USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 17 HIS : no HD1:sc= -0.379 X(o=-0.78,f=-0.71) USER MOD Set 1.2: A 81 GLN : amide:sc= -0.401 X(o=-0.78,f=-0.34) USER MOD Set 2.1: A 16 ASN : amide:sc= -4.94! C(o=-4.9!,f=-18!) USER MOD Set 2.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -121:sc= -1.11 (180deg=-2.57) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -47:sc= 0.618 USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.0264 (180deg=-0.218) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 67 THR OG1 : rot -59:sc= 0.671 USER MOD Single : A 71 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.097) USER MOD Single : A 72 THR OG1 : rot 81:sc= 1.04 USER MOD Single : A 73 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.0054) USER MOD Single : A 75 MET CE :methyl -146:sc= -3.57 (180deg=-4.49) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.385 9.606 1.835 1.00 0.00 N ATOM 81 CA ALA A 9 9.306 8.666 1.553 1.00 0.00 C ATOM 82 C ALA A 9 9.426 8.102 0.140 1.00 0.00 C ATOM 83 O ALA A 9 9.905 8.777 -0.769 1.00 0.00 O ATOM 84 CB ALA A 9 7.956 9.340 1.742 1.00 0.00 C ATOM 0 HA ALA A 9 9.386 7.836 2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.160 8.627 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.864 9.689 2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.875 10.189 1.063 1.00 0.00 H new ATOM 90 N ARG A 10 8.987 6.859 -0.034 1.00 0.00 N ATOM 91 CA ARG A 10 9.046 6.204 -1.335 1.00 0.00 C ATOM 92 C ARG A 10 7.679 6.216 -2.012 1.00 0.00 C ATOM 93 O ARG A 10 6.637 6.121 -1.364 1.00 0.00 O ATOM 94 CB ARG A 10 9.540 4.764 -1.181 1.00 0.00 C ATOM 95 CG ARG A 10 11.032 4.656 -0.920 1.00 0.00 C ATOM 96 CD ARG A 10 11.827 4.658 -2.216 1.00 0.00 C ATOM 97 NE ARG A 10 12.208 6.007 -2.623 1.00 0.00 N ATOM 98 CZ ARG A 10 13.165 6.713 -2.029 1.00 0.00 C ATOM 99 NH1 ARG A 10 13.834 6.197 -1.007 1.00 0.00 N ATOM 100 NH2 ARG A 10 13.453 7.934 -2.457 1.00 0.00 N ATOM 0 H ARG A 10 8.587 6.286 0.709 1.00 0.00 H new ATOM 0 HA ARG A 10 9.746 6.756 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.001 4.290 -0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.297 4.207 -2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.354 5.488 -0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.240 3.741 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.723 4.050 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.235 4.195 -3.005 1.00 0.00 H new ATOM 0 HE ARG A 10 11.712 6.432 -3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.614 5.258 -0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.568 6.740 -0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.940 8.333 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.188 8.475 -2.000 1.00 0.00 H new ATOM 114 N PRO A 11 7.682 6.335 -3.349 1.00 0.00 N ATOM 115 CA PRO A 11 6.450 6.361 -4.142 1.00 0.00 C ATOM 116 C PRO A 11 5.746 5.008 -4.166 1.00 0.00 C ATOM 117 O PRO A 11 6.373 3.974 -4.394 1.00 0.00 O ATOM 118 CB PRO A 11 6.940 6.733 -5.544 1.00 0.00 C ATOM 119 CG PRO A 11 8.358 6.277 -5.583 1.00 0.00 C ATOM 120 CD PRO A 11 8.886 6.451 -4.186 1.00 0.00 C ATOM 0 HA PRO A 11 5.716 7.055 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.345 6.242 -6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.864 7.806 -5.718 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.425 5.236 -5.899 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.938 6.864 -6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.623 5.688 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.373 7.418 -4.058 1.00 0.00 H new ATOM 128 N PHE A 12 4.438 5.024 -3.929 1.00 0.00 N ATOM 129 CA PHE A 12 3.648 3.798 -3.923 1.00 0.00 C ATOM 130 C PHE A 12 2.252 4.047 -4.485 1.00 0.00 C ATOM 131 O PHE A 12 1.621 5.060 -4.182 1.00 0.00 O ATOM 132 CB PHE A 12 3.546 3.239 -2.501 1.00 0.00 C ATOM 133 CG PHE A 12 4.880 2.970 -1.866 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.651 1.893 -2.274 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.361 3.792 -0.861 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.879 1.642 -1.691 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.589 3.547 -0.275 1.00 0.00 C ATOM 138 CZ PHE A 12 7.349 2.470 -0.690 1.00 0.00 C ATOM 0 H PHE A 12 3.903 5.872 -3.739 1.00 0.00 H new ATOM 0 HA PHE A 12 4.151 3.068 -4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.993 3.944 -1.881 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.970 2.314 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.288 1.243 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.770 4.634 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.470 0.799 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.954 4.197 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.308 2.276 -0.233 1.00 0.00 H new ATOM 148 N ARG A 13 1.776 3.117 -5.306 1.00 0.00 N ATOM 149 CA ARG A 13 0.456 3.236 -5.912 1.00 0.00 C ATOM 150 C ARG A 13 -0.563 2.377 -5.170 1.00 0.00 C ATOM 151 O ARG A 13 -0.294 1.222 -4.839 1.00 0.00 O ATOM 152 CB ARG A 13 0.508 2.824 -7.385 1.00 0.00 C ATOM 153 CG ARG A 13 1.102 3.888 -8.294 1.00 0.00 C ATOM 154 CD ARG A 13 2.620 3.901 -8.220 1.00 0.00 C ATOM 155 NE ARG A 13 3.110 4.803 -7.180 1.00 0.00 N ATOM 156 CZ ARG A 13 3.003 6.125 -7.245 1.00 0.00 C ATOM 157 NH1 ARG A 13 2.426 6.697 -8.293 1.00 0.00 N ATOM 158 NH2 ARG A 13 3.472 6.879 -6.259 1.00 0.00 N ATOM 0 H ARG A 13 2.285 2.273 -5.567 1.00 0.00 H new ATOM 0 HA ARG A 13 0.146 4.279 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.095 1.910 -7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.501 2.590 -7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.789 3.706 -9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.715 4.867 -8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.982 2.892 -8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.027 4.204 -9.184 1.00 0.00 H new ATOM 0 HE ARG A 13 3.558 4.395 -6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.063 6.121 -9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.346 7.713 -8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.915 6.443 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.389 7.894 -6.310 1.00 0.00 H new ATOM 172 N VAL A 14 -1.735 2.950 -4.908 1.00 0.00 N ATOM 173 CA VAL A 14 -2.794 2.237 -4.205 1.00 0.00 C ATOM 174 C VAL A 14 -4.042 2.115 -5.071 1.00 0.00 C ATOM 175 O VAL A 14 -4.369 3.019 -5.840 1.00 0.00 O ATOM 176 CB VAL A 14 -3.165 2.942 -2.887 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.092 2.069 -2.056 1.00 0.00 C ATOM 178 CG2 VAL A 14 -1.911 3.298 -2.102 1.00 0.00 C ATOM 0 H VAL A 14 -1.974 3.906 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.411 1.241 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.692 3.866 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.343 2.584 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.004 1.869 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.594 1.127 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.192 3.795 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.355 2.389 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.287 3.965 -2.697 1.00 0.00 H new ATOM 188 N SER A 15 -4.737 0.989 -4.942 1.00 0.00 N ATOM 189 CA SER A 15 -5.949 0.745 -5.715 1.00 0.00 C ATOM 190 C SER A 15 -7.053 0.174 -4.830 1.00 0.00 C ATOM 191 O SER A 15 -6.781 -0.493 -3.834 1.00 0.00 O ATOM 192 CB SER A 15 -5.657 -0.214 -6.871 1.00 0.00 C ATOM 193 OG SER A 15 -4.631 0.291 -7.706 1.00 0.00 O ATOM 0 H SER A 15 -4.481 0.231 -4.309 1.00 0.00 H new ATOM 0 HA SER A 15 -6.290 1.698 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.363 -1.186 -6.476 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.563 -0.369 -7.457 1.00 0.00 H new ATOM 0 HG SER A 15 -4.463 -0.341 -8.436 1.00 0.00 H new ATOM 199 N ASN A 16 -8.300 0.442 -5.204 1.00 0.00 N ATOM 200 CA ASN A 16 -9.446 -0.044 -4.445 1.00 0.00 C ATOM 201 C ASN A 16 -9.702 -1.521 -4.731 1.00 0.00 C ATOM 202 O ASN A 16 -9.011 -2.136 -5.545 1.00 0.00 O ATOM 203 CB ASN A 16 -10.693 0.775 -4.783 1.00 0.00 C ATOM 204 CG ASN A 16 -11.192 0.515 -6.190 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.836 -0.487 -6.812 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.022 1.417 -6.700 1.00 0.00 N ATOM 0 H ASN A 16 -8.542 0.993 -6.028 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.221 0.069 -3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.484 0.539 -4.071 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.469 1.836 -4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.391 1.295 -7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.290 2.232 -6.149 1.00 0.00 H new ATOM 213 N HIS A 17 -10.699 -2.086 -4.058 1.00 0.00 N ATOM 214 CA HIS A 17 -11.047 -3.490 -4.241 1.00 0.00 C ATOM 215 C HIS A 17 -11.345 -3.789 -5.706 1.00 0.00 C ATOM 216 O HIS A 17 -10.942 -4.826 -6.233 1.00 0.00 O ATOM 217 CB HIS A 17 -12.255 -3.855 -3.377 1.00 0.00 C ATOM 218 CG HIS A 17 -13.477 -3.045 -3.683 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.448 -3.455 -4.572 1.00 0.00 N ATOM 220 CD2 HIS A 17 -13.882 -1.842 -3.213 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.398 -2.539 -4.635 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.079 -1.551 -3.820 1.00 0.00 N ATOM 0 H HIS A 17 -11.280 -1.593 -3.381 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.194 -4.094 -3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.485 -4.911 -3.516 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.994 -3.721 -2.327 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.361 -1.226 -2.495 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.285 -2.590 -5.249 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.632 -0.708 -3.666 1.00 0.00 H new ATOM 231 N ASP A 18 -12.056 -2.875 -6.359 1.00 0.00 N ATOM 232 CA ASP A 18 -12.408 -3.041 -7.764 1.00 0.00 C ATOM 233 C ASP A 18 -11.259 -2.606 -8.668 1.00 0.00 C ATOM 234 O ASP A 18 -11.443 -2.400 -9.868 1.00 0.00 O ATOM 235 CB ASP A 18 -13.666 -2.235 -8.094 1.00 0.00 C ATOM 236 CG ASP A 18 -14.011 -2.280 -9.570 1.00 0.00 C ATOM 237 OD1 ASP A 18 -13.994 -3.387 -10.150 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.300 -1.210 -10.144 1.00 0.00 O ATOM 0 H ASP A 18 -12.399 -2.012 -5.937 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.605 -4.098 -7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.505 -2.623 -7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.521 -1.199 -7.789 1.00 0.00 H new ATOM 243 N ARG A 19 -10.073 -2.468 -8.083 1.00 0.00 N ATOM 244 CA ARG A 19 -8.894 -2.057 -8.836 1.00 0.00 C ATOM 245 C ARG A 19 -9.263 -1.035 -9.908 1.00 0.00 C ATOM 246 O ARG A 19 -8.825 -1.138 -11.054 1.00 0.00 O ATOM 247 CB ARG A 19 -8.224 -3.270 -9.481 1.00 0.00 C ATOM 248 CG ARG A 19 -7.732 -4.300 -8.477 1.00 0.00 C ATOM 249 CD ARG A 19 -7.232 -5.559 -9.169 1.00 0.00 C ATOM 250 NE ARG A 19 -8.283 -6.209 -9.948 1.00 0.00 N ATOM 251 CZ ARG A 19 -8.150 -7.406 -10.507 1.00 0.00 C ATOM 252 NH1 ARG A 19 -7.016 -8.080 -10.375 1.00 0.00 N ATOM 253 NH2 ARG A 19 -9.151 -7.929 -11.202 1.00 0.00 N ATOM 0 H ARG A 19 -9.904 -2.635 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.194 -1.593 -8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.931 -3.746 -10.160 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.381 -2.931 -10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.930 -3.870 -7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.540 -4.557 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.399 -5.306 -9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.850 -6.256 -8.423 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.168 -5.716 -10.069 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.243 -7.679 -9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.916 -8.999 -10.805 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.024 -7.412 -11.307 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.048 -8.849 -11.631 1.00 0.00 H new ATOM 267 N SER A 20 -10.071 -0.051 -9.528 1.00 0.00 N ATOM 268 CA SER A 20 -10.502 0.986 -10.458 1.00 0.00 C ATOM 269 C SER A 20 -9.907 2.338 -10.079 1.00 0.00 C ATOM 270 O SER A 20 -9.682 3.193 -10.935 1.00 0.00 O ATOM 271 CB SER A 20 -12.030 1.076 -10.482 1.00 0.00 C ATOM 272 OG SER A 20 -12.476 1.897 -11.548 1.00 0.00 O ATOM 0 H SER A 20 -10.440 0.050 -8.583 1.00 0.00 H new ATOM 0 HA SER A 20 -10.145 0.719 -11.453 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.455 0.077 -10.586 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.389 1.478 -9.535 1.00 0.00 H new ATOM 0 HG SER A 20 -13.455 1.937 -11.542 1.00 0.00 H new ATOM 278 N SER A 21 -9.656 2.525 -8.787 1.00 0.00 N ATOM 279 CA SER A 21 -9.091 3.774 -8.291 1.00 0.00 C ATOM 280 C SER A 21 -7.569 3.691 -8.219 1.00 0.00 C ATOM 281 O SER A 21 -7.005 2.623 -7.978 1.00 0.00 O ATOM 282 CB SER A 21 -9.661 4.104 -6.909 1.00 0.00 C ATOM 283 OG SER A 21 -10.982 4.607 -7.010 1.00 0.00 O ATOM 0 H SER A 21 -9.835 1.827 -8.065 1.00 0.00 H new ATOM 0 HA SER A 21 -9.362 4.568 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.656 3.209 -6.287 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.025 4.839 -6.416 1.00 0.00 H new ATOM 0 HG SER A 21 -11.325 4.809 -6.114 1.00 0.00 H new ATOM 289 N ARG A 22 -6.910 4.826 -8.430 1.00 0.00 N ATOM 290 CA ARG A 22 -5.454 4.883 -8.390 1.00 0.00 C ATOM 291 C ARG A 22 -4.979 6.082 -7.577 1.00 0.00 C ATOM 292 O ARG A 22 -5.196 7.231 -7.961 1.00 0.00 O ATOM 293 CB ARG A 22 -4.887 4.958 -9.810 1.00 0.00 C ATOM 294 CG ARG A 22 -5.284 3.782 -10.688 1.00 0.00 C ATOM 295 CD ARG A 22 -5.212 4.140 -12.164 1.00 0.00 C ATOM 296 NE ARG A 22 -6.183 3.390 -12.957 1.00 0.00 N ATOM 297 CZ ARG A 22 -6.194 3.379 -14.285 1.00 0.00 C ATOM 298 NH1 ARG A 22 -5.292 4.072 -14.965 1.00 0.00 N ATOM 299 NH2 ARG A 22 -7.110 2.672 -14.934 1.00 0.00 N ATOM 0 H ARG A 22 -7.362 5.718 -8.630 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.092 3.974 -7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.226 5.881 -10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.800 5.009 -9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.627 2.937 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.297 3.465 -10.438 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.391 5.208 -12.287 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.208 3.940 -12.537 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.891 2.845 -12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.586 4.616 -14.468 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.303 4.061 -15.985 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.805 2.137 -14.413 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.119 2.663 -15.954 1.00 0.00 H new ATOM 313 N ARG A 23 -4.328 5.807 -6.450 1.00 0.00 N ATOM 314 CA ARG A 23 -3.823 6.863 -5.581 1.00 0.00 C ATOM 315 C ARG A 23 -2.365 6.612 -5.211 1.00 0.00 C ATOM 316 O ARG A 23 -2.030 5.580 -4.630 1.00 0.00 O ATOM 317 CB ARG A 23 -4.673 6.958 -4.313 1.00 0.00 C ATOM 318 CG ARG A 23 -4.735 8.360 -3.726 1.00 0.00 C ATOM 319 CD ARG A 23 -3.394 8.778 -3.142 1.00 0.00 C ATOM 320 NE ARG A 23 -2.560 9.464 -4.126 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.903 10.606 -4.712 1.00 0.00 C ATOM 322 NH1 ARG A 23 -4.059 11.185 -4.415 1.00 0.00 N ATOM 323 NH2 ARG A 23 -2.091 11.169 -5.597 1.00 0.00 N ATOM 0 H ARG A 23 -4.138 4.861 -6.118 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.885 7.806 -6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.685 6.622 -4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.270 6.277 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.033 9.067 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.499 8.397 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.559 9.433 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.869 7.897 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.665 9.043 -4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.686 10.753 -3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.321 12.062 -4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.202 10.725 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.355 12.046 -6.046 1.00 0.00 H new ATOM 337 N GLY A 24 -1.501 7.562 -5.553 1.00 0.00 N ATOM 338 CA GLY A 24 -0.088 7.426 -5.249 1.00 0.00 C ATOM 339 C GLY A 24 0.294 8.104 -3.950 1.00 0.00 C ATOM 340 O GLY A 24 0.219 9.328 -3.834 1.00 0.00 O ATOM 0 H GLY A 24 -1.754 8.424 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.168 6.368 -5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.498 7.852 -6.063 1.00 0.00 H new ATOM 344 N VAL A 25 0.705 7.309 -2.967 1.00 0.00 N ATOM 345 CA VAL A 25 1.100 7.841 -1.668 1.00 0.00 C ATOM 346 C VAL A 25 2.590 7.632 -1.419 1.00 0.00 C ATOM 347 O VAL A 25 3.162 6.621 -1.824 1.00 0.00 O ATOM 348 CB VAL A 25 0.303 7.182 -0.526 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.570 7.895 0.791 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.184 7.179 -0.848 1.00 0.00 C ATOM 0 H VAL A 25 0.773 6.294 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 25 0.883 8.909 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 25 0.632 6.148 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.001 7.416 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.633 7.841 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.269 8.939 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.732 6.710 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.531 8.204 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.356 6.620 -1.768 1.00 0.00 H new ATOM 360 N MET A 26 3.213 8.597 -0.750 1.00 0.00 N ATOM 361 CA MET A 26 4.637 8.519 -0.446 1.00 0.00 C ATOM 362 C MET A 26 4.863 8.341 1.052 1.00 0.00 C ATOM 363 O MET A 26 4.625 9.257 1.839 1.00 0.00 O ATOM 364 CB MET A 26 5.355 9.777 -0.935 1.00 0.00 C ATOM 365 CG MET A 26 5.335 9.940 -2.447 1.00 0.00 C ATOM 366 SD MET A 26 6.685 10.971 -3.052 1.00 0.00 S ATOM 367 CE MET A 26 8.099 9.949 -2.647 1.00 0.00 C ATOM 0 H MET A 26 2.754 9.442 -0.408 1.00 0.00 H new ATOM 0 HA MET A 26 5.047 7.652 -0.964 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.891 10.651 -0.477 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.390 9.750 -0.594 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.395 8.958 -2.915 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.384 10.379 -2.749 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.765 10.497 -1.980 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.760 9.038 -2.153 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.634 9.689 -3.561 1.00 0.00 H new ATOM 377 N ALA A 27 5.324 7.155 1.440 1.00 0.00 N ATOM 378 CA ALA A 27 5.583 6.858 2.842 1.00 0.00 C ATOM 379 C ALA A 27 6.964 6.236 3.026 1.00 0.00 C ATOM 380 O ALA A 27 7.495 5.604 2.114 1.00 0.00 O ATOM 381 CB ALA A 27 4.509 5.934 3.395 1.00 0.00 C ATOM 0 H ALA A 27 5.525 6.385 0.802 1.00 0.00 H new ATOM 0 HA ALA A 27 5.559 7.797 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.717 5.721 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.535 6.415 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.505 5.002 2.830 1.00 0.00 H new ATOM 387 N SER A 28 7.538 6.420 4.210 1.00 0.00 N ATOM 388 CA SER A 28 8.859 5.881 4.511 1.00 0.00 C ATOM 389 C SER A 28 8.765 4.419 4.936 1.00 0.00 C ATOM 390 O SER A 28 9.642 3.613 4.627 1.00 0.00 O ATOM 391 CB SER A 28 9.530 6.702 5.613 1.00 0.00 C ATOM 392 OG SER A 28 10.798 6.166 5.948 1.00 0.00 O ATOM 0 H SER A 28 7.109 6.938 4.977 1.00 0.00 H new ATOM 0 HA SER A 28 9.463 5.940 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.644 7.735 5.283 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.893 6.718 6.498 1.00 0.00 H new ATOM 0 HG SER A 28 11.207 6.710 6.654 1.00 0.00 H new ATOM 398 N SER A 29 7.693 4.084 5.648 1.00 0.00 N ATOM 399 CA SER A 29 7.485 2.721 6.120 1.00 0.00 C ATOM 400 C SER A 29 6.098 2.217 5.731 1.00 0.00 C ATOM 401 O SER A 29 5.354 2.897 5.024 1.00 0.00 O ATOM 402 CB SER A 29 7.657 2.651 7.639 1.00 0.00 C ATOM 403 OG SER A 29 8.688 3.520 8.075 1.00 0.00 O ATOM 0 H SER A 29 6.956 4.738 5.910 1.00 0.00 H new ATOM 0 HA SER A 29 8.231 2.082 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.720 2.919 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.889 1.628 7.935 1.00 0.00 H new ATOM 0 HG SER A 29 8.777 3.459 9.049 1.00 0.00 H new ATOM 409 N LEU A 30 5.757 1.021 6.198 1.00 0.00 N ATOM 410 CA LEU A 30 4.460 0.425 5.900 1.00 0.00 C ATOM 411 C LEU A 30 3.352 1.101 6.701 1.00 0.00 C ATOM 412 O LEU A 30 2.398 1.629 6.132 1.00 0.00 O ATOM 413 CB LEU A 30 4.484 -1.075 6.205 1.00 0.00 C ATOM 414 CG LEU A 30 3.120 -1.756 6.329 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.473 -1.907 4.960 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.260 -3.111 7.006 1.00 0.00 C ATOM 0 H LEU A 30 6.361 0.445 6.785 1.00 0.00 H new ATOM 0 HA LEU A 30 4.256 0.571 4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.048 -1.576 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.030 -1.228 7.136 1.00 0.00 H new ATOM 0 HG LEU A 30 2.477 -1.129 6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.503 -2.393 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.338 -0.923 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.114 -2.513 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.280 -3.581 7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.920 -3.746 6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.681 -2.978 8.003 1.00 0.00 H new ATOM 428 N GLN A 31 3.489 1.081 8.023 1.00 0.00 N ATOM 429 CA GLN A 31 2.500 1.695 8.901 1.00 0.00 C ATOM 430 C GLN A 31 2.143 3.099 8.424 1.00 0.00 C ATOM 431 O GLN A 31 0.978 3.493 8.444 1.00 0.00 O ATOM 432 CB GLN A 31 3.026 1.749 10.337 1.00 0.00 C ATOM 433 CG GLN A 31 2.119 2.512 11.289 1.00 0.00 C ATOM 434 CD GLN A 31 1.036 1.637 11.890 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.137 1.208 13.039 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.007 1.369 11.114 1.00 0.00 N ATOM 0 H GLN A 31 4.274 0.647 8.509 1.00 0.00 H new ATOM 0 HA GLN A 31 1.598 1.083 8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.153 0.732 10.707 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.012 2.214 10.337 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.720 2.942 12.090 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.656 3.343 10.756 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.049 1.746 10.167 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.767 0.786 11.464 1.00 0.00 H new ATOM 445 N GLU A 32 3.155 3.847 7.996 1.00 0.00 N ATOM 446 CA GLU A 32 2.948 5.208 7.516 1.00 0.00 C ATOM 447 C GLU A 32 2.009 5.222 6.312 1.00 0.00 C ATOM 448 O GLU A 32 1.093 6.043 6.234 1.00 0.00 O ATOM 449 CB GLU A 32 4.285 5.850 7.140 1.00 0.00 C ATOM 450 CG GLU A 32 4.157 7.283 6.651 1.00 0.00 C ATOM 451 CD GLU A 32 5.389 8.114 6.950 1.00 0.00 C ATOM 452 OE1 GLU A 32 6.454 7.828 6.361 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.290 9.050 7.771 1.00 0.00 O ATOM 0 H GLU A 32 4.125 3.534 7.972 1.00 0.00 H new ATOM 0 HA GLU A 32 2.491 5.784 8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.945 5.829 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.760 5.251 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.977 7.281 5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.289 7.746 7.119 1.00 0.00 H new ATOM 460 N LEU A 33 2.243 4.310 5.375 1.00 0.00 N ATOM 461 CA LEU A 33 1.420 4.217 4.175 1.00 0.00 C ATOM 462 C LEU A 33 -0.033 3.921 4.533 1.00 0.00 C ATOM 463 O LEU A 33 -0.912 4.763 4.347 1.00 0.00 O ATOM 464 CB LEU A 33 1.960 3.128 3.245 1.00 0.00 C ATOM 465 CG LEU A 33 1.098 2.800 2.026 1.00 0.00 C ATOM 466 CD1 LEU A 33 1.148 3.935 1.015 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.552 1.495 1.388 1.00 0.00 C ATOM 0 H LEU A 33 2.996 3.624 5.423 1.00 0.00 H new ATOM 0 HA LEU A 33 1.460 5.178 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.947 3.432 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.095 2.216 3.826 1.00 0.00 H new ATOM 0 HG LEU A 33 0.066 2.681 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.528 3.683 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.775 4.849 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.177 4.087 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.927 1.277 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.591 1.587 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.463 0.686 2.112 1.00 0.00 H new ATOM 479 N ILE A 34 -0.278 2.722 5.050 1.00 0.00 N ATOM 480 CA ILE A 34 -1.623 2.318 5.437 1.00 0.00 C ATOM 481 C ILE A 34 -2.417 3.499 5.982 1.00 0.00 C ATOM 482 O ILE A 34 -3.446 3.880 5.423 1.00 0.00 O ATOM 483 CB ILE A 34 -1.591 1.201 6.498 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.979 -0.073 5.912 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.994 0.929 7.023 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.573 -1.085 6.960 1.00 0.00 C ATOM 0 H ILE A 34 0.438 2.013 5.210 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.110 1.941 4.538 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.969 1.529 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.698 -0.533 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.105 0.193 5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.955 0.138 7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.396 1.836 7.474 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.637 0.618 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.147 -1.962 6.473 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.169 -0.643 7.625 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.448 -1.380 7.539 1.00 0.00 H new ATOM 498 N SER A 35 -1.932 4.077 7.077 1.00 0.00 N ATOM 499 CA SER A 35 -2.598 5.215 7.699 1.00 0.00 C ATOM 500 C SER A 35 -2.886 6.305 6.671 1.00 0.00 C ATOM 501 O SER A 35 -3.992 6.843 6.613 1.00 0.00 O ATOM 502 CB SER A 35 -1.736 5.781 8.829 1.00 0.00 C ATOM 503 OG SER A 35 -0.608 6.468 8.316 1.00 0.00 O ATOM 0 H SER A 35 -1.081 3.776 7.551 1.00 0.00 H new ATOM 0 HA SER A 35 -3.546 4.869 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.332 6.459 9.440 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.407 4.971 9.480 1.00 0.00 H new ATOM 0 HG SER A 35 -0.173 5.917 7.632 1.00 0.00 H new ATOM 509 N LYS A 36 -1.884 6.625 5.860 1.00 0.00 N ATOM 510 CA LYS A 36 -2.027 7.648 4.831 1.00 0.00 C ATOM 511 C LYS A 36 -3.170 7.307 3.880 1.00 0.00 C ATOM 512 O LYS A 36 -4.074 8.115 3.662 1.00 0.00 O ATOM 513 CB LYS A 36 -0.723 7.798 4.046 1.00 0.00 C ATOM 514 CG LYS A 36 0.270 8.749 4.692 1.00 0.00 C ATOM 515 CD LYS A 36 1.365 9.156 3.720 1.00 0.00 C ATOM 516 CE LYS A 36 2.004 10.477 4.122 1.00 0.00 C ATOM 517 NZ LYS A 36 1.087 11.629 3.894 1.00 0.00 N ATOM 0 H LYS A 36 -0.962 6.190 5.895 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.257 8.593 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.258 6.818 3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.952 8.153 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.253 9.638 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.716 8.273 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.128 8.378 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.949 9.242 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.285 10.439 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.921 10.625 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.638 12.511 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.589 11.503 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.393 11.679 4.667 1.00 0.00 H new ATOM 531 N THR A 37 -3.124 6.104 3.315 1.00 0.00 N ATOM 532 CA THR A 37 -4.155 5.656 2.388 1.00 0.00 C ATOM 533 C THR A 37 -5.546 6.032 2.886 1.00 0.00 C ATOM 534 O THR A 37 -6.224 6.870 2.291 1.00 0.00 O ATOM 535 CB THR A 37 -4.094 4.132 2.174 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.774 3.746 1.777 1.00 0.00 O ATOM 537 CG2 THR A 37 -5.096 3.693 1.116 1.00 0.00 C ATOM 0 H THR A 37 -2.384 5.423 3.484 1.00 0.00 H new ATOM 0 HA THR A 37 -3.965 6.157 1.439 1.00 0.00 H new ATOM 0 HB THR A 37 -4.347 3.645 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.743 2.775 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.034 2.613 0.982 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.103 3.962 1.435 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.869 4.189 0.172 1.00 0.00 H new ATOM 545 N LEU A 38 -5.964 5.409 3.982 1.00 0.00 N ATOM 546 CA LEU A 38 -7.275 5.680 4.563 1.00 0.00 C ATOM 547 C LEU A 38 -7.626 7.160 4.448 1.00 0.00 C ATOM 548 O LEU A 38 -8.774 7.517 4.180 1.00 0.00 O ATOM 549 CB LEU A 38 -7.303 5.250 6.031 1.00 0.00 C ATOM 550 CG LEU A 38 -7.465 3.751 6.288 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.872 3.375 7.636 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.932 3.353 6.218 1.00 0.00 C ATOM 0 H LEU A 38 -5.415 4.713 4.486 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.017 5.105 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.379 5.582 6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.120 5.774 6.527 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.925 3.208 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.996 2.305 7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.811 3.624 7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.383 3.927 8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.028 2.283 6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.495 3.904 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.326 3.587 5.229 1.00 0.00 H new ATOM 564 N ASP A 39 -6.631 8.016 4.649 1.00 0.00 N ATOM 565 CA ASP A 39 -6.835 9.458 4.565 1.00 0.00 C ATOM 566 C ASP A 39 -6.984 9.901 3.113 1.00 0.00 C ATOM 567 O ASP A 39 -7.950 10.574 2.756 1.00 0.00 O ATOM 568 CB ASP A 39 -5.667 10.198 5.220 1.00 0.00 C ATOM 569 CG ASP A 39 -6.077 11.545 5.780 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.277 11.724 6.079 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.198 12.421 5.922 1.00 0.00 O ATOM 0 H ASP A 39 -5.675 7.737 4.871 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.754 9.703 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.256 9.584 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.873 10.339 4.487 1.00 0.00 H new ATOM 576 N ALA A 40 -6.021 9.521 2.281 1.00 0.00 N ATOM 577 CA ALA A 40 -6.047 9.878 0.868 1.00 0.00 C ATOM 578 C ALA A 40 -7.357 9.449 0.216 1.00 0.00 C ATOM 579 O ALA A 40 -8.093 10.275 -0.324 1.00 0.00 O ATOM 580 CB ALA A 40 -4.865 9.251 0.144 1.00 0.00 C ATOM 0 H ALA A 40 -5.213 8.966 2.561 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.973 10.963 0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.897 9.526 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.936 9.611 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.915 8.166 0.238 1.00 0.00 H new ATOM 586 N LEU A 41 -7.643 8.152 0.271 1.00 0.00 N ATOM 587 CA LEU A 41 -8.864 7.613 -0.314 1.00 0.00 C ATOM 588 C LEU A 41 -10.089 8.050 0.483 1.00 0.00 C ATOM 589 O LEU A 41 -11.226 7.829 0.066 1.00 0.00 O ATOM 590 CB LEU A 41 -8.796 6.086 -0.370 1.00 0.00 C ATOM 591 CG LEU A 41 -8.008 5.491 -1.538 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.729 4.016 -1.299 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.764 5.687 -2.845 1.00 0.00 C ATOM 0 H LEU A 41 -7.045 7.455 0.715 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.955 8.004 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.354 5.728 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.814 5.698 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.054 6.013 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.168 3.611 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.147 3.899 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.672 3.479 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.189 5.258 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.733 5.192 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.912 6.752 -3.024 1.00 0.00 H new ATOM 605 N VAL A 42 -9.850 8.672 1.633 1.00 0.00 N ATOM 606 CA VAL A 42 -10.933 9.143 2.488 1.00 0.00 C ATOM 607 C VAL A 42 -11.973 8.051 2.709 1.00 0.00 C ATOM 608 O VAL A 42 -13.169 8.272 2.517 1.00 0.00 O ATOM 609 CB VAL A 42 -11.624 10.381 1.888 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.524 11.044 2.919 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.589 11.365 1.359 1.00 0.00 C ATOM 0 H VAL A 42 -8.915 8.862 1.994 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.486 9.414 3.445 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.246 10.059 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.003 11.917 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.287 10.337 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.927 11.354 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.095 12.234 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.939 11.683 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.991 10.883 0.585 1.00 0.00 H new ATOM 621 N ILE A 43 -11.509 6.873 3.114 1.00 0.00 N ATOM 622 CA ILE A 43 -12.401 5.747 3.362 1.00 0.00 C ATOM 623 C ILE A 43 -13.354 6.044 4.514 1.00 0.00 C ATOM 624 O ILE A 43 -12.958 6.614 5.530 1.00 0.00 O ATOM 625 CB ILE A 43 -11.611 4.464 3.683 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.664 4.121 2.530 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.563 3.310 3.954 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.698 3.004 2.855 1.00 0.00 C ATOM 0 H ILE A 43 -10.522 6.674 3.277 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.976 5.592 2.449 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.015 4.636 4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.254 3.839 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.098 5.012 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.990 2.411 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.201 3.556 4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.182 3.135 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.058 2.814 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.083 3.292 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.256 2.100 3.099 1.00 0.00 H new ATOM 640 N ALA A 44 -14.613 5.652 4.349 1.00 0.00 N ATOM 641 CA ALA A 44 -15.623 5.872 5.376 1.00 0.00 C ATOM 642 C ALA A 44 -15.146 5.366 6.733 1.00 0.00 C ATOM 643 O ALA A 44 -14.964 6.144 7.669 1.00 0.00 O ATOM 644 CB ALA A 44 -16.929 5.195 4.987 1.00 0.00 C ATOM 0 H ALA A 44 -14.958 5.180 3.513 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.794 6.945 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.674 5.368 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.286 5.608 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.764 4.123 4.875 1.00 0.00 H new ATOM 650 N THR A 45 -14.946 4.055 6.833 1.00 0.00 N ATOM 651 CA THR A 45 -14.491 3.444 8.076 1.00 0.00 C ATOM 652 C THR A 45 -12.977 3.275 8.084 1.00 0.00 C ATOM 653 O THR A 45 -12.323 3.404 7.050 1.00 0.00 O ATOM 654 CB THR A 45 -15.151 2.072 8.301 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.813 1.571 9.599 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.708 1.077 7.238 1.00 0.00 C ATOM 0 H THR A 45 -15.092 3.396 6.068 1.00 0.00 H new ATOM 0 HA THR A 45 -14.782 4.116 8.883 1.00 0.00 H new ATOM 0 HB THR A 45 -16.231 2.199 8.231 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.239 0.699 9.734 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.187 0.115 7.418 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.993 1.446 6.253 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.626 0.957 7.281 1.00 0.00 H new ATOM 664 N GLY A 46 -12.424 2.985 9.258 1.00 0.00 N ATOM 665 CA GLY A 46 -10.989 2.802 9.377 1.00 0.00 C ATOM 666 C GLY A 46 -10.571 1.359 9.175 1.00 0.00 C ATOM 667 O GLY A 46 -9.586 1.081 8.490 1.00 0.00 O ATOM 0 H GLY A 46 -12.944 2.874 10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.483 3.430 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.663 3.137 10.362 1.00 0.00 H new ATOM 671 N LEU A 47 -11.317 0.438 9.773 1.00 0.00 N ATOM 672 CA LEU A 47 -11.016 -0.985 9.657 1.00 0.00 C ATOM 673 C LEU A 47 -10.772 -1.372 8.202 1.00 0.00 C ATOM 674 O LEU A 47 -11.692 -1.366 7.384 1.00 0.00 O ATOM 675 CB LEU A 47 -12.164 -1.817 10.232 1.00 0.00 C ATOM 676 CG LEU A 47 -11.857 -3.291 10.498 1.00 0.00 C ATOM 677 CD1 LEU A 47 -11.389 -3.977 9.223 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.810 -3.429 11.594 1.00 0.00 C ATOM 0 H LEU A 47 -12.135 0.650 10.344 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.108 -1.188 10.225 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.485 -1.359 11.168 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -13.007 -1.761 9.544 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.772 -3.778 10.834 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.175 -5.025 9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.170 -3.910 8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.486 -3.488 8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.604 -4.485 11.770 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.893 -2.927 11.286 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.182 -2.974 12.512 1.00 0.00 H new ATOM 690 N VAL A 48 -9.527 -1.712 7.887 1.00 0.00 N ATOM 691 CA VAL A 48 -9.161 -2.106 6.531 1.00 0.00 C ATOM 692 C VAL A 48 -7.946 -3.027 6.536 1.00 0.00 C ATOM 693 O VAL A 48 -7.300 -3.217 7.567 1.00 0.00 O ATOM 694 CB VAL A 48 -8.858 -0.879 5.653 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.098 -0.011 5.501 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.705 -0.077 6.237 1.00 0.00 C ATOM 0 H VAL A 48 -8.754 -1.723 8.552 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.016 -2.639 6.114 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.564 -1.227 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.864 0.852 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.894 -0.592 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.426 0.330 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.505 0.787 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.968 0.262 7.239 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.815 -0.704 6.288 1.00 0.00 H new ATOM 706 N THR A 49 -7.638 -3.598 5.374 1.00 0.00 N ATOM 707 CA THR A 49 -6.502 -4.499 5.244 1.00 0.00 C ATOM 708 C THR A 49 -5.689 -4.182 3.994 1.00 0.00 C ATOM 709 O THR A 49 -6.223 -4.157 2.884 1.00 0.00 O ATOM 710 CB THR A 49 -6.955 -5.970 5.188 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.667 -6.309 6.383 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.761 -6.899 5.023 1.00 0.00 C ATOM 0 H THR A 49 -8.161 -3.451 4.511 1.00 0.00 H new ATOM 0 HA THR A 49 -5.879 -4.352 6.126 1.00 0.00 H new ATOM 0 HB THR A 49 -7.612 -6.092 4.327 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.953 -7.245 6.339 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.106 -7.932 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.238 -6.658 4.098 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.083 -6.773 5.867 1.00 0.00 H new ATOM 720 N LEU A 50 -4.397 -3.941 4.180 1.00 0.00 N ATOM 721 CA LEU A 50 -3.509 -3.626 3.065 1.00 0.00 C ATOM 722 C LEU A 50 -2.841 -4.888 2.527 1.00 0.00 C ATOM 723 O LEU A 50 -2.255 -5.662 3.282 1.00 0.00 O ATOM 724 CB LEU A 50 -2.444 -2.619 3.504 1.00 0.00 C ATOM 725 CG LEU A 50 -1.807 -1.787 2.391 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.819 -0.813 1.808 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.587 -1.044 2.913 1.00 0.00 C ATOM 0 H LEU A 50 -3.940 -3.957 5.092 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.109 -3.187 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.893 -1.938 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.653 -3.160 4.023 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.484 -2.461 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.348 -0.229 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.662 -1.368 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.173 -0.143 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.146 -0.457 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.885 -0.380 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.146 -1.762 3.282 1.00 0.00 H new ATOM 739 N VAL A 51 -2.934 -5.087 1.216 1.00 0.00 N ATOM 740 CA VAL A 51 -2.336 -6.252 0.575 1.00 0.00 C ATOM 741 C VAL A 51 -1.650 -5.870 -0.731 1.00 0.00 C ATOM 742 O VAL A 51 -1.795 -4.747 -1.216 1.00 0.00 O ATOM 743 CB VAL A 51 -3.390 -7.338 0.291 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.134 -7.708 1.564 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.359 -6.870 -0.786 1.00 0.00 C ATOM 0 H VAL A 51 -3.418 -4.456 0.577 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.594 -6.649 1.268 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.879 -8.229 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.874 -8.477 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.427 -8.087 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.635 -6.826 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.097 -7.649 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.865 -5.964 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.810 -6.661 -1.704 1.00 0.00 H new ATOM 755 N LEU A 52 -0.902 -6.811 -1.297 1.00 0.00 N ATOM 756 CA LEU A 52 -0.192 -6.573 -2.550 1.00 0.00 C ATOM 757 C LEU A 52 -1.136 -6.697 -3.742 1.00 0.00 C ATOM 758 O LEU A 52 -2.020 -7.552 -3.760 1.00 0.00 O ATOM 759 CB LEU A 52 0.967 -7.561 -2.697 1.00 0.00 C ATOM 760 CG LEU A 52 2.025 -7.525 -1.594 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.999 -8.681 -1.750 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.765 -6.196 -1.610 1.00 0.00 C ATOM 0 H LEU A 52 -0.771 -7.745 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 52 0.205 -5.558 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.555 -8.569 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.459 -7.373 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 52 1.523 -7.628 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.744 -8.638 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.457 -9.625 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.495 -8.610 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.514 -6.187 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.255 -6.064 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.057 -5.383 -1.448 1.00 0.00 H new ATOM 774 N GLU A 53 -0.939 -5.837 -4.737 1.00 0.00 N ATOM 775 CA GLU A 53 -1.773 -5.852 -5.933 1.00 0.00 C ATOM 776 C GLU A 53 -1.277 -6.896 -6.929 1.00 0.00 C ATOM 777 O GLU A 53 -1.570 -6.820 -8.122 1.00 0.00 O ATOM 778 CB GLU A 53 -1.785 -4.470 -6.591 1.00 0.00 C ATOM 779 CG GLU A 53 -2.902 -3.569 -6.095 1.00 0.00 C ATOM 780 CD GLU A 53 -4.170 -3.706 -6.916 1.00 0.00 C ATOM 781 OE1 GLU A 53 -4.064 -4.024 -8.119 1.00 0.00 O ATOM 782 OE2 GLU A 53 -5.266 -3.493 -6.357 1.00 0.00 O ATOM 0 H GLU A 53 -0.211 -5.123 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.788 -6.113 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.828 -3.982 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.880 -4.592 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.120 -3.807 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.566 -2.532 -6.122 1.00 0.00 H new ATOM 789 N GLU A 54 -0.523 -7.870 -6.429 1.00 0.00 N ATOM 790 CA GLU A 54 0.014 -8.930 -7.275 1.00 0.00 C ATOM 791 C GLU A 54 -0.595 -10.280 -6.910 1.00 0.00 C ATOM 792 O GLU A 54 -1.060 -11.019 -7.779 1.00 0.00 O ATOM 793 CB GLU A 54 1.538 -8.994 -7.144 1.00 0.00 C ATOM 794 CG GLU A 54 2.011 -9.675 -5.872 1.00 0.00 C ATOM 795 CD GLU A 54 3.516 -9.610 -5.699 1.00 0.00 C ATOM 796 OE1 GLU A 54 4.070 -8.492 -5.753 1.00 0.00 O ATOM 797 OE2 GLU A 54 4.140 -10.674 -5.511 1.00 0.00 O ATOM 0 H GLU A 54 -0.270 -7.947 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.246 -8.701 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.946 -9.525 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.940 -7.981 -7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.530 -9.206 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.695 -10.718 -5.884 1.00 0.00 H new ATOM 804 N ASP A 55 -0.590 -10.596 -5.620 1.00 0.00 N ATOM 805 CA ASP A 55 -1.142 -11.857 -5.138 1.00 0.00 C ATOM 806 C ASP A 55 -2.142 -11.617 -4.012 1.00 0.00 C ATOM 807 O ASP A 55 -2.831 -12.537 -3.573 1.00 0.00 O ATOM 808 CB ASP A 55 -0.020 -12.778 -4.654 1.00 0.00 C ATOM 809 CG ASP A 55 -0.426 -14.239 -4.666 1.00 0.00 C ATOM 810 OD1 ASP A 55 -1.616 -14.526 -4.426 1.00 0.00 O ATOM 811 OD2 ASP A 55 0.449 -15.094 -4.916 1.00 0.00 O ATOM 0 H ASP A 55 -0.209 -9.996 -4.888 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.663 -12.337 -5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.857 -12.642 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.270 -12.493 -3.643 1.00 0.00 H new ATOM 816 N GLY A 56 -2.217 -10.373 -3.548 1.00 0.00 N ATOM 817 CA GLY A 56 -3.135 -10.034 -2.477 1.00 0.00 C ATOM 818 C GLY A 56 -2.627 -10.473 -1.117 1.00 0.00 C ATOM 819 O GLY A 56 -3.412 -10.832 -0.239 1.00 0.00 O ATOM 0 H GLY A 56 -1.658 -9.594 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.298 -8.956 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.101 -10.501 -2.669 1.00 0.00 H new ATOM 823 N THR A 57 -1.309 -10.448 -0.943 1.00 0.00 N ATOM 824 CA THR A 57 -0.697 -10.849 0.317 1.00 0.00 C ATOM 825 C THR A 57 -0.804 -9.741 1.358 1.00 0.00 C ATOM 826 O THR A 57 -0.434 -8.595 1.101 1.00 0.00 O ATOM 827 CB THR A 57 0.786 -11.219 0.129 1.00 0.00 C ATOM 828 OG1 THR A 57 0.908 -12.291 -0.813 1.00 0.00 O ATOM 829 CG2 THR A 57 1.415 -11.625 1.452 1.00 0.00 C ATOM 0 H THR A 57 -0.645 -10.154 -1.659 1.00 0.00 H new ATOM 0 HA THR A 57 -1.241 -11.726 0.667 1.00 0.00 H new ATOM 0 HB THR A 57 1.311 -10.342 -0.250 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.854 -12.519 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.462 -11.882 1.293 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.347 -10.796 2.157 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.887 -12.489 1.856 1.00 0.00 H new ATOM 837 N VAL A 58 -1.314 -10.088 2.536 1.00 0.00 N ATOM 838 CA VAL A 58 -1.469 -9.123 3.617 1.00 0.00 C ATOM 839 C VAL A 58 -0.114 -8.683 4.159 1.00 0.00 C ATOM 840 O VAL A 58 0.610 -9.474 4.767 1.00 0.00 O ATOM 841 CB VAL A 58 -2.308 -9.702 4.771 1.00 0.00 C ATOM 842 CG1 VAL A 58 -2.363 -8.724 5.935 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.708 -10.049 4.289 1.00 0.00 C ATOM 0 H VAL A 58 -1.627 -11.031 2.765 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.987 -8.260 3.199 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.831 -10.618 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.960 -9.151 6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.353 -8.530 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.816 -7.789 5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.287 -10.457 5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.196 -9.150 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.645 -10.789 3.491 1.00 0.00 H new ATOM 853 N VAL A 59 0.225 -7.417 3.937 1.00 0.00 N ATOM 854 CA VAL A 59 1.493 -6.871 4.404 1.00 0.00 C ATOM 855 C VAL A 59 1.345 -6.242 5.785 1.00 0.00 C ATOM 856 O VAL A 59 0.997 -5.067 5.909 1.00 0.00 O ATOM 857 CB VAL A 59 2.044 -5.816 3.427 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.411 -5.328 3.883 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.113 -6.381 2.017 1.00 0.00 C ATOM 0 H VAL A 59 -0.362 -6.750 3.436 1.00 0.00 H new ATOM 0 HA VAL A 59 2.194 -7.703 4.461 1.00 0.00 H new ATOM 0 HB VAL A 59 1.365 -4.963 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.784 -4.583 3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.326 -4.882 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.103 -6.169 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.505 -5.622 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.769 -7.251 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.115 -6.675 1.694 1.00 0.00 H new ATOM 869 N ASP A 60 1.611 -7.030 6.820 1.00 0.00 N ATOM 870 CA ASP A 60 1.509 -6.550 8.193 1.00 0.00 C ATOM 871 C ASP A 60 2.883 -6.493 8.853 1.00 0.00 C ATOM 872 O ASP A 60 2.997 -6.491 10.079 1.00 0.00 O ATOM 873 CB ASP A 60 0.577 -7.452 9.004 1.00 0.00 C ATOM 874 CG ASP A 60 -0.120 -6.707 10.125 1.00 0.00 C ATOM 875 OD1 ASP A 60 0.489 -6.558 11.207 1.00 0.00 O ATOM 876 OD2 ASP A 60 -1.272 -6.272 9.921 1.00 0.00 O ATOM 0 H ASP A 60 1.899 -8.005 6.735 1.00 0.00 H new ATOM 0 HA ASP A 60 1.096 -5.542 8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.171 -7.887 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.150 -8.279 9.423 1.00 0.00 H new ATOM 881 N THR A 61 3.927 -6.449 8.031 1.00 0.00 N ATOM 882 CA THR A 61 5.294 -6.395 8.533 1.00 0.00 C ATOM 883 C THR A 61 6.091 -5.292 7.844 1.00 0.00 C ATOM 884 O THR A 61 5.898 -5.025 6.660 1.00 0.00 O ATOM 885 CB THR A 61 6.021 -7.739 8.333 1.00 0.00 C ATOM 886 OG1 THR A 61 5.684 -8.292 7.056 1.00 0.00 O ATOM 887 CG2 THR A 61 5.649 -8.724 9.432 1.00 0.00 C ATOM 0 H THR A 61 3.851 -6.450 7.014 1.00 0.00 H new ATOM 0 HA THR A 61 5.229 -6.181 9.600 1.00 0.00 H new ATOM 0 HB THR A 61 7.095 -7.557 8.378 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.151 -9.145 6.935 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.174 -9.665 9.270 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.932 -8.312 10.401 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.574 -8.901 9.414 1.00 0.00 H new ATOM 895 N GLU A 62 6.986 -4.658 8.595 1.00 0.00 N ATOM 896 CA GLU A 62 7.811 -3.584 8.054 1.00 0.00 C ATOM 897 C GLU A 62 8.967 -4.147 7.234 1.00 0.00 C ATOM 898 O GLU A 62 9.420 -3.525 6.273 1.00 0.00 O ATOM 899 CB GLU A 62 8.353 -2.709 9.187 1.00 0.00 C ATOM 900 CG GLU A 62 9.036 -1.441 8.701 1.00 0.00 C ATOM 901 CD GLU A 62 9.245 -0.430 9.812 1.00 0.00 C ATOM 902 OE1 GLU A 62 8.258 -0.078 10.490 1.00 0.00 O ATOM 903 OE2 GLU A 62 10.399 0.010 10.002 1.00 0.00 O ATOM 0 H GLU A 62 7.158 -4.869 9.578 1.00 0.00 H new ATOM 0 HA GLU A 62 7.188 -2.975 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.532 -2.438 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.061 -3.290 9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.000 -1.697 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.436 -0.989 7.911 1.00 0.00 H new ATOM 910 N GLU A 63 9.439 -5.329 7.619 1.00 0.00 N ATOM 911 CA GLU A 63 10.543 -5.975 6.920 1.00 0.00 C ATOM 912 C GLU A 63 10.143 -6.341 5.493 1.00 0.00 C ATOM 913 O GLU A 63 10.951 -6.253 4.568 1.00 0.00 O ATOM 914 CB GLU A 63 10.990 -7.229 7.674 1.00 0.00 C ATOM 915 CG GLU A 63 9.965 -8.350 7.650 1.00 0.00 C ATOM 916 CD GLU A 63 10.220 -9.396 8.718 1.00 0.00 C ATOM 917 OE1 GLU A 63 9.948 -9.112 9.904 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.692 -10.498 8.368 1.00 0.00 O ATOM 0 H GLU A 63 9.074 -5.858 8.411 1.00 0.00 H new ATOM 0 HA GLU A 63 11.374 -5.271 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.922 -7.591 7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.202 -6.964 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.969 -7.930 7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.976 -8.827 6.670 1.00 0.00 H new ATOM 925 N PHE A 64 8.891 -6.753 5.323 1.00 0.00 N ATOM 926 CA PHE A 64 8.384 -7.134 4.010 1.00 0.00 C ATOM 927 C PHE A 64 8.113 -5.902 3.152 1.00 0.00 C ATOM 928 O PHE A 64 8.184 -5.958 1.925 1.00 0.00 O ATOM 929 CB PHE A 64 7.103 -7.959 4.155 1.00 0.00 C ATOM 930 CG PHE A 64 6.631 -8.566 2.865 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.533 -9.154 1.991 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.288 -8.550 2.526 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.102 -9.714 0.803 1.00 0.00 C ATOM 934 CE2 PHE A 64 4.853 -9.108 1.339 1.00 0.00 C ATOM 935 CZ PHE A 64 5.760 -9.691 0.476 1.00 0.00 C ATOM 0 H PHE A 64 8.209 -6.832 6.078 1.00 0.00 H new ATOM 0 HA PHE A 64 9.145 -7.738 3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.273 -8.754 4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.315 -7.323 4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.583 -9.175 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.573 -8.097 3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.814 -10.169 0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.803 -9.088 1.086 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.421 -10.128 -0.452 1.00 0.00 H new ATOM 945 N PHE A 65 7.803 -4.788 3.808 1.00 0.00 N ATOM 946 CA PHE A 65 7.520 -3.541 3.106 1.00 0.00 C ATOM 947 C PHE A 65 8.813 -2.827 2.725 1.00 0.00 C ATOM 948 O PHE A 65 8.880 -2.150 1.699 1.00 0.00 O ATOM 949 CB PHE A 65 6.657 -2.626 3.977 1.00 0.00 C ATOM 950 CG PHE A 65 6.762 -1.174 3.609 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.911 -0.454 3.897 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.714 -0.528 2.973 1.00 0.00 C ATOM 953 CE1 PHE A 65 8.011 0.882 3.560 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.808 0.808 2.633 1.00 0.00 C ATOM 955 CZ PHE A 65 6.958 1.513 2.926 1.00 0.00 C ATOM 0 H PHE A 65 7.741 -4.723 4.824 1.00 0.00 H new ATOM 0 HA PHE A 65 6.975 -3.782 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.616 -2.938 3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.948 -2.750 5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.738 -0.943 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.813 -1.075 2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.911 1.432 3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.983 1.300 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.035 2.557 2.660 1.00 0.00 H new ATOM 965 N GLN A 66 9.837 -2.984 3.557 1.00 0.00 N ATOM 966 CA GLN A 66 11.127 -2.353 3.307 1.00 0.00 C ATOM 967 C GLN A 66 11.803 -2.962 2.082 1.00 0.00 C ATOM 968 O GLN A 66 12.730 -2.381 1.518 1.00 0.00 O ATOM 969 CB GLN A 66 12.036 -2.499 4.529 1.00 0.00 C ATOM 970 CG GLN A 66 11.623 -1.622 5.701 1.00 0.00 C ATOM 971 CD GLN A 66 12.047 -0.177 5.524 1.00 0.00 C ATOM 972 OE1 GLN A 66 13.218 0.113 5.278 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.094 0.739 5.651 1.00 0.00 N ATOM 0 H GLN A 66 9.798 -3.542 4.410 1.00 0.00 H new ATOM 0 HA GLN A 66 10.953 -1.294 3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.038 -3.541 4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.058 -2.252 4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.541 -1.667 5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.062 -2.016 6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.136 0.454 5.855 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.320 1.728 5.544 1.00 0.00 H new ATOM 982 N THR A 67 11.332 -4.137 1.675 1.00 0.00 N ATOM 983 CA THR A 67 11.892 -4.826 0.519 1.00 0.00 C ATOM 984 C THR A 67 11.179 -4.411 -0.764 1.00 0.00 C ATOM 985 O THR A 67 11.779 -4.390 -1.840 1.00 0.00 O ATOM 986 CB THR A 67 11.795 -6.355 0.675 1.00 0.00 C ATOM 987 OG1 THR A 67 10.424 -6.753 0.768 1.00 0.00 O ATOM 988 CG2 THR A 67 12.549 -6.821 1.912 1.00 0.00 C ATOM 0 H THR A 67 10.564 -4.631 2.129 1.00 0.00 H new ATOM 0 HA THR A 67 12.942 -4.541 0.458 1.00 0.00 H new ATOM 0 HB THR A 67 12.247 -6.817 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.008 -6.317 1.541 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.467 -7.904 2.002 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.599 -6.543 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.122 -6.350 2.797 1.00 0.00 H new ATOM 996 N LEU A 68 9.899 -4.082 -0.645 1.00 0.00 N ATOM 997 CA LEU A 68 9.104 -3.668 -1.796 1.00 0.00 C ATOM 998 C LEU A 68 9.756 -2.487 -2.510 1.00 0.00 C ATOM 999 O LEU A 68 10.182 -1.523 -1.876 1.00 0.00 O ATOM 1000 CB LEU A 68 7.688 -3.293 -1.355 1.00 0.00 C ATOM 1001 CG LEU A 68 6.908 -4.378 -0.611 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.495 -3.904 -0.306 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.879 -5.665 -1.421 1.00 0.00 C ATOM 0 H LEU A 68 9.388 -4.094 0.238 1.00 0.00 H new ATOM 0 HA LEU A 68 9.051 -4.506 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.749 -2.413 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.118 -3.005 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 68 7.413 -4.580 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.954 -4.689 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.537 -3.010 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.979 -3.674 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.320 -6.425 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.398 -5.480 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.898 -6.014 -1.587 1.00 0.00 H new ATOM 1015 N GLY A 69 9.826 -2.569 -3.835 1.00 0.00 N ATOM 1016 CA GLY A 69 10.425 -1.501 -4.614 1.00 0.00 C ATOM 1017 C GLY A 69 9.532 -0.280 -4.705 1.00 0.00 C ATOM 1018 O GLY A 69 8.518 -0.191 -4.012 1.00 0.00 O ATOM 0 H GLY A 69 9.479 -3.356 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.377 -1.218 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.641 -1.865 -5.618 1.00 0.00 H new ATOM 1022 N ASP A 70 9.909 0.665 -5.560 1.00 0.00 N ATOM 1023 CA ASP A 70 9.134 1.887 -5.739 1.00 0.00 C ATOM 1024 C ASP A 70 7.971 1.658 -6.699 1.00 0.00 C ATOM 1025 O ASP A 70 7.994 0.732 -7.507 1.00 0.00 O ATOM 1026 CB ASP A 70 10.030 3.011 -6.262 1.00 0.00 C ATOM 1027 CG ASP A 70 11.077 2.510 -7.237 1.00 0.00 C ATOM 1028 OD1 ASP A 70 11.995 1.784 -6.802 1.00 0.00 O ATOM 1029 OD2 ASP A 70 10.979 2.844 -8.436 1.00 0.00 O ATOM 0 H ASP A 70 10.746 0.608 -6.140 1.00 0.00 H new ATOM 0 HA ASP A 70 8.729 2.177 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.414 3.765 -6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.524 3.499 -5.422 1.00 0.00 H new ATOM 1034 N ASN A 71 6.954 2.509 -6.601 1.00 0.00 N ATOM 1035 CA ASN A 71 5.780 2.399 -7.460 1.00 0.00 C ATOM 1036 C ASN A 71 5.100 1.045 -7.279 1.00 0.00 C ATOM 1037 O ASN A 71 4.587 0.463 -8.235 1.00 0.00 O ATOM 1038 CB ASN A 71 6.174 2.593 -8.925 1.00 0.00 C ATOM 1039 CG ASN A 71 7.251 3.647 -9.100 1.00 0.00 C ATOM 1040 OD1 ASN A 71 8.272 3.408 -9.744 1.00 0.00 O ATOM 1041 ND2 ASN A 71 7.025 4.823 -8.524 1.00 0.00 N ATOM 0 H ASN A 71 6.919 3.282 -5.936 1.00 0.00 H new ATOM 0 HA ASN A 71 5.076 3.181 -7.174 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.527 1.646 -9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.293 2.878 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.713 5.572 -8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.164 4.977 -7.999 1.00 0.00 H new ATOM 1048 N THR A 72 5.100 0.548 -6.046 1.00 0.00 N ATOM 1049 CA THR A 72 4.484 -0.737 -5.739 1.00 0.00 C ATOM 1050 C THR A 72 2.969 -0.606 -5.621 1.00 0.00 C ATOM 1051 O THR A 72 2.466 0.205 -4.843 1.00 0.00 O ATOM 1052 CB THR A 72 5.041 -1.329 -4.431 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.465 -1.453 -4.517 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.425 -2.691 -4.148 1.00 0.00 C ATOM 0 H THR A 72 5.520 1.016 -5.243 1.00 0.00 H new ATOM 0 HA THR A 72 4.725 -1.408 -6.563 1.00 0.00 H new ATOM 0 HB THR A 72 4.784 -0.655 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.881 -0.587 -4.325 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.834 -3.089 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.344 -2.589 -4.054 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.656 -3.372 -4.967 1.00 0.00 H new ATOM 1062 N HIS A 73 2.248 -1.410 -6.395 1.00 0.00 N ATOM 1063 CA HIS A 73 0.790 -1.385 -6.375 1.00 0.00 C ATOM 1064 C HIS A 73 0.250 -2.152 -5.172 1.00 0.00 C ATOM 1065 O HIS A 73 0.682 -3.270 -4.891 1.00 0.00 O ATOM 1066 CB HIS A 73 0.231 -1.981 -7.668 1.00 0.00 C ATOM 1067 CG HIS A 73 0.235 -1.022 -8.819 1.00 0.00 C ATOM 1068 ND1 HIS A 73 1.035 -1.183 -9.930 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.473 0.113 -9.027 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.821 -0.188 -10.772 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.091 0.612 -10.248 1.00 0.00 N ATOM 0 H HIS A 73 2.649 -2.087 -7.044 1.00 0.00 H new ATOM 0 HA HIS A 73 0.470 -0.346 -6.295 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.816 -2.860 -7.936 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.790 -2.320 -7.491 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.202 0.545 -8.358 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.308 -0.052 -11.726 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.453 1.462 -10.680 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.697 -1.545 -4.465 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.294 -2.170 -3.291 1.00 0.00 C ATOM 1082 C PHE A 74 -2.816 -2.199 -3.406 1.00 0.00 C ATOM 1083 O PHE A 74 -3.400 -1.495 -4.229 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.881 -1.421 -2.023 1.00 0.00 C ATOM 1085 CG PHE A 74 0.588 -1.508 -1.727 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.166 -2.716 -1.369 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.392 -0.382 -1.807 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.518 -2.797 -1.095 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.745 -0.458 -1.536 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.309 -1.667 -1.180 1.00 0.00 C ATOM 0 H PHE A 74 -1.068 -0.620 -4.685 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.932 -3.196 -3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.162 -0.373 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.438 -1.822 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.553 -3.603 -1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.956 0.566 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.956 -3.743 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.360 0.427 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.366 -1.729 -0.968 1.00 0.00 H new ATOM 1100 N MET A 75 -3.450 -3.020 -2.575 1.00 0.00 N ATOM 1101 CA MET A 75 -4.903 -3.141 -2.583 1.00 0.00 C ATOM 1102 C MET A 75 -5.468 -3.006 -1.172 1.00 0.00 C ATOM 1103 O MET A 75 -5.029 -3.693 -0.250 1.00 0.00 O ATOM 1104 CB MET A 75 -5.322 -4.484 -3.186 1.00 0.00 C ATOM 1105 CG MET A 75 -6.783 -4.828 -2.946 1.00 0.00 C ATOM 1106 SD MET A 75 -7.370 -6.152 -4.021 1.00 0.00 S ATOM 1107 CE MET A 75 -7.863 -5.218 -5.468 1.00 0.00 C ATOM 0 H MET A 75 -2.981 -3.611 -1.888 1.00 0.00 H new ATOM 0 HA MET A 75 -5.306 -2.334 -3.196 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.133 -4.466 -4.259 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.698 -5.272 -2.766 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.916 -5.124 -1.905 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.393 -3.939 -3.105 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.729 -5.692 -5.929 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.120 -4.200 -5.174 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.040 -5.192 -6.182 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.442 -2.117 -1.012 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.065 -1.892 0.286 1.00 0.00 C ATOM 1119 C ILE A 76 -8.434 -2.560 0.361 1.00 0.00 C ATOM 1120 O ILE A 76 -9.317 -2.284 -0.452 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.223 -0.389 0.583 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.535 -0.170 2.065 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.315 0.211 -0.289 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.302 0.003 2.924 1.00 0.00 C ATOM 0 H ILE A 76 -6.817 -1.541 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.405 -2.334 1.033 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.284 0.113 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.166 0.713 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.110 -1.018 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.415 1.274 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.054 0.082 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.260 -0.292 -0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.600 0.154 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.680 -0.889 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.737 0.869 2.579 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.604 -3.439 1.342 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.867 -4.146 1.525 1.00 0.00 C ATOM 1138 C LEU A 77 -10.548 -3.718 2.821 1.00 0.00 C ATOM 1139 O LEU A 77 -9.929 -3.707 3.884 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.632 -5.657 1.535 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.845 -6.223 0.352 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.520 -7.691 0.579 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.627 -6.042 -0.942 1.00 0.00 C ATOM 0 H LEU A 77 -7.884 -3.679 2.023 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.521 -3.892 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.105 -5.916 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.601 -6.155 1.572 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.907 -5.674 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.960 -8.076 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.921 -7.795 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.446 -8.256 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.053 -6.450 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.580 -6.565 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.808 -4.981 -1.112 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.826 -3.366 2.724 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.592 -2.939 3.889 1.00 0.00 C ATOM 1157 C GLU A 78 -12.961 -4.132 4.766 1.00 0.00 C ATOM 1158 O GLU A 78 -12.712 -5.283 4.405 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.859 -2.201 3.453 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.586 -0.975 2.599 1.00 0.00 C ATOM 1161 CD GLU A 78 -14.762 -0.604 1.716 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -15.415 -1.524 1.180 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -15.030 0.606 1.563 1.00 0.00 O ATOM 0 H GLU A 78 -12.353 -3.368 1.851 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.968 -2.261 4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.495 -2.888 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.417 -1.899 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.343 -0.133 3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.712 -1.159 1.975 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.555 -3.849 5.920 1.00 0.00 N ATOM 1171 CA LYS A 79 -13.959 -4.897 6.850 1.00 0.00 C ATOM 1172 C LYS A 79 -15.023 -5.796 6.227 1.00 0.00 C ATOM 1173 O LYS A 79 -16.215 -5.503 6.297 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.493 -4.279 8.145 1.00 0.00 C ATOM 1175 CG LYS A 79 -14.567 -5.261 9.301 1.00 0.00 C ATOM 1176 CD LYS A 79 -15.915 -5.962 9.353 1.00 0.00 C ATOM 1177 CE LYS A 79 -16.080 -6.758 10.639 1.00 0.00 C ATOM 1178 NZ LYS A 79 -17.432 -7.374 10.740 1.00 0.00 N ATOM 0 H LYS A 79 -13.768 -2.902 6.234 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.083 -5.504 7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.854 -3.443 8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.487 -3.872 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.774 -6.002 9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.394 -4.734 10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.713 -5.224 9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.013 -6.629 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.321 -7.539 10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.914 -6.104 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -17.505 -7.908 11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -18.156 -6.627 10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.581 -8.018 9.937 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.581 -6.894 5.619 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.508 -7.819 4.994 1.00 0.00 C ATOM 1194 C GLY A 80 -15.267 -7.964 3.505 1.00 0.00 C ATOM 1195 O GLY A 80 -16.198 -8.214 2.741 1.00 0.00 O ATOM 0 H GLY A 80 -13.598 -7.158 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.419 -8.795 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.529 -7.475 5.162 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.012 -7.805 3.092 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.653 -7.918 1.683 1.00 0.00 C ATOM 1201 C GLN A 81 -12.364 -8.714 1.513 1.00 0.00 C ATOM 1202 O GLN A 81 -11.545 -8.795 2.428 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.494 -6.528 1.063 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.768 -5.700 1.094 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.839 -4.697 -0.041 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.860 -4.581 -0.721 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -13.752 -3.964 -0.252 1.00 0.00 N ATOM 0 H GLN A 81 -13.229 -7.598 3.712 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.456 -8.447 1.170 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.708 -5.990 1.593 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.165 -6.636 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.630 -6.365 1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.831 -5.172 2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.928 -4.093 0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.741 -3.272 -1.001 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.189 -9.302 0.334 1.00 0.00 N ATOM 1217 CA LYS A 82 -10.998 -10.091 0.041 1.00 0.00 C ATOM 1218 C LYS A 82 -10.373 -9.664 -1.282 1.00 0.00 C ATOM 1219 O LYS A 82 -11.002 -8.968 -2.080 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.348 -11.581 -0.005 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.560 -11.894 -0.865 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.172 -12.115 -2.318 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.171 -13.011 -3.033 1.00 0.00 C ATOM 1224 NZ LYS A 82 -12.801 -14.449 -2.926 1.00 0.00 N ATOM 0 H LYS A 82 -12.857 -9.247 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.273 -9.918 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.490 -12.136 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.532 -11.934 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.059 -12.784 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.275 -11.074 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.112 -11.154 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.180 -12.564 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.164 -12.859 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.226 -12.727 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.506 -15.027 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.865 -14.599 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.773 -14.727 -1.924 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.135 -10.086 -1.510 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.426 -9.746 -2.739 1.00 0.00 C ATOM 1240 C TRP A 83 -8.770 -10.727 -3.855 1.00 0.00 C ATOM 1241 O TRP A 83 -9.043 -11.900 -3.600 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.915 -9.742 -2.496 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.111 -9.843 -3.757 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.421 -8.837 -4.372 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.915 -11.014 -4.557 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.808 -9.313 -5.505 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -5.095 -10.646 -5.641 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.350 -12.339 -4.462 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.704 -11.555 -6.621 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.962 -13.239 -5.435 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.145 -12.844 -6.502 1.00 0.00 C ATOM 0 H TRP A 83 -8.601 -10.664 -0.861 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.741 -8.749 -3.047 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.641 -8.827 -1.971 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.657 -10.574 -1.841 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.366 -7.818 -4.019 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.232 -8.763 -6.142 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.979 -12.653 -3.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -4.075 -11.253 -7.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.294 -14.265 -5.372 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.857 -13.572 -7.246 1.00 0.00 H new