.250 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.025 9.227 3.957 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.827 11.300 5.119 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.313 9.889 2.798 1.00 0.00 C ATOM 0 H ILE A 95 0.604 8.475 7.093 1.00 0.00 H new ATOM 0 HA ILE A 95 3.395 8.699 6.165 1.00 0.00 H new ATOM 0 HB ILE A 95 0.947 10.344 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.066 9.054 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.577 8.250 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.473 11.892 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.749 11.889 6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.868 11.021 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.386 9.254 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.264 10.037 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.776 10.854 2.590 1.00 0.00 H new ATOM 1423 N LYS A 96 3.970 10.271 8.000 1.00 0.00 N ATOM 1424 CA LYS A 96 4.337 11.120 9.128 1.00 0.00 C ATOM 1425 C LYS A 96 3.583 10.706 10.388 1.00 0.00 C ATOM 1426 O LYS A 96 3.049 11.549 11.108 1.00 0.00 O ATOM 1427 CB LYS A 96 4.045 12.587 8.805 1.00 0.00 C ATOM 1428 CG LYS A 96 4.824 13.113 7.613 1.00 0.00 C ATOM 1429 CD LYS A 96 4.136 14.313 6.982 1.00 0.00 C ATOM 1430 CE LYS A 96 3.952 15.441 7.986 1.00 0.00 C ATOM 1431 NZ LYS A 96 2.810 16.325 7.624 1.00 0.00 N ATOM 0 H LYS A 96 4.760 9.830 7.529 1.00 0.00 H new ATOM 0 HA LYS A 96 5.405 11.000 9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.979 12.702 8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.278 13.196 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.829 13.393 7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.932 12.322 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.725 14.669 6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.165 14.012 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.786 15.021 8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.866 16.032 8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.965 17.273 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.737 16.392 6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.929 15.928 8.008 1.00 0.00 H new ATOM 1445 N GLU A 97 3.544 9.403 10.648 1.00 0.00 N ATOM 1446 CA GLU A 97 2.855 8.879 11.822 1.00 0.00 C ATOM 1447 C GLU A 97 1.364 9.197 11.765 1.00 0.00 C ATOM 1448 O GLU A 97 0.757 9.555 12.774 1.00 0.00 O ATOM 1449 CB GLU A 97 3.464 9.461 13.100 1.00 0.00 C ATOM 1450 CG GLU A 97 4.908 9.049 13.328 1.00 0.00 C ATOM 1451 CD GLU A 97 5.083 7.544 13.392 1.00 0.00 C ATOM 1452 OE1 GLU A 97 4.880 6.968 14.481 1.00 0.00 O ATOM 1453 OE2 GLU A 97 5.423 6.943 12.351 1.00 0.00 O ATOM 0 H GLU A 97 3.981 8.691 10.062 1.00 0.00 H new ATOM 0 HA GLU A 97 2.977 7.796 11.830 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.408 10.549 13.057 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.866 9.145 13.954 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.527 9.449 12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.266 9.492 14.257 1.00 0.00 H new ATOM 1460 N GLN A 98 0.781 9.063 10.578 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.638 9.337 10.389 1.00 0.00 C ATOM 1462 C GLN A 98 -1.248 8.377 9.373 1.00 0.00 C ATOM 1463 O GLN A 98 -0.733 8.219 8.265 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.844 10.782 9.930 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.390 11.814 10.950 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.509 13.235 10.434 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.603 13.701 10.114 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.618 13.931 10.351 1.00 0.00 N ATOM 0 H GLN A 98 1.270 8.766 9.733 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.140 9.192 11.346 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.300 10.940 8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.901 10.938 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.986 11.710 11.857 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.646 11.617 11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.502 13.504 10.627 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.600 14.893 10.011 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.347 7.736 9.757 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.027 6.791 8.878 1.00 0.00 C ATOM 1479 C HIS A 99 -3.722 7.518 7.732 1.00 0.00 C ATOM 1480 O HIS A 99 -4.659 8.287 7.948 1.00 0.00 O ATOM 1481 CB HIS A 99 -4.046 5.969 9.669 1.00 0.00 C ATOM 1482 CG HIS A 99 -4.941 6.800 10.536 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.228 7.143 10.179 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -4.729 7.356 11.752 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -6.769 7.875 11.137 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -5.880 8.018 12.103 1.00 0.00 N ATOM 0 H HIS A 99 -2.786 7.853 10.670 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.278 6.120 8.458 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.658 5.396 8.972 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.515 5.250 10.293 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.824 7.291 12.337 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.768 8.286 11.131 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.025 8.536 12.970 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.257 7.270 6.511 1.00 0.00 N ATOM 1496 CA VAL A 100 -3.834 7.901 5.330 1.00 0.00 C ATOM 1497 C VAL A 100 -5.264 7.425 5.096 1.00 0.00 C ATOM 1498 O VAL A 100 -5.779 6.589 5.838 1.00 0.00 O ATOM 1499 CB VAL A 100 -2.995 7.610 4.072 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.551 8.039 4.282 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.074 6.134 3.709 1.00 0.00 C ATOM 0 H VAL A 100 -2.482 6.636 6.314 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.837 8.975 5.515 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.403 8.187 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.974 7.826 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.516 9.108 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.127 7.491 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.475 5.946 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.692 5.535 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.111 5.862 3.513 1.00 0.00 H new ATOM 1511 N GLN A 101 -5.898 7.962 4.059 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.268 7.591 3.727 1.00 0.00 C ATOM 1513 C GLN A 101 -7.316 6.218 3.065 1.00 0.00 C ATOM 1514 O GLN A 101 -6.472 5.889 2.233 1.00 0.00 O ATOM 1515 CB GLN A 101 -7.892 8.638 2.802 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.213 8.199 2.190 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.782 9.227 1.232 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -10.081 10.357 1.621 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -9.936 8.841 -0.029 1.00 0.00 N ATOM 0 H GLN A 101 -5.485 8.655 3.435 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.840 7.547 4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.049 9.559 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.189 8.869 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.069 7.256 1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.934 8.012 2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.675 7.895 -0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.315 9.490 -0.718 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.310 5.419 3.441 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.449 4.090 2.875 1.00 0.00 C ATOM 1530 C GLY A 102 -7.332 3.159 3.301 1.00 0.00 C ATOM 1531 O GLY A 102 -6.969 2.238 2.569 1.00 0.00 O ATOM 0 H GLY A 102 -9.022 5.669 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.406 3.667 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.464 4.161 1.787 1.00 0.00 H new ATOM 1535 N SER A 103 -6.785 3.398 4.488 1.00 0.00 N ATOM 1536 CA SER A 103 -5.699 2.576 5.009 1.00 0.00 C ATOM 1537 C SER A 103 -5.716 2.556 6.534 1.00 0.00 C ATOM 1538 O SER A 103 -6.016 3.553 7.191 1.00 0.00 O ATOM 1539 CB SER A 103 -4.351 3.100 4.510 1.00 0.00 C ATOM 1540 OG SER A 103 -3.417 2.044 4.359 1.00 0.00 O ATOM 0 H SER A 103 -7.076 4.154 5.107 1.00 0.00 H new ATOM 0 HA SER A 103 -5.842 1.557 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.486 3.609 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.961 3.837 5.212 1.00 0.00 H new ATOM 0 HG SER A 103 -3.365 1.786 3.415 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.387 1.391 7.113 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.029 0.197 6.342 1.00 0.00 C ATOM 1548 C PRO A 104 -6.224 -0.396 5.604 1.00 0.00 C ATOM 1549 O PRO A 104 -7.364 0.018 5.815 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.524 -0.776 7.410 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.196 -0.343 8.667 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.339 1.151 8.565 1.00 0.00 C ATOM 0 HA PRO A 104 -4.296 0.417 5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.779 -1.806 7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.439 -0.731 7.505 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.169 -0.822 8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.606 -0.620 9.541 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.244 1.503 9.061 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.499 1.668 9.030 1.00 0.00 H new ATOM 1560 N PHE A 105 -5.956 -1.367 4.737 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.010 -2.016 3.966 1.00 0.00 C ATOM 1562 C PHE A 105 -6.761 -3.519 3.864 1.00 0.00 C ATOM 1563 O PHE A 105 -5.616 -3.972 3.865 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.097 -1.406 2.566 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.822 -1.520 1.781 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -4.859 -0.526 1.849 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.585 -2.623 0.976 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -3.685 -0.629 1.127 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.412 -2.731 0.252 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.461 -1.733 0.329 1.00 0.00 C ATOM 0 H PHE A 105 -5.018 -1.722 4.551 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.956 -1.856 4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -7.899 -1.896 2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.367 -0.354 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.028 0.339 2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.325 -3.407 0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -2.943 0.154 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.240 -3.595 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.543 -1.816 -0.234 1.00 0.00 H new ATOM 1580 N THR A 106 -7.843 -4.287 3.775 1.00 0.00 N ATOM 1581 CA THR A 106 -7.744 -5.737 3.674 1.00 0.00 C ATOM 1582 C THR A 106 -7.534 -6.174 2.228 1.00 0.00 C ATOM 1583 O THR A 106 -8.135 -5.620 1.308 1.00 0.00 O ATOM 1584 CB THR A 106 -9.005 -6.426 4.228 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.570 -5.639 5.282 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.677 -7.818 4.747 1.00 0.00 C ATOM 0 H THR A 106 -8.798 -3.928 3.771 1.00 0.00 H new ATOM 0 HA THR A 106 -6.883 -6.037 4.271 1.00 0.00 H new ATOM 0 HB THR A 106 -9.728 -6.519 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.372 -6.083 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.583 -8.285 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.274 -8.424 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.938 -7.744 5.545 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.676 -7.171 2.035 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.388 -7.684 0.701 1.00 0.00 C ATOM 1596 C VAL A 107 -6.662 -9.181 0.617 1.00 0.00 C ATOM 1597 O VAL A 107 -6.457 -9.917 1.583 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.925 -7.418 0.302 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.584 -8.140 -0.993 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.672 -5.924 0.171 1.00 0.00 C ATOM 0 H VAL A 107 -6.168 -7.639 2.786 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.047 -7.158 0.010 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.277 -7.806 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.546 -7.940 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.724 -9.213 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.237 -7.785 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.633 -5.754 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.328 -5.510 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.873 -5.436 1.125 1.00 0.00 H new ATOM 1610 N THR A 108 -7.127 -9.628 -0.546 1.00 0.00 N ATOM 1611 CA THR A 108 -7.430 -11.038 -0.757 1.00 0.00 C ATOM 1612 C THR A 108 -6.471 -11.661 -1.765 1.00 0.00 C ATOM 1613 O THR A 108 -6.556 -11.397 -2.964 1.00 0.00 O ATOM 1614 CB THR A 108 -8.875 -11.234 -1.252 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.796 -10.678 -0.307 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.181 -12.709 -1.458 1.00 0.00 C ATOM 0 H THR A 108 -7.302 -9.033 -1.356 1.00 0.00 H new ATOM 0 HA THR A 108 -7.313 -11.534 0.207 1.00 0.00 H new ATOM 0 HB THR A 108 -8.981 -10.720 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.713 -10.805 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.207 -12.822 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.497 -13.122 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.058 -13.241 -0.515 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.558 -12.491 -1.271 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.583 -13.155 -2.129 1.00 0.00 C ATOM 1626 C VAL A 109 -5.143 -14.456 -2.692 1.00 0.00 C ATOM 1627 O VAL A 109 -5.377 -15.414 -1.955 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.279 -13.457 -1.368 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.257 -14.099 -2.293 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.721 -12.187 -0.743 1.00 0.00 C ATOM 0 H VAL A 109 -5.473 -12.720 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.366 -12.471 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.501 -14.162 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.342 -14.305 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.659 -15.032 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.036 -13.421 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.799 -12.419 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.513 -11.457 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.450 -11.774 -0.046 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.355 -14.483 -4.004 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.888 -15.667 -4.667 1.00 0.00 C ATOM 1642 C ARG A 110 -4.831 -16.764 -4.755 1.00 0.00 C ATOM 1643 O ARG A 110 -3.691 -16.576 -4.329 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.387 -15.312 -6.069 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.544 -14.326 -6.072 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.351 -14.419 -7.358 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.099 -13.193 -7.624 1.00 0.00 N ATOM 1648 CZ ARG A 110 -9.764 -12.968 -8.752 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -9.774 -13.881 -9.713 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -10.421 -11.828 -8.920 1.00 0.00 N ATOM 0 H ARG A 110 -5.166 -13.699 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.724 -16.038 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.561 -14.892 -6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.697 -16.225 -6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.193 -14.522 -5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.160 -13.313 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.681 -14.623 -8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.043 -15.259 -7.292 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.112 -12.470 -6.905 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.270 -14.759 -9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.285 -13.705 -10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.416 -11.123 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.931 -11.656 -9.786 1.00 0.00 H new ATOM 1664 N ARG A 111 -5.217 -17.908 -5.309 1.00 0.00 N ATOM 1665 CA ARG A 111 -4.303 -19.035 -5.450 1.00 0.00 C ATOM 1666 C ARG A 111 -3.847 -19.187 -6.898 1.00 0.00 C ATOM 1667 O ARG A 111 -4.632 -19.010 -7.830 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.975 -20.326 -4.979 1.00 0.00 C ATOM 1669 CG ARG A 111 -5.137 -20.413 -3.470 1.00 0.00 C ATOM 1670 CD ARG A 111 -6.205 -21.424 -3.081 1.00 0.00 C ATOM 1671 NE ARG A 111 -5.705 -22.795 -3.134 1.00 0.00 N ATOM 1672 CZ ARG A 111 -6.469 -23.864 -2.937 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -7.761 -23.720 -2.676 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -5.941 -25.079 -3.001 1.00 0.00 N ATOM 0 H ARG A 111 -6.156 -18.079 -5.668 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.428 -18.841 -4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -5.956 -20.406 -5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.388 -21.178 -5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.186 -20.694 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.401 -19.432 -3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.561 -21.206 -2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.060 -21.324 -3.750 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.715 -22.940 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -8.170 -22.787 -2.626 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -8.346 -24.542 -2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.947 -25.193 -3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -6.528 -25.899 -2.850 1.00 0.00 H new