USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 660 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 6 HIS : no HD1:sc= -4.73! C(o=-7.6!,f=-15!) USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= -2.83! USER MOD Set 1.3: A 96 SER OG : rot 103:sc= 0 USER MOD Set 1.4: A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= 1.18 (180deg=0.928) USER MOD Single : A 11 THR OG1 : rot 61:sc= 0.0851 USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.112) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.491 F(o=-4.6!,f=-0.49) USER MOD Single : A 27 THR OG1 : rot 79:sc= 0.287 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 147:sc= -0.0575 (180deg=-2.41!) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= 0.46 (180deg=-0.106) USER MOD Single : A 42 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.2!) USER MOD Single : A 43 THR OG1 : rot 155:sc= -0.916! USER MOD Single : A 47 ASN : amide:sc= -8.5! C(o=-8.5!,f=-21!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.664 F(o=-4.2!,f=-0.66) USER MOD Single : A 49 ASN : amide:sc= 0.166 X(o=0.17,f=-0.043) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.46 F(o=-5.3!,f=-1.5) USER MOD Single : A 62 THR OG1 : rot -88:sc= 0.206 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 67 ASN : amide:sc= 0.762 K(o=0.76,f=-5.7!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.123 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.28! C(o=-3.3!,f=-5!) USER MOD Single : A 74 SER OG : rot 119:sc= 0.0917 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -131:sc= -0.237 (180deg=-0.675) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -164:sc= -0.0566 (180deg=-0.295) USER MOD Single : A 85 THR OG1 : rot 23:sc= -1.67! USER MOD Single : A 87 ASN :FLIP amide:sc= -3.7! C(o=-7!,f=-3.7!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0349 USER MOD Single : A 99 SER OG : rot -78:sc=-0.00754 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.352 -6.765 2.020 1.00 0.00 N ATOM 27 CA ASP A 3 14.073 -6.946 2.669 1.00 0.00 C ATOM 28 C ASP A 3 13.362 -5.605 2.833 1.00 0.00 C ATOM 29 O ASP A 3 13.923 -4.652 3.366 1.00 0.00 O ATOM 30 CB ASP A 3 14.235 -7.694 4.005 1.00 0.00 C ATOM 31 CG ASP A 3 15.319 -7.144 4.909 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.509 -7.228 4.545 1.00 0.00 O ATOM 33 OD2 ASP A 3 14.990 -6.661 6.009 1.00 0.00 O ATOM 0 HA ASP A 3 13.442 -7.569 2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.286 -7.666 4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.452 -8.742 3.796 1.00 0.00 H new ATOM 38 N PRO A 4 12.126 -5.540 2.292 1.00 0.00 N ATOM 39 CA PRO A 4 11.276 -4.333 2.169 1.00 0.00 C ATOM 40 C PRO A 4 11.218 -3.328 3.344 1.00 0.00 C ATOM 41 O PRO A 4 10.545 -2.314 3.215 1.00 0.00 O ATOM 42 CB PRO A 4 9.875 -4.898 1.935 1.00 0.00 C ATOM 43 CG PRO A 4 10.014 -6.379 1.801 1.00 0.00 C ATOM 44 CD PRO A 4 11.467 -6.682 1.644 1.00 0.00 C ATOM 0 HA PRO A 4 11.711 -3.720 1.380 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.215 -4.647 2.765 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.433 -4.470 1.035 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.610 -6.883 2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.452 -6.740 0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.735 -7.624 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.749 -6.766 0.594 1.00 0.00 H new ATOM 52 N LYS A 5 11.886 -3.581 4.459 1.00 0.00 N ATOM 53 CA LYS A 5 11.836 -2.684 5.637 1.00 0.00 C ATOM 54 C LYS A 5 12.447 -1.278 5.401 1.00 0.00 C ATOM 55 O LYS A 5 12.760 -0.581 6.362 1.00 0.00 O ATOM 56 CB LYS A 5 12.509 -3.350 6.843 1.00 0.00 C ATOM 57 CG LYS A 5 13.863 -3.974 6.538 1.00 0.00 C ATOM 58 CD LYS A 5 14.964 -2.940 6.370 1.00 0.00 C ATOM 59 CE LYS A 5 16.258 -3.586 5.904 1.00 0.00 C ATOM 60 NZ LYS A 5 16.677 -4.696 6.800 1.00 0.00 N ATOM 0 H LYS A 5 12.477 -4.402 4.587 1.00 0.00 H new ATOM 0 HA LYS A 5 10.776 -2.521 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.633 -2.607 7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.846 -4.122 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.133 -4.657 7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.787 -4.568 5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.651 -2.185 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.131 -2.426 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.130 -3.966 4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 5 17.046 -2.834 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.653 -4.975 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.628 -4.381 7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.044 -5.510 6.664 1.00 0.00 H new ATOM 74 N HIS A 6 12.632 -0.885 4.137 1.00 0.00 N ATOM 75 CA HIS A 6 13.310 0.380 3.771 1.00 0.00 C ATOM 76 C HIS A 6 12.740 1.611 4.490 1.00 0.00 C ATOM 77 O HIS A 6 13.418 2.634 4.577 1.00 0.00 O ATOM 78 CB HIS A 6 13.177 0.678 2.272 1.00 0.00 C ATOM 79 CG HIS A 6 13.402 -0.470 1.342 1.00 0.00 C ATOM 80 ND1 HIS A 6 12.435 -1.405 1.053 1.00 0.00 N ATOM 81 CD2 HIS A 6 14.467 -0.793 0.589 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.900 -2.254 0.161 1.00 0.00 C ATOM 83 NE2 HIS A 6 14.134 -1.908 -0.138 1.00 0.00 N ATOM 0 H HIS A 6 12.319 -1.429 3.333 1.00 0.00 H new ATOM 0 HA HIS A 6 14.347 0.219 4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 6 12.178 1.074 2.090 1.00 0.00 H new ATOM 0 HB3 HIS A 6 13.884 1.467 2.017 1.00 0.00 H new ATOM 0 HD2 HIS A 6 15.412 -0.271 0.561 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.360 -3.092 -0.255 1.00 0.00 H new ATOM 0 HE2 HIS A 6 14.742 -2.389 -0.801 1.00 0.00 H new ATOM 92 N VAL A 7 11.488 1.501 4.961 1.00 0.00 N ATOM 93 CA VAL A 7 10.700 2.624 5.490 1.00 0.00 C ATOM 94 C VAL A 7 10.710 3.819 4.528 1.00 0.00 C ATOM 95 O VAL A 7 10.943 3.651 3.330 1.00 0.00 O ATOM 96 CB VAL A 7 11.096 3.032 6.941 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.995 1.826 7.860 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.480 3.653 7.039 1.00 0.00 C ATOM 0 H VAL A 7 10.987 0.613 4.985 1.00 0.00 H new ATOM 0 HA VAL A 7 9.673 2.267 5.562 1.00 0.00 H new ATOM 0 HB VAL A 7 10.392 3.804 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.273 2.116 8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.971 1.451 7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.668 1.044 7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.690 3.913 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.225 2.940 6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.519 4.553 6.425 1.00 0.00 H new ATOM 108 N CYS A 8 10.401 5.009 5.019 1.00 0.00 N ATOM 109 CA CYS A 8 10.175 6.142 4.126 1.00 0.00 C ATOM 110 C CYS A 8 10.426 7.484 4.770 1.00 0.00 C ATOM 111 O CYS A 8 10.305 7.654 5.983 1.00 0.00 O ATOM 112 CB CYS A 8 8.729 6.125 3.655 1.00 0.00 C ATOM 113 SG CYS A 8 8.251 7.539 2.605 1.00 0.00 S ATOM 0 H CYS A 8 10.301 5.217 6.013 1.00 0.00 H new ATOM 0 HA CYS A 8 10.884 6.027 3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.553 5.203 3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.077 6.102 4.528 1.00 0.00 H new ATOM 118 N VAL A 9 10.779 8.420 3.908 1.00 0.00 N ATOM 119 CA VAL A 9 10.701 9.833 4.181 1.00 0.00 C ATOM 120 C VAL A 9 10.361 10.505 2.856 1.00 0.00 C ATOM 121 O VAL A 9 11.222 10.709 2.006 1.00 0.00 O ATOM 122 CB VAL A 9 12.060 10.344 4.695 1.00 0.00 C ATOM 123 CG1 VAL A 9 12.254 10.007 6.160 1.00 0.00 C ATOM 124 CG2 VAL A 9 13.172 9.706 3.883 1.00 0.00 C ATOM 0 H VAL A 9 11.136 8.207 2.977 1.00 0.00 H new ATOM 0 HA VAL A 9 9.952 10.051 4.942 1.00 0.00 H new ATOM 0 HB VAL A 9 12.084 11.428 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 9 13.222 10.380 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.463 10.472 6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.217 8.926 6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 9 14.137 10.064 4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 9 13.125 8.622 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.055 9.973 2.833 1.00 0.00 H new ATOM 134 N ASP A 10 9.101 10.826 2.678 1.00 0.00 N ATOM 135 CA ASP A 10 8.627 11.324 1.401 1.00 0.00 C ATOM 136 C ASP A 10 7.799 12.595 1.558 1.00 0.00 C ATOM 137 O ASP A 10 7.483 12.985 2.679 1.00 0.00 O ATOM 138 CB ASP A 10 7.845 10.207 0.698 1.00 0.00 C ATOM 139 CG ASP A 10 7.143 10.643 -0.576 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.810 11.204 -1.471 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.916 10.443 -0.681 1.00 0.00 O ATOM 0 H ASP A 10 8.383 10.753 3.399 1.00 0.00 H new ATOM 0 HA ASP A 10 9.480 11.604 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.530 9.393 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.103 9.808 1.390 1.00 0.00 H new ATOM 146 N THR A 11 7.540 13.246 0.425 1.00 0.00 N ATOM 147 CA THR A 11 6.441 14.190 0.226 1.00 0.00 C ATOM 148 C THR A 11 5.982 14.989 1.454 1.00 0.00 C ATOM 149 O THR A 11 5.414 14.466 2.417 1.00 0.00 O ATOM 150 CB THR A 11 5.257 13.408 -0.369 1.00 0.00 C ATOM 151 OG1 THR A 11 5.447 13.221 -1.777 1.00 0.00 O ATOM 152 CG2 THR A 11 3.925 14.076 -0.096 1.00 0.00 C ATOM 0 H THR A 11 8.111 13.126 -0.411 1.00 0.00 H new ATOM 0 HA THR A 11 6.826 14.960 -0.442 1.00 0.00 H new ATOM 0 HB THR A 11 5.230 12.436 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.268 12.708 -1.931 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.124 13.483 -0.537 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.770 14.152 0.980 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.922 15.074 -0.534 1.00 0.00 H new ATOM 160 N ARG A 12 6.298 16.283 1.356 1.00 0.00 N ATOM 161 CA ARG A 12 5.707 17.375 2.138 1.00 0.00 C ATOM 162 C ARG A 12 4.522 16.946 2.997 1.00 0.00 C ATOM 163 O ARG A 12 4.590 16.969 4.225 1.00 0.00 O ATOM 164 CB ARG A 12 5.217 18.501 1.227 1.00 0.00 C ATOM 165 CG ARG A 12 6.202 18.987 0.179 1.00 0.00 C ATOM 166 CD ARG A 12 6.232 18.079 -1.036 1.00 0.00 C ATOM 167 NE ARG A 12 4.898 17.779 -1.558 1.00 0.00 N ATOM 168 CZ ARG A 12 4.634 16.763 -2.381 1.00 0.00 C ATOM 169 NH1 ARG A 12 5.622 16.006 -2.847 1.00 0.00 N ATOM 170 NH2 ARG A 12 3.383 16.507 -2.750 1.00 0.00 N ATOM 0 H ARG A 12 7.005 16.614 0.700 1.00 0.00 H new ATOM 0 HA ARG A 12 6.511 17.710 2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.314 18.163 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.933 19.349 1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.934 19.997 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.199 19.041 0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.826 18.549 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.732 17.147 -0.774 1.00 0.00 H new ATOM 0 HE ARG A 12 4.125 18.382 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.586 16.201 -2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.417 15.230 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.620 17.089 -2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.186 15.729 -3.380 1.00 0.00 H new ATOM 184 N ASP A 13 3.429 16.590 2.329 1.00 0.00 N ATOM 185 CA ASP A 13 2.188 16.208 2.989 1.00 0.00 C ATOM 186 C ASP A 13 1.619 14.951 2.354 1.00 0.00 C ATOM 187 O ASP A 13 1.020 14.998 1.280 1.00 0.00 O ATOM 188 CB ASP A 13 1.175 17.357 2.897 1.00 0.00 C ATOM 189 CG ASP A 13 -0.239 16.955 3.286 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.481 16.666 4.477 1.00 0.00 O ATOM 191 OD2 ASP A 13 -1.123 16.941 2.398 1.00 0.00 O ATOM 0 H ASP A 13 3.380 16.559 1.311 1.00 0.00 H new ATOM 0 HA ASP A 13 2.394 16.001 4.039 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.503 18.172 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.167 17.742 1.877 1.00 0.00 H new ATOM 196 N ILE A 14 1.847 13.824 3.000 1.00 0.00 N ATOM 197 CA ILE A 14 1.281 12.568 2.552 1.00 0.00 C ATOM 198 C ILE A 14 -0.092 12.400 3.159 1.00 0.00 C ATOM 199 O ILE A 14 -0.293 12.668 4.345 1.00 0.00 O ATOM 200 CB ILE A 14 2.185 11.373 2.920 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.508 11.514 2.183 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.522 10.045 2.570 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.706 11.192 3.026 1.00 0.00 C ATOM 0 H ILE A 14 2.422 13.753 3.839 1.00 0.00 H new ATOM 0 HA ILE A 14 1.204 12.589 1.465 1.00 0.00 H new ATOM 0 HB ILE A 14 2.355 11.377 3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.500 10.858 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.600 12.535 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.186 9.224 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.585 9.951 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.321 10.010 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.612 11.315 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.739 11.865 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.638 10.162 3.376 1.00 0.00 H new ATOM 215 N PRO A 15 -1.052 11.970 2.340 1.00 0.00 N ATOM 216 CA PRO A 15 -2.460 11.868 2.724 1.00 0.00 C ATOM 217 C PRO A 15 -2.665 11.065 4.005 1.00 0.00 C ATOM 218 O PRO A 15 -1.925 10.128 4.301 1.00 0.00 O ATOM 219 CB PRO A 15 -3.068 11.155 1.517 1.00 0.00 C ATOM 220 CG PRO A 15 -2.211 11.594 0.391 1.00 0.00 C ATOM 221 CD PRO A 15 -0.841 11.511 0.955 1.00 0.00 C ATOM 0 HA PRO A 15 -2.911 12.835 2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.048 10.072 1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.109 11.440 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.328 10.948 -0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.454 12.607 0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.445 10.496 0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.139 12.147 0.417 1.00 0.00 H new ATOM 229 N LYS A 16 -3.679 11.460 4.763 1.00 0.00 N ATOM 230 CA LYS A 16 -3.990 10.856 6.042 1.00 0.00 C ATOM 231 C LYS A 16 -4.459 9.426 5.882 1.00 0.00 C ATOM 232 O LYS A 16 -4.260 8.588 6.755 1.00 0.00 O ATOM 233 CB LYS A 16 -5.069 11.685 6.706 1.00 0.00 C ATOM 234 CG LYS A 16 -5.419 11.247 8.107 1.00 0.00 C ATOM 235 CD LYS A 16 -6.686 11.929 8.571 1.00 0.00 C ATOM 236 CE LYS A 16 -7.030 11.572 10.008 1.00 0.00 C ATOM 237 NZ LYS A 16 -6.044 12.132 10.970 1.00 0.00 N ATOM 0 H LYS A 16 -4.312 12.216 4.501 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.089 10.834 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.745 12.725 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.968 11.648 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.550 10.165 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.600 11.487 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.569 13.009 8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.511 11.644 7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.025 11.948 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.065 10.488 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.408 12.029 11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.143 11.619 10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.891 13.140 10.763 1.00 0.00 H new ATOM 251 N ASN A 17 -5.091 9.158 4.761 1.00 0.00 N ATOM 252 CA ASN A 17 -5.561 7.820 4.461 1.00 0.00 C ATOM 253 C ASN A 17 -4.524 7.141 3.593 1.00 0.00 C ATOM 254 O ASN A 17 -4.822 6.254 2.794 1.00 0.00 O ATOM 255 CB ASN A 17 -6.918 7.868 3.749 1.00 0.00 C ATOM 256 CG ASN A 17 -8.024 8.471 4.596 1.00 0.00 C ATOM 257 OD1 ASN A 17 -7.664 9.392 5.475 1.00 0.00 O flip ATOM 258 ND2 ASN A 17 -9.192 8.107 4.462 1.00 0.00 N flip ATOM 0 H ASN A 17 -5.293 9.850 4.039 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.699 7.258 5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.818 8.447 2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.203 6.857 3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.428 7.394 3.772 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.924 8.519 5.041 1.00 0.00 H new ATOM 265 N ALA A 18 -3.291 7.584 3.756 1.00 0.00 N ATOM 266 CA ALA A 18 -2.207 7.136 2.920 1.00 0.00 C ATOM 267 C ALA A 18 -0.965 6.897 3.736 1.00 0.00 C ATOM 268 O ALA A 18 -0.903 7.223 4.922 1.00 0.00 O ATOM 269 CB ALA A 18 -1.904 8.160 1.844 1.00 0.00 C ATOM 0 H ALA A 18 -3.020 8.261 4.469 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.515 6.200 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.082 7.803 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.788 8.310 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.623 9.105 2.310 1.00 0.00 H new ATOM 275 N GLY A 19 0.002 6.310 3.086 1.00 0.00 N ATOM 276 CA GLY A 19 1.302 6.129 3.676 1.00 0.00 C ATOM 277 C GLY A 19 2.375 6.199 2.628 1.00 0.00 C ATOM 278 O GLY A 19 2.134 5.850 1.471 1.00 0.00 O ATOM 0 H GLY A 19 -0.087 5.945 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.474 6.896 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.345 5.166 4.184 1.00 0.00 H new ATOM 282 N CYS A 20 3.552 6.640 3.013 1.00 0.00 N ATOM 283 CA CYS A 20 4.625 6.806 2.064 1.00 0.00 C ATOM 284 C CYS A 20 5.647 5.735 2.268 1.00 0.00 C ATOM 285 O CYS A 20 5.815 5.214 3.373 1.00 0.00 O ATOM 286 CB CYS A 20 5.288 8.170 2.206 1.00 0.00 C ATOM 287 SG CYS A 20 6.574 8.263 3.507 1.00 0.00 S ATOM 0 H CYS A 20 3.788 6.889 3.974 1.00 0.00 H new ATOM 0 HA CYS A 20 4.202 6.734 1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.736 8.442 1.251 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.519 8.912 2.420 1.00 0.00 H new ATOM 292 N PHE A 21 6.293 5.368 1.198 1.00 0.00 N ATOM 293 CA PHE A 21 7.384 4.458 1.298 1.00 0.00 C ATOM 294 C PHE A 21 8.507 4.842 0.351 1.00 0.00 C ATOM 295 O PHE A 21 8.286 5.194 -0.808 1.00 0.00 O ATOM 296 CB PHE A 21 6.921 3.043 1.065 1.00 0.00 C ATOM 297 CG PHE A 21 7.986 2.049 1.387 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.921 1.681 0.439 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.068 1.502 2.656 1.00 0.00 C ATOM 300 CE1 PHE A 21 9.915 0.782 0.752 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.057 0.600 2.969 1.00 0.00 C ATOM 302 CZ PHE A 21 9.982 0.245 2.013 1.00 0.00 C ATOM 0 H PHE A 21 6.080 5.687 0.253 1.00 0.00 H new ATOM 0 HA PHE A 21 7.782 4.514 2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.041 2.844 1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.619 2.927 0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.872 2.102 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.347 1.787 3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.642 0.499 0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.108 0.172 3.959 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.764 -0.459 2.257 1.00 0.00 H new ATOM 312 N ARG A 22 9.712 4.776 0.878 1.00 0.00 N ATOM 313 CA ARG A 22 10.907 5.097 0.138 1.00 0.00 C ATOM 314 C ARG A 22 11.660 3.805 -0.155 1.00 0.00 C ATOM 315 O ARG A 22 12.203 3.170 0.749 1.00 0.00 O ATOM 316 CB ARG A 22 11.732 6.083 0.959 1.00 0.00 C ATOM 317 CG ARG A 22 13.121 6.315 0.438 1.00 0.00 C ATOM 318 CD ARG A 22 13.809 7.424 1.188 1.00 0.00 C ATOM 319 NE ARG A 22 14.377 8.373 0.261 1.00 0.00 N ATOM 320 CZ ARG A 22 15.409 9.174 0.538 1.00 0.00 C ATOM 321 NH1 ARG A 22 16.022 9.100 1.715 1.00 0.00 N ATOM 322 NH2 ARG A 22 15.822 10.053 -0.362 1.00 0.00 N ATOM 0 H ARG A 22 9.887 4.495 1.843 1.00 0.00 H new ATOM 0 HA ARG A 22 10.678 5.569 -0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.206 7.037 0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.798 5.718 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.703 5.398 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.077 6.563 -0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.097 7.926 1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.592 7.012 1.824 1.00 0.00 H new ATOM 0 HE ARG A 22 13.962 8.436 -0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.705 8.428 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.810 9.715 1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.352 10.117 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.610 10.666 -0.152 1.00 0.00 H new ATOM 336 N ASP A 23 11.682 3.416 -1.422 1.00 0.00 N ATOM 337 CA ASP A 23 11.996 2.031 -1.783 1.00 0.00 C ATOM 338 C ASP A 23 13.486 1.732 -1.876 1.00 0.00 C ATOM 339 O ASP A 23 14.323 2.494 -1.393 1.00 0.00 O ATOM 340 CB ASP A 23 11.299 1.614 -3.086 1.00 0.00 C ATOM 341 CG ASP A 23 11.870 2.245 -4.352 1.00 0.00 C ATOM 342 OD1 ASP A 23 12.921 2.916 -4.291 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.265 2.056 -5.427 1.00 0.00 O ATOM 0 H ASP A 23 11.489 4.029 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 23 11.609 1.436 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.357 0.530 -3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.242 1.872 -3.014 1.00 0.00 H new ATOM 348 N ASP A 24 13.793 0.599 -2.499 1.00 0.00 N ATOM 349 CA ASP A 24 15.155 0.091 -2.576 1.00 0.00 C ATOM 350 C ASP A 24 16.028 0.984 -3.445 1.00 0.00 C ATOM 351 O ASP A 24 17.191 1.231 -3.131 1.00 0.00 O ATOM 352 CB ASP A 24 15.142 -1.322 -3.148 1.00 0.00 C ATOM 353 CG ASP A 24 16.352 -2.129 -2.734 1.00 0.00 C ATOM 354 OD1 ASP A 24 17.420 -1.996 -3.366 1.00 0.00 O ATOM 355 OD2 ASP A 24 16.229 -2.906 -1.768 1.00 0.00 O ATOM 0 H ASP A 24 13.104 0.008 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 24 15.572 0.081 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.238 -1.835 -2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.100 -1.269 -4.236 1.00 0.00 H new ATOM 360 N ASP A 25 15.447 1.493 -4.523 1.00 0.00 N ATOM 361 CA ASP A 25 16.196 2.279 -5.497 1.00 0.00 C ATOM 362 C ASP A 25 16.448 3.688 -4.967 1.00 0.00 C ATOM 363 O ASP A 25 17.311 4.413 -5.466 1.00 0.00 O ATOM 364 CB ASP A 25 15.441 2.333 -6.831 1.00 0.00 C ATOM 365 CG ASP A 25 16.257 2.975 -7.933 1.00 0.00 C ATOM 366 OD1 ASP A 25 17.264 2.372 -8.362 1.00 0.00 O ATOM 367 OD2 ASP A 25 15.898 4.083 -8.381 1.00 0.00 O ATOM 0 H ASP A 25 14.459 1.376 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 25 17.160 1.798 -5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.165 1.322 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.514 2.890 -6.698 1.00 0.00 H new ATOM 372 N GLY A 26 15.701 4.059 -3.938 1.00 0.00 N ATOM 373 CA GLY A 26 15.835 5.379 -3.358 1.00 0.00 C ATOM 374 C GLY A 26 14.650 6.247 -3.696 1.00 0.00 C ATOM 375 O GLY A 26 14.630 7.444 -3.407 1.00 0.00 O ATOM 0 H GLY A 26 15.001 3.466 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.930 5.295 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.749 5.848 -3.723 1.00 0.00 H new ATOM 379 N THR A 27 13.664 5.627 -4.316 1.00 0.00 N ATOM 380 CA THR A 27 12.439 6.292 -4.710 1.00 0.00 C ATOM 381 C THR A 27 11.656 6.742 -3.487 1.00 0.00 C ATOM 382 O THR A 27 11.733 6.116 -2.435 1.00 0.00 O ATOM 383 CB THR A 27 11.556 5.314 -5.482 1.00 0.00 C ATOM 384 OG1 THR A 27 12.339 4.584 -6.437 1.00 0.00 O ATOM 385 CG2 THR A 27 10.405 6.018 -6.181 1.00 0.00 C ATOM 0 H THR A 27 13.692 4.638 -4.562 1.00 0.00 H new ATOM 0 HA THR A 27 12.704 7.154 -5.322 1.00 0.00 H new ATOM 0 HB THR A 27 11.128 4.620 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 27 12.824 3.865 -5.981 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.803 5.285 -6.718 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.786 6.525 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.800 6.749 -6.886 1.00 0.00 H new ATOM 393 N GLU A 28 10.906 7.814 -3.628 1.00 0.00 N ATOM 394 CA GLU A 28 10.014 8.251 -2.578 1.00 0.00 C ATOM 395 C GLU A 28 8.612 8.402 -3.131 1.00 0.00 C ATOM 396 O GLU A 28 8.346 9.244 -3.995 1.00 0.00 O ATOM 397 CB GLU A 28 10.525 9.546 -1.971 1.00 0.00 C ATOM 398 CG GLU A 28 11.847 9.362 -1.255 1.00 0.00 C ATOM 399 CD GLU A 28 12.645 10.649 -1.180 1.00 0.00 C ATOM 400 OE1 GLU A 28 12.248 11.570 -0.443 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.683 10.744 -1.868 1.00 0.00 O ATOM 0 H GLU A 28 10.897 8.400 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 28 9.982 7.505 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.641 10.292 -2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.785 9.933 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.663 8.992 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.434 8.602 -1.771 1.00 0.00 H new ATOM 408 N GLU A 29 7.734 7.548 -2.650 1.00 0.00 N ATOM 409 CA GLU A 29 6.380 7.467 -3.152 1.00 0.00 C ATOM 410 C GLU A 29 5.416 7.302 -1.999 1.00 0.00 C ATOM 411 O GLU A 29 5.803 6.881 -0.912 1.00 0.00 O ATOM 412 CB GLU A 29 6.249 6.263 -4.080 1.00 0.00 C ATOM 413 CG GLU A 29 4.903 6.161 -4.782 1.00 0.00 C ATOM 414 CD GLU A 29 4.628 7.336 -5.699 1.00 0.00 C ATOM 415 OE1 GLU A 29 5.320 7.466 -6.732 1.00 0.00 O ATOM 416 OE2 GLU A 29 3.706 8.123 -5.401 1.00 0.00 O ATOM 0 H GLU A 29 7.940 6.890 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 29 6.149 8.382 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.036 6.311 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.415 5.353 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.870 5.238 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.112 6.097 -4.034 1.00 0.00 H new ATOM 423 N TRP A 30 4.167 7.615 -2.237 1.00 0.00 N ATOM 424 CA TRP A 30 3.134 7.309 -1.284 1.00 0.00 C ATOM 425 C TRP A 30 1.964 6.664 -1.999 1.00 0.00 C ATOM 426 O TRP A 30 1.757 6.856 -3.198 1.00 0.00 O ATOM 427 CB TRP A 30 2.705 8.546 -0.479 1.00 0.00 C ATOM 428 CG TRP A 30 2.129 9.661 -1.289 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.744 10.826 -1.621 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.818 9.726 -1.841 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.897 11.615 -2.359 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.706 10.957 -2.510 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.268 8.854 -1.841 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.454 11.340 -3.169 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.419 9.236 -2.497 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.501 10.470 -3.154 1.00 0.00 C ATOM 0 H TRP A 30 3.842 8.082 -3.084 1.00 0.00 H new ATOM 0 HA TRP A 30 3.531 6.603 -0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.969 8.239 0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.570 8.923 0.066 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.753 11.093 -1.344 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.118 12.538 -2.733 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.210 7.900 -1.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.523 12.292 -3.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.271 8.573 -2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.416 10.738 -3.661 1.00 0.00 H new ATOM 447 N ARG A 31 1.219 5.880 -1.265 1.00 0.00 N ATOM 448 CA ARG A 31 0.100 5.139 -1.807 1.00 0.00 C ATOM 449 C ARG A 31 -1.055 5.224 -0.839 1.00 0.00 C ATOM 450 O ARG A 31 -0.931 5.823 0.226 1.00 0.00 O ATOM 451 CB ARG A 31 0.443 3.674 -2.062 1.00 0.00 C ATOM 452 CG ARG A 31 1.468 3.431 -3.160 1.00 0.00 C ATOM 453 CD ARG A 31 1.330 2.023 -3.721 1.00 0.00 C ATOM 454 NE ARG A 31 2.487 1.616 -4.518 1.00 0.00 N ATOM 455 CZ ARG A 31 2.405 1.161 -5.766 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.263 1.243 -6.435 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.474 0.652 -6.360 1.00 0.00 N ATOM 0 H ARG A 31 1.369 5.734 -0.267 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.163 5.582 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.816 3.238 -1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.473 3.142 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.333 4.161 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.473 3.573 -2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.195 1.320 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.432 1.968 -4.337 1.00 0.00 H new ATOM 0 HE ARG A 31 3.411 1.685 -4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.442 1.656 -5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.206 0.893 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.362 0.608 -5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.409 0.304 -7.317 1.00 0.00 H new ATOM 471 N CYS A 32 -2.153 4.587 -1.181 1.00 0.00 N ATOM 472 CA CYS A 32 -3.367 4.705 -0.403 1.00 0.00 C ATOM 473 C CYS A 32 -3.629 3.387 0.272 1.00 0.00 C ATOM 474 O CYS A 32 -3.613 2.335 -0.364 1.00 0.00 O ATOM 475 CB CYS A 32 -4.552 5.056 -1.310 1.00 0.00 C ATOM 476 SG CYS A 32 -4.350 6.626 -2.205 1.00 0.00 S ATOM 0 H CYS A 32 -2.230 3.979 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.250 5.497 0.336 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.695 4.252 -2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.458 5.107 -0.706 1.00 0.00 H new ATOM 481 N LEU A 33 -3.815 3.472 1.581 1.00 0.00 N ATOM 482 CA LEU A 33 -3.924 2.311 2.438 1.00 0.00 C ATOM 483 C LEU A 33 -5.012 1.367 1.942 1.00 0.00 C ATOM 484 O LEU A 33 -5.922 1.763 1.218 1.00 0.00 O ATOM 485 CB LEU A 33 -4.226 2.752 3.867 1.00 0.00 C ATOM 486 CG LEU A 33 -3.284 3.796 4.484 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.339 3.718 5.999 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.851 3.640 3.997 1.00 0.00 C ATOM 0 H LEU A 33 -3.895 4.359 2.078 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.975 1.776 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.239 3.152 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.217 1.868 4.504 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.628 4.778 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.667 4.463 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.357 3.912 6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.032 2.724 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.224 4.401 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.481 2.651 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.820 3.756 2.914 1.00 0.00 H new ATOM 500 N LEU A 34 -4.903 0.121 2.350 1.00 0.00 N ATOM 501 CA LEU A 34 -5.754 -0.936 1.863 1.00 0.00 C ATOM 502 C LEU A 34 -7.204 -0.698 2.225 1.00 0.00 C ATOM 503 O LEU A 34 -7.544 -0.497 3.389 1.00 0.00 O ATOM 504 CB LEU A 34 -5.248 -2.253 2.421 1.00 0.00 C ATOM 505 CG LEU A 34 -3.777 -2.501 2.112 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.292 -3.784 2.755 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.565 -2.527 0.609 1.00 0.00 C ATOM 0 H LEU A 34 -4.214 -0.187 3.036 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.714 -0.962 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.394 -2.264 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.843 -3.069 2.010 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.189 -1.686 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.239 -3.935 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.414 -3.718 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.874 -4.624 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.511 -2.705 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.165 -3.325 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.866 -1.570 0.182 1.00 0.00 H new ATOM 519 N GLY A 35 -8.053 -0.718 1.210 1.00 0.00 N ATOM 520 CA GLY A 35 -9.440 -0.399 1.410 1.00 0.00 C ATOM 521 C GLY A 35 -9.705 1.070 1.180 1.00 0.00 C ATOM 522 O GLY A 35 -10.752 1.593 1.580 1.00 0.00 O ATOM 0 H GLY A 35 -7.800 -0.951 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.053 -0.992 0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.735 -0.669 2.424 1.00 0.00 H new ATOM 526 N TYR A 36 -8.748 1.745 0.542 1.00 0.00 N ATOM 527 CA TYR A 36 -8.863 3.154 0.208 1.00 0.00 C ATOM 528 C TYR A 36 -8.533 3.351 -1.261 1.00 0.00 C ATOM 529 O TYR A 36 -7.953 2.472 -1.894 1.00 0.00 O ATOM 530 CB TYR A 36 -7.890 3.995 1.035 1.00 0.00 C ATOM 531 CG TYR A 36 -8.049 3.910 2.538 1.00 0.00 C ATOM 532 CD1 TYR A 36 -9.003 3.112 3.132 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.224 4.638 3.357 1.00 0.00 C ATOM 534 CE1 TYR A 36 -9.139 3.036 4.491 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.347 4.577 4.727 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.304 3.772 5.295 1.00 0.00 C ATOM 537 OH TYR A 36 -8.432 3.713 6.664 1.00 0.00 O ATOM 0 H TYR A 36 -7.869 1.322 0.243 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.883 3.471 0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.874 3.694 0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.998 5.038 0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.663 2.529 2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.465 5.270 2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.897 2.402 4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.691 5.162 5.355 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.762 4.294 7.081 1.00 0.00 H new ATOM 547 N LYS A 37 -8.899 4.499 -1.798 1.00 0.00 N ATOM 548 CA LYS A 37 -8.632 4.806 -3.171 1.00 0.00 C ATOM 549 C LYS A 37 -8.166 6.244 -3.289 1.00 0.00 C ATOM 550 O LYS A 37 -8.085 6.959 -2.289 1.00 0.00 O ATOM 551 CB LYS A 37 -9.872 4.550 -4.031 1.00 0.00 C ATOM 552 CG LYS A 37 -10.961 5.562 -3.994 1.00 0.00 C ATOM 553 CD LYS A 37 -11.729 5.539 -2.742 1.00 0.00 C ATOM 554 CE LYS A 37 -12.827 6.569 -2.819 1.00 0.00 C ATOM 555 NZ LYS A 37 -13.670 6.621 -1.596 1.00 0.00 N ATOM 0 H LYS A 37 -9.387 5.236 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.839 4.154 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.546 4.446 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.295 3.591 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.531 6.554 -4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.637 5.389 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.153 4.548 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.075 5.749 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.384 7.550 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.460 6.352 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.990 7.597 -1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.496 6.001 -1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.114 6.301 -0.777 1.00 0.00 H new ATOM 569 N LYS A 38 -7.854 6.658 -4.497 1.00 0.00 N ATOM 570 CA LYS A 38 -7.326 7.990 -4.729 1.00 0.00 C ATOM 571 C LYS A 38 -8.447 8.992 -4.952 1.00 0.00 C ATOM 572 O LYS A 38 -9.361 8.745 -5.740 1.00 0.00 O ATOM 573 CB LYS A 38 -6.397 7.984 -5.934 1.00 0.00 C ATOM 574 CG LYS A 38 -5.524 9.211 -5.997 1.00 0.00 C ATOM 575 CD LYS A 38 -4.536 9.222 -4.852 1.00 0.00 C ATOM 576 CE LYS A 38 -3.199 8.640 -5.273 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.208 7.157 -5.345 1.00 0.00 N ATOM 0 H LYS A 38 -7.956 6.091 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.767 8.289 -3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.767 7.095 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.991 7.917 -6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.989 9.234 -6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.144 10.107 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.396 10.244 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.938 8.649 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.924 9.044 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.432 8.959 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.230 6.805 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.696 6.772 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.705 6.854 -6.207 1.00 0.00 H new ATOM 591 N GLY A 39 -8.365 10.124 -4.259 1.00 0.00 N ATOM 592 CA GLY A 39 -9.395 11.128 -4.362 1.00 0.00 C ATOM 593 C GLY A 39 -9.044 12.227 -5.345 1.00 0.00 C ATOM 594 O GLY A 39 -9.248 12.081 -6.549 1.00 0.00 O ATOM 0 H GLY A 39 -7.599 10.359 -3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.328 10.655 -4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.569 11.567 -3.379 1.00 0.00 H new ATOM 598 N GLU A 40 -8.499 13.325 -4.840 1.00 0.00 N ATOM 599 CA GLU A 40 -8.185 14.479 -5.681 1.00 0.00 C ATOM 600 C GLU A 40 -6.741 14.430 -6.183 1.00 0.00 C ATOM 601 O GLU A 40 -5.989 15.401 -6.080 1.00 0.00 O ATOM 602 CB GLU A 40 -8.442 15.787 -4.924 1.00 0.00 C ATOM 603 CG GLU A 40 -7.516 16.017 -3.740 1.00 0.00 C ATOM 604 CD GLU A 40 -7.643 17.406 -3.162 1.00 0.00 C ATOM 605 OE1 GLU A 40 -7.272 18.376 -3.853 1.00 0.00 O ATOM 606 OE2 GLU A 40 -8.102 17.538 -2.011 1.00 0.00 O ATOM 0 H GLU A 40 -8.264 13.444 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.843 14.442 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.339 16.621 -5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.473 15.792 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.736 15.284 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.485 15.851 -4.053 1.00 0.00 H new ATOM 613 N GLY A 41 -6.360 13.300 -6.741 1.00 0.00 N ATOM 614 CA GLY A 41 -5.017 13.152 -7.263 1.00 0.00 C ATOM 615 C GLY A 41 -4.001 12.835 -6.184 1.00 0.00 C ATOM 616 O GLY A 41 -3.371 11.781 -6.209 1.00 0.00 O ATOM 0 H GLY A 41 -6.954 12.478 -6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.007 12.358 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.726 14.071 -7.771 1.00 0.00 H new ATOM 620 N ASN A 42 -3.841 13.738 -5.227 1.00 0.00 N ATOM 621 CA ASN A 42 -2.902 13.519 -4.135 1.00 0.00 C ATOM 622 C ASN A 42 -3.613 13.427 -2.801 1.00 0.00 C ATOM 623 O ASN A 42 -3.219 14.063 -1.822 1.00 0.00 O ATOM 624 CB ASN A 42 -1.822 14.599 -4.083 1.00 0.00 C ATOM 625 CG ASN A 42 -0.716 14.356 -5.086 1.00 0.00 C ATOM 626 OD1 ASN A 42 -0.443 13.220 -5.474 1.00 0.00 O ATOM 627 ND2 ASN A 42 -0.060 15.416 -5.501 1.00 0.00 N ATOM 0 H ASN A 42 -4.345 14.624 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.414 12.565 -4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.275 15.572 -4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.397 14.637 -3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.705 15.314 -6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.316 16.341 -5.156 1.00 0.00 H new ATOM 634 N THR A 43 -4.668 12.634 -2.771 1.00 0.00 N ATOM 635 CA THR A 43 -5.337 12.306 -1.530 1.00 0.00 C ATOM 636 C THR A 43 -5.806 10.882 -1.559 1.00 0.00 C ATOM 637 O THR A 43 -6.177 10.353 -2.605 1.00 0.00 O ATOM 638 CB THR A 43 -6.552 13.194 -1.232 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.391 13.304 -2.382 1.00 0.00 O ATOM 640 CG2 THR A 43 -6.112 14.560 -0.770 1.00 0.00 C ATOM 0 H THR A 43 -5.081 12.204 -3.599 1.00 0.00 H new ATOM 0 HA THR A 43 -4.598 12.472 -0.746 1.00 0.00 H new ATOM 0 HB THR A 43 -7.125 12.727 -0.431 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.307 13.507 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.989 15.174 -0.564 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.516 14.463 0.137 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.513 15.032 -1.549 1.00 0.00 H new ATOM 648 N CYS A 44 -5.787 10.270 -0.413 1.00 0.00 N ATOM 649 CA CYS A 44 -6.295 8.936 -0.276 1.00 0.00 C ATOM 650 C CYS A 44 -7.546 8.966 0.565 1.00 0.00 C ATOM 651 O CYS A 44 -7.635 9.715 1.537 1.00 0.00 O ATOM 652 CB CYS A 44 -5.232 8.035 0.322 1.00 0.00 C ATOM 653 SG CYS A 44 -3.761 7.891 -0.740 1.00 0.00 S ATOM 0 H CYS A 44 -5.422 10.677 0.448 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.553 8.530 -1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.936 8.425 1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.653 7.044 0.490 1.00 0.00 H new ATOM 658 N VAL A 45 -8.521 8.189 0.157 1.00 0.00 N ATOM 659 CA VAL A 45 -9.821 8.190 0.787 1.00 0.00 C ATOM 660 C VAL A 45 -10.360 6.785 0.891 1.00 0.00 C ATOM 661 O VAL A 45 -10.207 5.990 -0.023 1.00 0.00 O ATOM 662 CB VAL A 45 -10.818 9.048 -0.013 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.515 10.528 0.159 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.772 8.684 -1.497 1.00 0.00 C ATOM 0 H VAL A 45 -8.436 7.537 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.703 8.612 1.785 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.817 8.845 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.232 11.115 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.589 10.794 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.506 10.737 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.484 9.301 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.768 8.858 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.032 7.633 -1.622 1.00 0.00 H new ATOM 674 N GLU A 46 -10.989 6.494 2.008 1.00 0.00 N ATOM 675 CA GLU A 46 -11.583 5.189 2.249 1.00 0.00 C ATOM 676 C GLU A 46 -12.512 4.800 1.103 1.00 0.00 C ATOM 677 O GLU A 46 -13.499 5.486 0.852 1.00 0.00 O ATOM 678 CB GLU A 46 -12.371 5.232 3.555 1.00 0.00 C ATOM 679 CG GLU A 46 -11.539 4.964 4.798 1.00 0.00 C ATOM 680 CD GLU A 46 -12.350 5.072 6.073 1.00 0.00 C ATOM 681 OE1 GLU A 46 -13.145 4.152 6.361 1.00 0.00 O ATOM 682 OE2 GLU A 46 -12.196 6.076 6.798 1.00 0.00 O ATOM 0 H GLU A 46 -11.106 7.153 2.778 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.789 4.446 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.840 6.211 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.175 4.497 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.103 3.967 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.711 5.672 4.837 1.00 0.00 H new ATOM 689 N ASN A 47 -12.197 3.716 0.388 1.00 0.00 N ATOM 690 CA ASN A 47 -13.005 3.329 -0.736 1.00 0.00 C ATOM 691 C ASN A 47 -14.241 2.571 -0.297 1.00 0.00 C ATOM 692 O ASN A 47 -15.335 2.830 -0.790 1.00 0.00 O ATOM 693 CB ASN A 47 -12.198 2.549 -1.795 1.00 0.00 C ATOM 694 CG ASN A 47 -11.478 1.324 -1.371 1.00 0.00 C ATOM 695 OD1 ASN A 47 -11.880 0.618 -0.463 1.00 0.00 O ATOM 696 ND2 ASN A 47 -10.412 1.051 -2.095 1.00 0.00 N ATOM 0 H ASN A 47 -11.399 3.110 0.575 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.341 4.248 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.883 2.271 -2.596 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.466 3.233 -2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.871 0.207 -1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.127 1.684 -2.842 1.00 0.00 H new ATOM 703 N ASN A 48 -14.055 1.633 0.626 1.00 0.00 N ATOM 704 CA ASN A 48 -15.156 0.869 1.222 1.00 0.00 C ATOM 705 C ASN A 48 -15.865 -0.014 0.187 1.00 0.00 C ATOM 706 O ASN A 48 -16.703 -0.841 0.538 1.00 0.00 O ATOM 707 CB ASN A 48 -16.150 1.790 1.937 1.00 0.00 C ATOM 708 CG ASN A 48 -15.609 2.293 3.265 1.00 0.00 C ATOM 709 OD1 ASN A 48 -14.291 2.442 3.356 1.00 0.00 O flip ATOM 710 ND2 ASN A 48 -16.366 2.545 4.202 1.00 0.00 N flip ATOM 0 H ASN A 48 -13.135 1.377 0.986 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.719 0.205 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.382 2.640 1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.084 1.254 2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.372 2.418 4.093 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.987 2.881 5.087 1.00 0.00 H new ATOM 717 N ASN A 49 -15.518 0.168 -1.084 1.00 0.00 N ATOM 718 CA ASN A 49 -15.891 -0.764 -2.142 1.00 0.00 C ATOM 719 C ASN A 49 -14.671 -1.039 -3.041 1.00 0.00 C ATOM 720 O ASN A 49 -14.695 -0.781 -4.247 1.00 0.00 O ATOM 721 CB ASN A 49 -17.027 -0.183 -2.971 1.00 0.00 C ATOM 722 CG ASN A 49 -17.731 -1.222 -3.834 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.724 -1.820 -3.419 1.00 0.00 O ATOM 724 ND2 ASN A 49 -17.226 -1.444 -5.036 1.00 0.00 N ATOM 0 H ASN A 49 -14.971 0.965 -1.409 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.226 -1.700 -1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.755 0.280 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.634 0.606 -3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.661 -2.130 -5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.402 -0.929 -5.346 1.00 0.00 H new ATOM 731 N PRO A 50 -13.568 -1.507 -2.441 1.00 0.00 N ATOM 732 CA PRO A 50 -12.346 -1.851 -3.155 1.00 0.00 C ATOM 733 C PRO A 50 -12.487 -3.114 -3.983 1.00 0.00 C ATOM 734 O PRO A 50 -13.112 -4.088 -3.564 1.00 0.00 O ATOM 735 CB PRO A 50 -11.321 -2.070 -2.053 1.00 0.00 C ATOM 736 CG PRO A 50 -12.110 -2.393 -0.848 1.00 0.00 C ATOM 737 CD PRO A 50 -13.426 -1.701 -1.010 1.00 0.00 C ATOM 0 HA PRO A 50 -12.073 -1.068 -3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.639 -2.881 -2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.713 -1.179 -1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.247 -3.470 -0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.600 -2.053 0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.242 -2.303 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.441 -0.750 -0.478 1.00 0.00 H new ATOM 745 N THR A 51 -11.894 -3.083 -5.152 1.00 0.00 N ATOM 746 CA THR A 51 -11.901 -4.219 -6.050 1.00 0.00 C ATOM 747 C THR A 51 -10.467 -4.627 -6.355 1.00 0.00 C ATOM 748 O THR A 51 -9.571 -3.778 -6.361 1.00 0.00 O ATOM 749 CB THR A 51 -12.658 -3.887 -7.363 1.00 0.00 C ATOM 750 OG1 THR A 51 -12.693 -5.027 -8.230 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.018 -2.717 -8.099 1.00 0.00 C ATOM 0 H THR A 51 -11.392 -2.271 -5.510 1.00 0.00 H new ATOM 0 HA THR A 51 -12.421 -5.046 -5.567 1.00 0.00 H new ATOM 0 HB THR A 51 -13.675 -3.609 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.176 -4.798 -9.052 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.575 -2.514 -9.013 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.033 -1.834 -7.461 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.987 -2.965 -8.350 1.00 0.00 H new ATOM 759 N CYS A 52 -10.228 -5.905 -6.603 1.00 0.00 N ATOM 760 CA CYS A 52 -8.912 -6.306 -7.034 1.00 0.00 C ATOM 761 C CYS A 52 -8.894 -6.109 -8.534 1.00 0.00 C ATOM 762 O CYS A 52 -9.749 -6.646 -9.245 1.00 0.00 O ATOM 763 CB CYS A 52 -8.645 -7.772 -6.679 1.00 0.00 C ATOM 764 SG CYS A 52 -6.881 -8.239 -6.709 1.00 0.00 S ATOM 0 H CYS A 52 -10.910 -6.658 -6.515 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.136 -5.720 -6.542 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.046 -7.972 -5.685 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.190 -8.408 -7.377 1.00 0.00 H new ATOM 769 N ASP A 53 -7.882 -5.388 -8.996 1.00 0.00 N ATOM 770 CA ASP A 53 -7.881 -4.763 -10.322 1.00 0.00 C ATOM 771 C ASP A 53 -7.111 -3.469 -10.222 1.00 0.00 C ATOM 772 O ASP A 53 -6.186 -3.208 -10.984 1.00 0.00 O ATOM 773 CB ASP A 53 -9.298 -4.402 -10.787 1.00 0.00 C ATOM 774 CG ASP A 53 -9.338 -3.908 -12.217 1.00 0.00 C ATOM 775 OD1 ASP A 53 -9.111 -2.699 -12.447 1.00 0.00 O ATOM 776 OD2 ASP A 53 -9.608 -4.730 -13.117 1.00 0.00 O ATOM 0 H ASP A 53 -7.030 -5.216 -8.462 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.443 -5.468 -11.029 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.941 -5.277 -10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.706 -3.634 -10.130 1.00 0.00 H new ATOM 781 N ILE A 54 -7.508 -2.668 -9.239 1.00 0.00 N ATOM 782 CA ILE A 54 -6.912 -1.369 -9.018 1.00 0.00 C ATOM 783 C ILE A 54 -5.636 -1.536 -8.244 1.00 0.00 C ATOM 784 O ILE A 54 -5.656 -1.566 -7.014 1.00 0.00 O ATOM 785 CB ILE A 54 -7.839 -0.441 -8.219 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.184 -0.289 -8.935 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.160 0.911 -8.008 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.213 0.480 -8.135 1.00 0.00 C ATOM 0 H ILE A 54 -8.249 -2.906 -8.579 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.728 -0.921 -9.994 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.035 -0.879 -7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.024 0.217 -9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.579 -1.279 -9.163 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.822 1.566 -7.441 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.230 0.769 -7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.943 1.364 -8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.140 0.548 -8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.402 -0.036 -7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.839 1.483 -7.930 1.00 0.00 H new ATOM 800 N ASN A 55 -4.540 -1.687 -8.962 1.00 0.00 N ATOM 801 CA ASN A 55 -3.250 -1.884 -8.336 1.00 0.00 C ATOM 802 C ASN A 55 -3.338 -3.063 -7.377 1.00 0.00 C ATOM 803 O ASN A 55 -2.902 -2.982 -6.234 1.00 0.00 O ATOM 804 CB ASN A 55 -2.846 -0.611 -7.589 1.00 0.00 C ATOM 805 CG ASN A 55 -1.351 -0.446 -7.449 1.00 0.00 C ATOM 806 OD1 ASN A 55 -0.686 0.103 -8.328 1.00 0.00 O ATOM 807 ND2 ASN A 55 -0.821 -0.889 -6.339 1.00 0.00 N ATOM 0 H ASN A 55 -4.519 -1.677 -9.982 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.494 -2.097 -9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.252 0.254 -8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.297 -0.622 -6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.180 -0.786 -6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.409 -1.338 -5.637 1.00 0.00 H new ATOM 814 N ASN A 56 -3.976 -4.140 -7.849 1.00 0.00 N ATOM 815 CA ASN A 56 -4.134 -5.377 -7.073 1.00 0.00 C ATOM 816 C ASN A 56 -5.018 -5.116 -5.860 1.00 0.00 C ATOM 817 O ASN A 56 -4.847 -5.731 -4.823 1.00 0.00 O ATOM 818 CB ASN A 56 -2.780 -5.931 -6.587 1.00 0.00 C ATOM 819 CG ASN A 56 -1.635 -5.624 -7.507 1.00 0.00 C ATOM 820 OD1 ASN A 56 -0.570 -5.133 -6.922 1.00 0.00 O flip ATOM 821 ND2 ASN A 56 -1.720 -5.778 -8.727 1.00 0.00 N flip ATOM 0 H ASN A 56 -4.397 -4.180 -8.777 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.592 -6.115 -7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.562 -5.520 -5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.861 -7.012 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.572 -6.165 -9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.939 -5.519 -9.329 1.00 0.00 H new ATOM 828 N GLY A 57 -5.932 -4.163 -5.982 1.00 0.00 N ATOM 829 CA GLY A 57 -6.826 -3.849 -4.885 1.00 0.00 C ATOM 830 C GLY A 57 -6.230 -2.836 -3.930 1.00 0.00 C ATOM 831 O GLY A 57 -6.855 -2.464 -2.937 1.00 0.00 O ATOM 0 H GLY A 57 -6.070 -3.601 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.764 -3.462 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.064 -4.763 -4.340 1.00 0.00 H new ATOM 835 N GLY A 58 -5.033 -2.372 -4.249 1.00 0.00 N ATOM 836 CA GLY A 58 -4.325 -1.476 -3.363 1.00 0.00 C ATOM 837 C GLY A 58 -3.057 -2.112 -2.830 1.00 0.00 C ATOM 838 O GLY A 58 -2.403 -1.576 -1.945 1.00 0.00 O ATOM 0 H GLY A 58 -4.537 -2.602 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.077 -0.557 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.972 -1.198 -2.531 1.00 0.00 H new ATOM 842 N CYS A 59 -2.694 -3.234 -3.425 1.00 0.00 N ATOM 843 CA CYS A 59 -1.556 -4.034 -3.004 1.00 0.00 C ATOM 844 C CYS A 59 -0.411 -3.841 -3.965 1.00 0.00 C ATOM 845 O CYS A 59 -0.498 -3.096 -4.931 1.00 0.00 O ATOM 846 CB CYS A 59 -1.900 -5.523 -3.017 1.00 0.00 C ATOM 847 SG CYS A 59 -3.507 -5.967 -2.286 1.00 0.00 S ATOM 0 H CYS A 59 -3.189 -3.622 -4.228 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.289 -3.716 -1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.882 -5.872 -4.049 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.117 -6.063 -2.484 1.00 0.00 H new ATOM 852 N ASP A 60 0.651 -4.541 -3.695 1.00 0.00 N ATOM 853 CA ASP A 60 1.791 -4.577 -4.578 1.00 0.00 C ATOM 854 C ASP A 60 1.682 -5.863 -5.344 1.00 0.00 C ATOM 855 O ASP A 60 1.093 -6.808 -4.852 1.00 0.00 O ATOM 856 CB ASP A 60 3.053 -4.581 -3.734 1.00 0.00 C ATOM 857 CG ASP A 60 4.321 -4.382 -4.539 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.826 -5.373 -5.104 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.829 -3.242 -4.596 1.00 0.00 O ATOM 0 H ASP A 60 0.756 -5.108 -2.853 1.00 0.00 H new ATOM 0 HA ASP A 60 1.824 -3.721 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.981 -3.793 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.118 -5.527 -3.197 1.00 0.00 H new ATOM 864 N PRO A 61 2.126 -5.895 -6.600 1.00 0.00 N ATOM 865 CA PRO A 61 2.014 -7.097 -7.415 1.00 0.00 C ATOM 866 C PRO A 61 2.707 -8.288 -6.757 1.00 0.00 C ATOM 867 O PRO A 61 2.450 -9.443 -7.098 1.00 0.00 O ATOM 868 CB PRO A 61 2.717 -6.727 -8.721 1.00 0.00 C ATOM 869 CG PRO A 61 2.754 -5.240 -8.759 1.00 0.00 C ATOM 870 CD PRO A 61 2.717 -4.767 -7.335 1.00 0.00 C ATOM 0 HA PRO A 61 0.976 -7.398 -7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.724 -7.143 -8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.179 -7.126 -9.581 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.656 -4.889 -9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.905 -4.847 -9.319 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.715 -4.530 -6.967 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.116 -3.864 -7.230 1.00 0.00 H new ATOM 878 N THR A 62 3.591 -7.985 -5.809 1.00 0.00 N ATOM 879 CA THR A 62 4.282 -9.001 -5.035 1.00 0.00 C ATOM 880 C THR A 62 3.512 -9.293 -3.752 1.00 0.00 C ATOM 881 O THR A 62 3.872 -10.168 -2.967 1.00 0.00 O ATOM 882 CB THR A 62 5.714 -8.543 -4.716 1.00 0.00 C ATOM 883 OG1 THR A 62 5.699 -7.466 -3.768 1.00 0.00 O ATOM 884 CG2 THR A 62 6.384 -8.064 -5.990 1.00 0.00 C ATOM 0 H THR A 62 3.845 -7.029 -5.560 1.00 0.00 H new ATOM 0 HA THR A 62 4.338 -9.918 -5.622 1.00 0.00 H new ATOM 0 HB THR A 62 6.262 -9.385 -4.292 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.617 -6.613 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.400 -7.738 -5.767 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.415 -8.879 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.819 -7.230 -6.407 1.00 0.00 H new ATOM 892 N ALA A 63 2.456 -8.527 -3.550 1.00 0.00 N ATOM 893 CA ALA A 63 1.483 -8.797 -2.515 1.00 0.00 C ATOM 894 C ALA A 63 0.282 -9.511 -3.125 1.00 0.00 C ATOM 895 O ALA A 63 -0.498 -8.908 -3.861 1.00 0.00 O ATOM 896 CB ALA A 63 1.046 -7.502 -1.838 1.00 0.00 C ATOM 0 H ALA A 63 2.251 -7.696 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 63 1.936 -9.437 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.314 -7.726 -1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.912 -7.016 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.599 -6.838 -2.578 1.00 0.00 H new ATOM 902 N SER A 64 0.162 -10.799 -2.836 1.00 0.00 N ATOM 903 CA SER A 64 -0.950 -11.607 -3.312 1.00 0.00 C ATOM 904 C SER A 64 -2.269 -10.945 -2.944 1.00 0.00 C ATOM 905 O SER A 64 -2.591 -10.817 -1.763 1.00 0.00 O ATOM 906 CB SER A 64 -0.867 -13.011 -2.700 1.00 0.00 C ATOM 907 OG SER A 64 -2.009 -13.790 -3.009 1.00 0.00 O ATOM 0 H SER A 64 0.833 -11.313 -2.265 1.00 0.00 H new ATOM 0 HA SER A 64 -0.895 -11.691 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.027 -13.515 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.765 -12.930 -1.618 1.00 0.00 H new ATOM 0 HG SER A 64 -1.919 -14.678 -2.603 1.00 0.00 H new ATOM 913 N CYS A 65 -3.007 -10.497 -3.952 1.00 0.00 N ATOM 914 CA CYS A 65 -4.278 -9.844 -3.712 1.00 0.00 C ATOM 915 C CYS A 65 -5.406 -10.840 -3.694 1.00 0.00 C ATOM 916 O CYS A 65 -5.528 -11.703 -4.568 1.00 0.00 O ATOM 917 CB CYS A 65 -4.585 -8.770 -4.752 1.00 0.00 C ATOM 918 SG CYS A 65 -6.334 -8.227 -4.750 1.00 0.00 S ATOM 0 H CYS A 65 -2.746 -10.575 -4.935 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.192 -9.366 -2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.945 -7.907 -4.570 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.333 -9.151 -5.741 1.00 0.00 H new ATOM 923 N GLN A 66 -6.210 -10.699 -2.674 1.00 0.00 N ATOM 924 CA GLN A 66 -7.436 -11.447 -2.525 1.00 0.00 C ATOM 925 C GLN A 66 -8.564 -10.453 -2.367 1.00 0.00 C ATOM 926 O GLN A 66 -8.516 -9.603 -1.479 1.00 0.00 O ATOM 927 CB GLN A 66 -7.389 -12.324 -1.278 1.00 0.00 C ATOM 928 CG GLN A 66 -6.011 -12.851 -0.952 1.00 0.00 C ATOM 929 CD GLN A 66 -5.740 -14.215 -1.551 1.00 0.00 C ATOM 930 OE1 GLN A 66 -5.243 -14.338 -2.671 1.00 0.00 O ATOM 931 NE2 GLN A 66 -6.073 -15.254 -0.801 1.00 0.00 N ATOM 0 H GLN A 66 -6.031 -10.050 -1.908 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.578 -12.086 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.758 -11.750 -0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.067 -13.167 -1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.263 -12.146 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.897 -12.907 0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.482 -15.107 0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.920 -16.202 -1.146 1.00 0.00 H new ATOM 940 N ASN A 67 -9.556 -10.519 -3.224 1.00 0.00 N ATOM 941 CA ASN A 67 -10.715 -9.675 -3.048 1.00 0.00 C ATOM 942 C ASN A 67 -11.700 -10.329 -2.112 1.00 0.00 C ATOM 943 O ASN A 67 -11.981 -11.525 -2.201 1.00 0.00 O ATOM 944 CB ASN A 67 -11.392 -9.282 -4.362 1.00 0.00 C ATOM 945 CG ASN A 67 -11.493 -10.391 -5.393 1.00 0.00 C ATOM 946 OD1 ASN A 67 -10.660 -11.295 -5.469 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.523 -10.317 -6.208 1.00 0.00 N ATOM 0 H ASN A 67 -9.586 -11.136 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.356 -8.745 -2.608 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.396 -8.920 -4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.843 -8.449 -4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.652 -11.023 -6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.193 -9.554 -6.115 1.00 0.00 H new ATOM 954 N ALA A 68 -12.195 -9.525 -1.204 1.00 0.00 N ATOM 955 CA ALA A 68 -13.061 -9.988 -0.143 1.00 0.00 C ATOM 956 C ALA A 68 -13.976 -8.863 0.298 1.00 0.00 C ATOM 957 O ALA A 68 -13.777 -7.706 -0.077 1.00 0.00 O ATOM 958 CB ALA A 68 -12.224 -10.484 1.022 1.00 0.00 C ATOM 0 H ALA A 68 -12.008 -8.523 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.674 -10.813 -0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.880 -10.832 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.589 -11.306 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.600 -9.671 1.394 1.00 0.00 H new ATOM 964 N GLU A 69 -14.976 -9.199 1.085 1.00 0.00 N ATOM 965 CA GLU A 69 -15.896 -8.209 1.597 1.00 0.00 C ATOM 966 C GLU A 69 -16.066 -8.363 3.102 1.00 0.00 C ATOM 967 O GLU A 69 -16.521 -9.398 3.602 1.00 0.00 O ATOM 968 CB GLU A 69 -17.222 -8.285 0.862 1.00 0.00 C ATOM 969 CG GLU A 69 -17.774 -9.674 0.838 1.00 0.00 C ATOM 970 CD GLU A 69 -19.103 -9.769 0.126 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.110 -9.998 -1.101 1.00 0.00 O ATOM 972 OE2 GLU A 69 -20.151 -9.624 0.784 1.00 0.00 O ATOM 0 H GLU A 69 -15.172 -10.154 1.384 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.482 -7.216 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.940 -7.619 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.090 -7.930 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.058 -10.335 0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.890 -10.031 1.861 1.00 0.00 H new ATOM 979 N SER A 70 -15.671 -7.326 3.818 1.00 0.00 N ATOM 980 CA SER A 70 -15.669 -7.339 5.268 1.00 0.00 C ATOM 981 C SER A 70 -16.239 -6.037 5.798 1.00 0.00 C ATOM 982 O SER A 70 -16.390 -5.074 5.046 1.00 0.00 O ATOM 983 CB SER A 70 -14.239 -7.534 5.792 1.00 0.00 C ATOM 984 OG SER A 70 -14.205 -7.589 7.210 1.00 0.00 O ATOM 0 H SER A 70 -15.343 -6.451 3.410 1.00 0.00 H new ATOM 0 HA SER A 70 -16.289 -8.167 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.823 -8.454 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.609 -6.716 5.444 1.00 0.00 H new ATOM 0 HG SER A 70 -13.281 -7.715 7.510 1.00 0.00 H new ATOM 990 N THR A 71 -16.551 -6.005 7.080 1.00 0.00 N ATOM 991 CA THR A 71 -17.004 -4.786 7.721 1.00 0.00 C ATOM 992 C THR A 71 -15.931 -3.700 7.599 1.00 0.00 C ATOM 993 O THR A 71 -16.240 -2.515 7.438 1.00 0.00 O ATOM 994 CB THR A 71 -17.364 -5.038 9.203 1.00 0.00 C ATOM 995 OG1 THR A 71 -17.734 -3.813 9.849 1.00 0.00 O ATOM 996 CG2 THR A 71 -16.206 -5.688 9.941 1.00 0.00 C ATOM 0 H THR A 71 -16.498 -6.813 7.700 1.00 0.00 H new ATOM 0 HA THR A 71 -17.907 -4.445 7.215 1.00 0.00 H new ATOM 0 HB THR A 71 -18.215 -5.719 9.229 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.960 -3.992 10.786 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.485 -5.855 10.981 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.966 -6.642 9.473 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.335 -5.034 9.899 1.00 0.00 H new ATOM 1004 N GLU A 72 -14.668 -4.118 7.633 1.00 0.00 N ATOM 1005 CA GLU A 72 -13.558 -3.196 7.465 1.00 0.00 C ATOM 1006 C GLU A 72 -13.191 -3.101 5.994 1.00 0.00 C ATOM 1007 O GLU A 72 -13.179 -4.102 5.281 1.00 0.00 O ATOM 1008 CB GLU A 72 -12.325 -3.658 8.235 1.00 0.00 C ATOM 1009 CG GLU A 72 -12.585 -4.094 9.663 1.00 0.00 C ATOM 1010 CD GLU A 72 -11.511 -3.604 10.613 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -10.372 -4.111 10.555 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -11.797 -2.691 11.413 1.00 0.00 O ATOM 0 H GLU A 72 -14.392 -5.090 7.776 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.875 -2.227 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.869 -4.488 7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.597 -2.846 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.555 -3.715 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.637 -5.182 9.706 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.909 -1.889 5.546 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.407 -1.653 4.196 1.00 0.00 C ATOM 1021 C ASN A 73 -11.010 -2.235 4.045 1.00 0.00 C ATOM 1022 O ASN A 73 -10.661 -2.763 2.993 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.376 -0.148 3.885 1.00 0.00 C ATOM 1024 CG ASN A 73 -11.782 0.649 5.014 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -10.573 0.748 5.149 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -12.642 1.224 5.834 1.00 0.00 N ATOM 0 H ASN A 73 -13.020 -1.042 6.103 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.079 -2.144 3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.797 0.023 2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.389 0.202 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.304 1.779 6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.644 1.113 5.681 1.00 0.00 H new ATOM 1033 N SER A 74 -10.227 -2.160 5.114 1.00 0.00 N ATOM 1034 CA SER A 74 -8.853 -2.630 5.088 1.00 0.00 C ATOM 1035 C SER A 74 -8.812 -4.156 5.148 1.00 0.00 C ATOM 1036 O SER A 74 -7.780 -4.776 4.890 1.00 0.00 O ATOM 1037 CB SER A 74 -8.067 -2.015 6.254 1.00 0.00 C ATOM 1038 OG SER A 74 -6.673 -2.233 6.119 1.00 0.00 O ATOM 0 H SER A 74 -10.524 -1.776 6.011 1.00 0.00 H new ATOM 0 HA SER A 74 -8.387 -2.316 4.154 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.265 -0.944 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.413 -2.445 7.194 1.00 0.00 H new ATOM 0 HG SER A 74 -6.212 -1.371 6.056 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.950 -4.759 5.475 1.00 0.00 N ATOM 1045 CA LYS A 75 -10.057 -6.208 5.540 1.00 0.00 C ATOM 1046 C LYS A 75 -10.739 -6.758 4.297 1.00 0.00 C ATOM 1047 O LYS A 75 -11.066 -7.942 4.232 1.00 0.00 O ATOM 1048 CB LYS A 75 -10.839 -6.620 6.786 1.00 0.00 C ATOM 1049 CG LYS A 75 -10.184 -6.186 8.075 1.00 0.00 C ATOM 1050 CD LYS A 75 -8.921 -6.976 8.336 1.00 0.00 C ATOM 1051 CE LYS A 75 -9.230 -8.439 8.580 1.00 0.00 C ATOM 1052 NZ LYS A 75 -7.995 -9.228 8.796 1.00 0.00 N ATOM 0 H LYS A 75 -10.813 -4.263 5.699 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.050 -6.622 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.841 -6.194 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.954 -7.704 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.948 -5.123 8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.879 -6.321 8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.247 -6.881 7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.402 -6.562 9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.880 -8.534 9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.776 -8.843 7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.244 -10.224 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.386 -9.157 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.487 -8.857 9.624 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.962 -5.896 3.313 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.590 -6.325 2.077 1.00 0.00 C ATOM 1068 C LYS A 76 -10.542 -6.820 1.106 1.00 0.00 C ATOM 1069 O LYS A 76 -10.640 -7.916 0.571 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.355 -5.196 1.417 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.359 -4.494 2.311 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.269 -3.624 1.476 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.949 -2.522 2.266 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.627 -3.037 3.483 1.00 0.00 N ATOM 0 H LYS A 76 -10.719 -4.906 3.348 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.286 -7.125 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.641 -4.459 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.880 -5.592 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.947 -5.229 2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.838 -3.886 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.689 -3.176 0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.031 -4.250 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.209 -1.775 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.679 -2.020 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.597 -2.665 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.656 -4.076 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.103 -2.731 4.328 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.552 -5.989 0.863 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.464 -6.367 -0.006 1.00 0.00 C ATOM 1090 C ILE A 77 -7.345 -6.953 0.818 1.00 0.00 C ATOM 1091 O ILE A 77 -6.780 -6.295 1.693 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.937 -5.178 -0.829 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.059 -4.594 -1.686 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.767 -5.601 -1.705 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.696 -5.606 -2.610 1.00 0.00 C ATOM 0 H ILE A 77 -9.480 -5.050 1.255 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.843 -7.108 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.584 -4.412 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.825 -4.176 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.662 -3.770 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.412 -4.744 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.960 -5.978 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.090 -6.385 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.484 -5.125 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.941 -6.006 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.123 -6.418 -2.021 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.058 -8.202 0.557 1.00 0.00 N ATOM 1108 CA ILE A 78 -6.008 -8.898 1.265 1.00 0.00 C ATOM 1109 C ILE A 78 -4.726 -8.835 0.463 1.00 0.00 C ATOM 1110 O ILE A 78 -4.655 -9.351 -0.649 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.365 -10.374 1.546 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.645 -10.487 2.378 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.217 -11.072 2.254 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.912 -10.321 1.568 1.00 0.00 C ATOM 0 H ILE A 78 -7.539 -8.764 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.881 -8.401 2.227 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.540 -10.863 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.663 -11.459 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.625 -9.732 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.485 -12.111 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.327 -11.036 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.014 -10.570 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.778 -10.413 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.917 -9.338 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.956 -11.092 0.799 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.731 -8.175 1.023 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.436 -8.058 0.382 1.00 0.00 C ATOM 1128 C CYS A 79 -1.399 -8.859 1.156 1.00 0.00 C ATOM 1129 O CYS A 79 -1.091 -8.555 2.309 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.028 -6.591 0.301 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.343 -5.504 -0.320 1.00 0.00 S ATOM 0 H CYS A 79 -3.796 -7.708 1.928 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.499 -8.458 -0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.725 -6.252 1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.157 -6.500 -0.347 1.00 0.00 H new ATOM 1136 N THR A 80 -0.882 -9.892 0.521 1.00 0.00 N ATOM 1137 CA THR A 80 0.064 -10.795 1.154 1.00 0.00 C ATOM 1138 C THR A 80 1.401 -10.783 0.427 1.00 0.00 C ATOM 1139 O THR A 80 1.511 -11.282 -0.690 1.00 0.00 O ATOM 1140 CB THR A 80 -0.482 -12.237 1.165 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.682 -12.312 1.949 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.554 -13.209 1.709 1.00 0.00 C ATOM 0 H THR A 80 -1.104 -10.130 -0.446 1.00 0.00 H new ATOM 0 HA THR A 80 0.207 -10.450 2.178 1.00 0.00 H new ATOM 0 HB THR A 80 -0.710 -12.517 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.018 -13.233 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.143 -14.218 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.446 -13.178 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.817 -12.928 2.729 1.00 0.00 H new ATOM 1150 N CYS A 81 2.421 -10.245 1.063 1.00 0.00 N ATOM 1151 CA CYS A 81 3.731 -10.210 0.446 1.00 0.00 C ATOM 1152 C CYS A 81 4.406 -11.574 0.664 1.00 0.00 C ATOM 1153 O CYS A 81 4.443 -12.091 1.785 1.00 0.00 O ATOM 1154 CB CYS A 81 4.582 -9.066 1.026 1.00 0.00 C ATOM 1155 SG CYS A 81 3.691 -7.487 1.288 1.00 0.00 S ATOM 0 H CYS A 81 2.371 -9.831 1.994 1.00 0.00 H new ATOM 0 HA CYS A 81 3.632 -10.020 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.999 -9.392 1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.422 -8.884 0.356 1.00 0.00 H new ATOM 1160 N LYS A 82 4.909 -12.157 -0.425 1.00 0.00 N ATOM 1161 CA LYS A 82 5.419 -13.534 -0.434 1.00 0.00 C ATOM 1162 C LYS A 82 6.732 -13.690 0.336 1.00 0.00 C ATOM 1163 O LYS A 82 7.237 -12.741 0.931 1.00 0.00 O ATOM 1164 CB LYS A 82 5.624 -14.034 -1.872 1.00 0.00 C ATOM 1165 CG LYS A 82 4.340 -14.324 -2.639 1.00 0.00 C ATOM 1166 CD LYS A 82 3.582 -13.055 -2.974 1.00 0.00 C ATOM 1167 CE LYS A 82 2.373 -13.327 -3.847 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.739 -13.917 -5.162 1.00 0.00 N ATOM 0 H LYS A 82 4.976 -11.689 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 82 4.661 -14.135 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.198 -13.288 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.226 -14.942 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.579 -14.857 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.704 -14.981 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.261 -12.571 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.248 -12.359 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.697 -14.004 -3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.830 -12.396 -4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.934 -13.834 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.557 -13.409 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.982 -14.921 -5.037 1.00 0.00 H new ATOM 1182 N GLU A 83 7.273 -14.905 0.305 1.00 0.00 N ATOM 1183 CA GLU A 83 8.513 -15.250 1.012 1.00 0.00 C ATOM 1184 C GLU A 83 9.682 -14.281 0.750 1.00 0.00 C ATOM 1185 O GLU A 83 10.337 -13.861 1.705 1.00 0.00 O ATOM 1186 CB GLU A 83 8.941 -16.674 0.666 1.00 0.00 C ATOM 1187 CG GLU A 83 7.918 -17.718 1.054 1.00 0.00 C ATOM 1188 CD GLU A 83 8.431 -19.126 0.868 1.00 0.00 C ATOM 1189 OE1 GLU A 83 9.025 -19.675 1.818 1.00 0.00 O ATOM 1190 OE2 GLU A 83 8.240 -19.695 -0.225 1.00 0.00 O ATOM 0 H GLU A 83 6.866 -15.684 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 83 8.278 -15.167 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.128 -16.739 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.883 -16.895 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.633 -17.573 2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.018 -17.580 0.455 1.00 0.00 H new ATOM 1197 N PRO A 84 9.978 -13.883 -0.515 1.00 0.00 N ATOM 1198 CA PRO A 84 11.131 -13.030 -0.792 1.00 0.00 C ATOM 1199 C PRO A 84 10.829 -11.583 -0.463 1.00 0.00 C ATOM 1200 O PRO A 84 11.588 -10.669 -0.792 1.00 0.00 O ATOM 1201 CB PRO A 84 11.349 -13.192 -2.287 1.00 0.00 C ATOM 1202 CG PRO A 84 9.994 -13.481 -2.839 1.00 0.00 C ATOM 1203 CD PRO A 84 9.217 -14.173 -1.747 1.00 0.00 C ATOM 0 HA PRO A 84 12.003 -13.303 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.771 -12.288 -2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.045 -14.004 -2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.496 -12.560 -3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.064 -14.113 -3.724 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.197 -13.793 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.147 -15.246 -1.928 1.00 0.00 H new ATOM 1211 N THR A 85 9.684 -11.394 0.160 1.00 0.00 N ATOM 1212 CA THR A 85 9.238 -10.097 0.583 1.00 0.00 C ATOM 1213 C THR A 85 8.786 -10.192 2.046 1.00 0.00 C ATOM 1214 O THR A 85 7.600 -10.109 2.359 1.00 0.00 O ATOM 1215 CB THR A 85 8.094 -9.595 -0.331 1.00 0.00 C ATOM 1216 OG1 THR A 85 6.901 -10.319 -0.089 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.440 -9.784 -1.792 1.00 0.00 C ATOM 0 H THR A 85 9.036 -12.148 0.386 1.00 0.00 H new ATOM 0 HA THR A 85 10.051 -9.375 0.506 1.00 0.00 H new ATOM 0 HB THR A 85 7.956 -8.537 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.932 -10.709 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.618 -9.423 -2.410 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.345 -9.223 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.607 -10.842 -1.992 1.00 0.00 H new ATOM 1225 N PRO A 86 9.746 -10.377 2.967 1.00 0.00 N ATOM 1226 CA PRO A 86 9.465 -10.640 4.385 1.00 0.00 C ATOM 1227 C PRO A 86 8.795 -9.460 5.063 1.00 0.00 C ATOM 1228 O PRO A 86 8.307 -9.561 6.190 1.00 0.00 O ATOM 1229 CB PRO A 86 10.853 -10.868 4.998 1.00 0.00 C ATOM 1230 CG PRO A 86 11.767 -11.100 3.851 1.00 0.00 C ATOM 1231 CD PRO A 86 11.188 -10.332 2.707 1.00 0.00 C ATOM 0 HA PRO A 86 8.784 -11.482 4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.170 -10.004 5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.847 -11.724 5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.776 -10.759 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.836 -12.162 3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.560 -9.308 2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.439 -10.787 1.749 1.00 0.00 H new ATOM 1239 N ASN A 87 8.773 -8.346 4.360 1.00 0.00 N ATOM 1240 CA ASN A 87 8.269 -7.106 4.895 1.00 0.00 C ATOM 1241 C ASN A 87 7.232 -6.538 3.950 1.00 0.00 C ATOM 1242 O ASN A 87 7.132 -6.966 2.799 1.00 0.00 O ATOM 1243 CB ASN A 87 9.407 -6.103 5.050 1.00 0.00 C ATOM 1244 CG ASN A 87 10.596 -6.663 5.799 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.528 -7.213 5.043 1.00 0.00 O flip ATOM 1246 ND2 ASN A 87 10.679 -6.590 7.021 1.00 0.00 N flip ATOM 0 H ASN A 87 9.106 -8.279 3.398 1.00 0.00 H new ATOM 0 HA ASN A 87 7.821 -7.295 5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.730 -5.774 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.037 -5.222 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.929 -6.154 7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.498 -6.965 7.500 1.00 0.00 H new ATOM 1253 N ALA A 88 6.484 -5.569 4.421 1.00 0.00 N ATOM 1254 CA ALA A 88 5.503 -4.907 3.591 1.00 0.00 C ATOM 1255 C ALA A 88 5.643 -3.406 3.719 1.00 0.00 C ATOM 1256 O ALA A 88 5.958 -2.894 4.793 1.00 0.00 O ATOM 1257 CB ALA A 88 4.102 -5.346 3.976 1.00 0.00 C ATOM 0 H ALA A 88 6.535 -5.220 5.378 1.00 0.00 H new ATOM 0 HA ALA A 88 5.676 -5.186 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.375 -4.839 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.009 -6.424 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.915 -5.091 5.019 1.00 0.00 H new ATOM 1263 N TYR A 89 5.443 -2.707 2.619 1.00 0.00 N ATOM 1264 CA TYR A 89 5.415 -1.261 2.638 1.00 0.00 C ATOM 1265 C TYR A 89 4.059 -0.843 3.207 1.00 0.00 C ATOM 1266 O TYR A 89 3.026 -0.969 2.538 1.00 0.00 O ATOM 1267 CB TYR A 89 5.612 -0.662 1.231 1.00 0.00 C ATOM 1268 CG TYR A 89 6.853 -1.087 0.462 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.784 -1.977 0.974 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.083 -0.569 -0.807 1.00 0.00 C ATOM 1271 CE1 TYR A 89 8.900 -2.329 0.244 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.190 -0.919 -1.541 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.097 -1.794 -1.013 1.00 0.00 C ATOM 1274 OH TYR A 89 10.211 -2.132 -1.737 1.00 0.00 O ATOM 0 H TYR A 89 5.297 -3.121 1.698 1.00 0.00 H new ATOM 0 HA TYR A 89 6.235 -0.887 3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.739 -0.916 0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.629 0.424 1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.634 -2.400 1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.372 0.127 -1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.619 -3.022 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.342 -0.506 -2.527 1.00 0.00 H new ATOM 0 HH TYR A 89 10.194 -1.668 -2.600 1.00 0.00 H new ATOM 1284 N TYR A 90 4.078 -0.397 4.456 1.00 0.00 N ATOM 1285 CA TYR A 90 2.870 -0.112 5.228 1.00 0.00 C ATOM 1286 C TYR A 90 2.092 -1.398 5.513 1.00 0.00 C ATOM 1287 O TYR A 90 2.591 -2.289 6.197 1.00 0.00 O ATOM 1288 CB TYR A 90 1.975 0.944 4.554 1.00 0.00 C ATOM 1289 CG TYR A 90 1.477 1.989 5.530 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.581 1.659 6.540 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.924 3.300 5.459 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.142 2.605 7.444 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.495 4.251 6.362 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.602 3.899 7.353 1.00 0.00 C ATOM 1295 OH TYR A 90 0.174 4.843 8.262 1.00 0.00 O ATOM 0 H TYR A 90 4.941 -0.220 4.970 1.00 0.00 H new ATOM 0 HA TYR A 90 3.191 0.314 6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.534 1.433 3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.122 0.450 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.222 0.644 6.619 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.620 3.582 4.683 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.559 2.331 8.219 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.857 5.266 6.293 1.00 0.00 H new ATOM 0 HH TYR A 90 0.593 5.705 8.060 1.00 0.00 H new ATOM 1305 N GLU A 91 0.889 -1.506 4.971 1.00 0.00 N ATOM 1306 CA GLU A 91 0.014 -2.638 5.287 1.00 0.00 C ATOM 1307 C GLU A 91 0.125 -3.756 4.251 1.00 0.00 C ATOM 1308 O GLU A 91 -0.606 -4.745 4.317 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.448 -2.193 5.359 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.665 -0.843 6.016 1.00 0.00 C ATOM 1311 CD GLU A 91 -3.033 -0.734 6.651 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -4.041 -0.845 5.925 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.105 -0.563 7.884 1.00 0.00 O ATOM 0 H GLU A 91 0.493 -0.833 4.315 1.00 0.00 H new ATOM 0 HA GLU A 91 0.341 -3.018 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.854 -2.160 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.016 -2.945 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.899 -0.682 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.547 -0.055 5.272 1.00 0.00 H new ATOM 1320 N GLY A 92 1.037 -3.607 3.309 1.00 0.00 N ATOM 1321 CA GLY A 92 1.075 -4.512 2.175 1.00 0.00 C ATOM 1322 C GLY A 92 0.632 -3.806 0.918 1.00 0.00 C ATOM 1323 O GLY A 92 0.443 -4.425 -0.128 1.00 0.00 O ATOM 0 H GLY A 92 1.752 -2.879 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.086 -4.898 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.428 -5.369 2.365 1.00 0.00 H new ATOM 1327 N VAL A 93 0.456 -2.492 1.046 1.00 0.00 N ATOM 1328 CA VAL A 93 0.090 -1.640 -0.066 1.00 0.00 C ATOM 1329 C VAL A 93 1.174 -1.717 -1.138 1.00 0.00 C ATOM 1330 O VAL A 93 0.918 -1.560 -2.331 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.093 -0.175 0.416 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.594 0.701 -0.707 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.031 -0.093 1.622 1.00 0.00 C ATOM 0 H VAL A 93 0.565 -1.994 1.930 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.856 -1.981 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 93 0.885 0.191 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.715 1.722 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.125 0.688 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.554 0.326 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.135 0.947 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.009 -0.491 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.618 -0.677 2.445 1.00 0.00 H new ATOM 1343 N PHE A 94 2.393 -1.946 -0.679 1.00 0.00 N ATOM 1344 CA PHE A 94 3.503 -2.279 -1.547 1.00 0.00 C ATOM 1345 C PHE A 94 4.437 -3.247 -0.806 1.00 0.00 C ATOM 1346 O PHE A 94 4.334 -3.381 0.408 1.00 0.00 O ATOM 1347 CB PHE A 94 4.295 -1.049 -2.093 1.00 0.00 C ATOM 1348 CG PHE A 94 4.045 0.362 -1.535 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.151 0.652 -0.506 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.762 1.421 -2.082 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.982 1.946 -0.046 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.596 2.716 -1.624 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.704 2.980 -0.607 1.00 0.00 C ATOM 0 H PHE A 94 2.638 -1.905 0.310 1.00 0.00 H new ATOM 0 HA PHE A 94 3.080 -2.749 -2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.355 -1.264 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.116 -1.004 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.579 -0.148 -0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.463 1.228 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.284 2.147 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.166 3.521 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.571 3.991 -0.251 1.00 0.00 H new ATOM 1363 N CYS A 95 5.313 -3.951 -1.528 1.00 0.00 N ATOM 1364 CA CYS A 95 6.281 -4.875 -0.905 1.00 0.00 C ATOM 1365 C CYS A 95 7.555 -4.924 -1.765 1.00 0.00 C ATOM 1366 O CYS A 95 7.577 -4.371 -2.864 1.00 0.00 O ATOM 1367 CB CYS A 95 5.713 -6.306 -0.739 1.00 0.00 C ATOM 1368 SG CYS A 95 3.911 -6.414 -0.435 1.00 0.00 S ATOM 0 H CYS A 95 5.376 -3.903 -2.545 1.00 0.00 H new ATOM 0 HA CYS A 95 6.503 -4.498 0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.946 -6.876 -1.638 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.232 -6.790 0.089 1.00 0.00 H new ATOM 1373 N SER A 96 8.615 -5.568 -1.269 1.00 0.00 N ATOM 1374 CA SER A 96 9.884 -5.630 -2.008 1.00 0.00 C ATOM 1375 C SER A 96 10.358 -7.065 -2.161 1.00 0.00 C ATOM 1376 O SER A 96 10.553 -7.761 -1.168 1.00 0.00 O ATOM 1377 CB SER A 96 10.968 -4.842 -1.279 1.00 0.00 C ATOM 1378 OG SER A 96 12.094 -4.618 -2.109 1.00 0.00 O ATOM 0 H SER A 96 8.623 -6.049 -0.370 1.00 0.00 H new ATOM 0 HA SER A 96 9.706 -5.198 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.563 -3.886 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.276 -5.385 -0.385 1.00 0.00 H new ATOM 0 HG SER A 96 12.083 -3.693 -2.433 1.00 0.00 H new ATOM 1384 N SER A 97 10.566 -7.496 -3.394 1.00 0.00 N ATOM 1385 CA SER A 97 10.984 -8.864 -3.657 1.00 0.00 C ATOM 1386 C SER A 97 12.441 -8.949 -4.080 1.00 0.00 C ATOM 1387 O SER A 97 12.762 -9.110 -5.261 1.00 0.00 O ATOM 1388 CB SER A 97 10.084 -9.488 -4.712 1.00 0.00 C ATOM 1389 OG SER A 97 9.769 -8.555 -5.732 1.00 0.00 O ATOM 0 H SER A 97 10.453 -6.920 -4.228 1.00 0.00 H new ATOM 0 HA SER A 97 10.890 -9.422 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.578 -10.356 -5.149 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.166 -9.845 -4.246 1.00 0.00 H new ATOM 0 HG SER A 97 9.191 -8.982 -6.398 1.00 0.00 H new ATOM 1395 N SER A 98 13.313 -8.860 -3.097 1.00 0.00 N ATOM 1396 CA SER A 98 14.749 -8.932 -3.338 1.00 0.00 C ATOM 1397 C SER A 98 15.535 -9.027 -2.032 1.00 0.00 C ATOM 1398 O SER A 98 16.704 -8.653 -1.975 1.00 0.00 O ATOM 1399 CB SER A 98 15.210 -7.716 -4.153 1.00 0.00 C ATOM 1400 OG SER A 98 14.726 -6.502 -3.593 1.00 0.00 O ATOM 0 H SER A 98 13.056 -8.737 -2.118 1.00 0.00 H new ATOM 0 HA SER A 98 14.947 -9.840 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.299 -7.693 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 98 14.858 -7.810 -5.180 1.00 0.00 H new ATOM 0 HG SER A 98 15.037 -5.746 -4.133 1.00 0.00 H new ATOM 1406 N SER A 99 14.901 -9.544 -0.988 1.00 0.00 N ATOM 1407 CA SER A 99 15.547 -9.653 0.309 1.00 0.00 C ATOM 1408 C SER A 99 16.523 -10.823 0.318 1.00 0.00 C ATOM 1409 O SER A 99 17.744 -10.575 0.216 1.00 0.00 O ATOM 1410 CB SER A 99 14.490 -9.805 1.399 1.00 0.00 C ATOM 1411 OG SER A 99 13.652 -10.910 1.133 1.00 0.00 O ATOM 1412 OXT SER A 99 16.066 -11.985 0.381 1.00 0.00 O ATOM 0 H SER A 99 13.943 -9.893 -1.015 1.00 0.00 H new ATOM 0 HA SER A 99 16.116 -8.745 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.975 -9.935 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.892 -8.896 1.462 1.00 0.00 H new ATOM 0 HG SER A 99 12.994 -10.665 0.449 1.00 0.00 H new