USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 901 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 41 GLN : amide:sc= -2.21 K(o=-2.5,f=-17!) USER MOD Set 1.2: A 42 THR OG1 : rot -29:sc= 1.15 USER MOD Set 1.3: A 45 GLN :FLIP amide:sc= -1.41 F(o=-3.4,f=-2.5) USER MOD Single : A 8 GLN : amide:sc= -8.56! C(o=-8.6!,f=-9.5!) USER MOD Single : A 10 SER OG : rot -170:sc= -1.14 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc=-0.00558 (180deg=-0.0387) USER MOD Single : A 22 SER OG : rot 91:sc= 0.768 USER MOD Single : A 25 CYS SG : rot 65:sc= -4.34! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -104:sc= 0.0201 USER MOD Single : A 30 THR OG1 : rot 65:sc= -3.46! USER MOD Single : A 37 HIS : no HE2:sc= -4.86! C(o=-4.9!,f=-7!) USER MOD Single : A 46 ASN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 48 CYS SG : rot 105:sc= -0.24 USER MOD Single : A 53 SER OG : rot -160:sc= -0.0135 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 65 SER OG : rot -111:sc= 0.0412 USER MOD Single : A 67 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.064) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc=-0.00764 USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.127) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.128 (180deg=-0.549) USER MOD Single : A 101 MET CE :methyl -128:sc= -0.0147 (180deg=-0.707) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 CYS SG : rot -87:sc= -1.27 USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0154) USER MOD Single : A 117 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.0038) USER MOD Single : A 122 MET CE :methyl 179:sc= 0 (180deg=-0.000897) USER MOD Single : A 124 CYS SG : rot 22:sc= -0.764 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 0.333 2.772 -18.670 1.00 0.00 N ATOM 59 CA VAL A 4 1.304 3.745 -18.190 1.00 0.00 C ATOM 60 C VAL A 4 1.305 4.999 -19.061 1.00 0.00 C ATOM 61 O VAL A 4 1.475 4.922 -20.278 1.00 0.00 O ATOM 62 CB VAL A 4 2.726 3.154 -18.153 1.00 0.00 C ATOM 63 CG1 VAL A 4 2.974 2.441 -16.832 1.00 0.00 C ATOM 64 CG2 VAL A 4 2.955 2.210 -19.326 1.00 0.00 C ATOM 0 HA VAL A 4 1.007 4.012 -17.176 1.00 0.00 H new ATOM 0 HB VAL A 4 3.437 3.976 -18.239 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.984 2.030 -16.824 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.864 3.149 -16.010 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.252 1.633 -16.714 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.966 1.807 -19.276 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.236 1.392 -19.281 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.827 2.755 -20.262 1.00 0.00 H new ATOM 74 N VAL A 5 1.108 6.150 -18.426 1.00 0.00 N ATOM 75 CA VAL A 5 1.082 7.425 -19.133 1.00 0.00 C ATOM 76 C VAL A 5 2.492 7.972 -19.343 1.00 0.00 C ATOM 77 O VAL A 5 3.392 7.711 -18.543 1.00 0.00 O ATOM 78 CB VAL A 5 0.248 8.472 -18.371 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.219 8.072 -18.347 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.783 8.657 -16.957 1.00 0.00 C ATOM 0 H VAL A 5 0.964 6.225 -17.419 1.00 0.00 H new ATOM 0 HA VAL A 5 0.622 7.237 -20.103 1.00 0.00 H new ATOM 0 HB VAL A 5 0.332 9.425 -18.893 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.792 8.824 -17.804 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.593 7.998 -19.368 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.325 7.107 -17.851 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.181 9.400 -16.435 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.733 7.709 -16.422 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.818 8.995 -17.001 1.00 0.00 H new ATOM 90 N PRO A 6 2.703 8.745 -20.426 1.00 0.00 N ATOM 91 CA PRO A 6 4.000 9.338 -20.750 1.00 0.00 C ATOM 92 C PRO A 6 4.728 9.857 -19.512 1.00 0.00 C ATOM 93 O PRO A 6 5.921 9.609 -19.334 1.00 0.00 O ATOM 94 CB PRO A 6 3.648 10.498 -21.699 1.00 0.00 C ATOM 95 CG PRO A 6 2.157 10.475 -21.856 1.00 0.00 C ATOM 96 CD PRO A 6 1.696 9.113 -21.422 1.00 0.00 C ATOM 0 HA PRO A 6 4.678 8.608 -21.191 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.981 11.451 -21.288 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.142 10.376 -22.663 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.692 11.252 -21.249 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.874 10.667 -22.891 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.693 9.140 -20.996 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.670 8.409 -22.253 1.00 0.00 H new ATOM 104 N ASP A 7 4.000 10.562 -18.651 1.00 0.00 N ATOM 105 CA ASP A 7 4.570 11.094 -17.430 1.00 0.00 C ATOM 106 C ASP A 7 3.695 10.700 -16.247 1.00 0.00 C ATOM 107 O ASP A 7 2.788 11.428 -15.851 1.00 0.00 O ATOM 108 CB ASP A 7 4.710 12.614 -17.520 1.00 0.00 C ATOM 109 CG ASP A 7 5.811 13.035 -18.474 1.00 0.00 C ATOM 110 OD1 ASP A 7 5.571 13.025 -19.700 1.00 0.00 O ATOM 111 OD2 ASP A 7 6.913 13.377 -17.995 1.00 0.00 O ATOM 0 H ASP A 7 3.011 10.775 -18.782 1.00 0.00 H new ATOM 0 HA ASP A 7 5.566 10.675 -17.288 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.764 13.045 -17.848 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.918 13.017 -16.529 1.00 0.00 H new ATOM 116 N GLN A 8 3.979 9.534 -15.693 1.00 0.00 N ATOM 117 CA GLN A 8 3.231 9.022 -14.554 1.00 0.00 C ATOM 118 C GLN A 8 3.356 9.987 -13.392 1.00 0.00 C ATOM 119 O GLN A 8 2.372 10.321 -12.732 1.00 0.00 O ATOM 120 CB GLN A 8 3.751 7.640 -14.157 1.00 0.00 C ATOM 121 CG GLN A 8 3.856 6.673 -15.326 1.00 0.00 C ATOM 122 CD GLN A 8 3.499 5.251 -14.943 1.00 0.00 C ATOM 123 OE1 GLN A 8 4.304 4.537 -14.345 1.00 0.00 O ATOM 124 NE2 GLN A 8 2.287 4.831 -15.285 1.00 0.00 N ATOM 0 H GLN A 8 4.727 8.919 -16.015 1.00 0.00 H new ATOM 0 HA GLN A 8 2.180 8.927 -14.828 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.733 7.748 -13.696 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.090 7.215 -13.402 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.196 7.005 -16.128 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.872 6.695 -15.720 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.651 5.456 -15.780 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.991 3.883 -15.053 1.00 0.00 H new ATOM 133 N ARG A 9 4.575 10.456 -13.174 1.00 0.00 N ATOM 134 CA ARG A 9 4.842 11.416 -12.121 1.00 0.00 C ATOM 135 C ARG A 9 4.113 12.714 -12.419 1.00 0.00 C ATOM 136 O ARG A 9 3.818 13.485 -11.514 1.00 0.00 O ATOM 137 CB ARG A 9 6.344 11.674 -11.990 1.00 0.00 C ATOM 138 CG ARG A 9 7.179 10.406 -11.941 1.00 0.00 C ATOM 139 CD ARG A 9 8.523 10.598 -12.627 1.00 0.00 C ATOM 140 NE ARG A 9 9.374 11.544 -11.911 1.00 0.00 N ATOM 141 CZ ARG A 9 10.442 12.131 -12.446 1.00 0.00 C ATOM 142 NH1 ARG A 9 10.793 11.870 -13.699 1.00 0.00 N ATOM 143 NH2 ARG A 9 11.162 12.980 -11.726 1.00 0.00 N ATOM 0 H ARG A 9 5.396 10.185 -13.716 1.00 0.00 H new ATOM 0 HA ARG A 9 4.483 11.008 -11.176 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.674 12.283 -12.831 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.527 12.254 -11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.337 10.113 -10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.636 9.593 -12.422 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.032 9.637 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.363 10.953 -13.645 1.00 0.00 H new ATOM 0 HE ARG A 9 9.136 11.768 -10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.243 11.217 -14.257 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.612 12.323 -14.104 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.897 13.183 -10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.981 13.430 -12.136 1.00 0.00 H new ATOM 157 N SER A 10 3.819 12.952 -13.696 1.00 0.00 N ATOM 158 CA SER A 10 3.115 14.170 -14.080 1.00 0.00 C ATOM 159 C SER A 10 1.725 14.198 -13.463 1.00 0.00 C ATOM 160 O SER A 10 1.271 15.237 -12.980 1.00 0.00 O ATOM 161 CB SER A 10 3.021 14.302 -15.606 1.00 0.00 C ATOM 162 OG SER A 10 4.121 15.031 -16.124 1.00 0.00 O ATOM 0 H SER A 10 4.053 12.329 -14.469 1.00 0.00 H new ATOM 0 HA SER A 10 3.686 15.018 -13.702 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.992 13.311 -16.059 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.090 14.802 -15.874 1.00 0.00 H new ATOM 0 HG SER A 10 3.961 15.238 -17.069 1.00 0.00 H new ATOM 168 N LYS A 11 1.058 13.053 -13.467 1.00 0.00 N ATOM 169 CA LYS A 11 -0.274 12.956 -12.890 1.00 0.00 C ATOM 170 C LYS A 11 -0.185 12.726 -11.397 1.00 0.00 C ATOM 171 O LYS A 11 -0.958 13.288 -10.630 1.00 0.00 O ATOM 172 CB LYS A 11 -1.076 11.837 -13.556 1.00 0.00 C ATOM 173 CG LYS A 11 -1.446 12.131 -15.002 1.00 0.00 C ATOM 174 CD LYS A 11 -0.362 11.662 -15.961 1.00 0.00 C ATOM 175 CE LYS A 11 0.090 12.783 -16.883 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.632 12.755 -18.186 1.00 0.00 N ATOM 0 H LYS A 11 1.415 12.183 -13.861 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.793 13.898 -13.068 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.497 10.914 -13.518 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.988 11.665 -12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.387 11.638 -15.245 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.606 13.202 -15.127 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.491 11.290 -15.394 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.737 10.829 -16.556 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.077 13.744 -16.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.162 12.698 -17.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.295 13.535 -18.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.452 11.849 -18.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.653 12.862 -18.020 1.00 0.00 H new ATOM 190 N PHE A 12 0.776 11.924 -10.981 1.00 0.00 N ATOM 191 CA PHE A 12 0.958 11.664 -9.574 1.00 0.00 C ATOM 192 C PHE A 12 1.413 12.946 -8.874 1.00 0.00 C ATOM 193 O PHE A 12 1.263 13.089 -7.661 1.00 0.00 O ATOM 194 CB PHE A 12 1.961 10.513 -9.384 1.00 0.00 C ATOM 195 CG PHE A 12 2.843 10.641 -8.174 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.955 11.459 -8.210 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.558 9.943 -7.011 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.774 11.585 -7.102 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.370 10.062 -5.898 1.00 0.00 C ATOM 200 CZ PHE A 12 4.480 10.888 -5.945 1.00 0.00 C ATOM 0 H PHE A 12 1.436 11.446 -11.595 1.00 0.00 H new ATOM 0 HA PHE A 12 0.015 11.355 -9.122 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.409 9.576 -9.317 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.591 10.449 -10.271 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.188 12.006 -9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.692 9.299 -6.974 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.642 12.227 -7.141 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.139 9.513 -4.997 1.00 0.00 H new ATOM 0 HZ PHE A 12 5.116 10.988 -5.078 1.00 0.00 H new ATOM 210 N GLU A 13 1.971 13.879 -9.652 1.00 0.00 N ATOM 211 CA GLU A 13 2.445 15.147 -9.101 1.00 0.00 C ATOM 212 C GLU A 13 1.462 16.295 -9.336 1.00 0.00 C ATOM 213 O GLU A 13 1.426 17.253 -8.567 1.00 0.00 O ATOM 214 CB GLU A 13 3.818 15.507 -9.683 1.00 0.00 C ATOM 215 CG GLU A 13 3.761 16.129 -11.072 1.00 0.00 C ATOM 216 CD GLU A 13 5.103 16.106 -11.775 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.753 15.038 -11.781 1.00 0.00 O ATOM 218 OE2 GLU A 13 5.506 17.155 -12.319 1.00 0.00 O ATOM 0 H GLU A 13 2.104 13.779 -10.658 1.00 0.00 H new ATOM 0 HA GLU A 13 2.530 15.008 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.317 16.201 -9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.430 14.606 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.029 15.593 -11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.415 17.159 -10.991 1.00 0.00 H new ATOM 225 N ASN A 14 0.705 16.222 -10.428 1.00 0.00 N ATOM 226 CA ASN A 14 -0.227 17.295 -10.775 1.00 0.00 C ATOM 227 C ASN A 14 -1.671 16.988 -10.388 1.00 0.00 C ATOM 228 O ASN A 14 -2.445 17.903 -10.109 1.00 0.00 O ATOM 229 CB ASN A 14 -0.150 17.584 -12.275 1.00 0.00 C ATOM 230 CG ASN A 14 -0.654 18.973 -12.622 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.804 19.146 -13.022 1.00 0.00 O ATOM 232 ND2 ASN A 14 0.210 19.970 -12.468 1.00 0.00 N ATOM 0 H ASN A 14 0.717 15.440 -11.083 1.00 0.00 H new ATOM 0 HA ASN A 14 0.077 18.170 -10.200 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.882 17.481 -12.610 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.737 16.842 -12.816 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.071 20.926 -12.685 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.154 19.779 -12.133 1.00 0.00 H new ATOM 239 N GLU A 15 -2.046 15.715 -10.383 1.00 0.00 N ATOM 240 CA GLU A 15 -3.419 15.346 -10.040 1.00 0.00 C ATOM 241 C GLU A 15 -3.742 15.730 -8.596 1.00 0.00 C ATOM 242 O GLU A 15 -2.927 15.533 -7.695 1.00 0.00 O ATOM 243 CB GLU A 15 -3.652 13.854 -10.271 1.00 0.00 C ATOM 244 CG GLU A 15 -4.013 13.517 -11.705 1.00 0.00 C ATOM 245 CD GLU A 15 -4.582 12.119 -11.851 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.401 11.720 -10.998 1.00 0.00 O ATOM 247 OE2 GLU A 15 -4.210 11.424 -12.821 1.00 0.00 O ATOM 0 H GLU A 15 -1.433 14.931 -10.608 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.092 15.900 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.752 13.306 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.451 13.512 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.740 14.241 -12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.125 13.611 -12.331 1.00 0.00 H new ATOM 254 N GLU A 16 -4.928 16.304 -8.394 1.00 0.00 N ATOM 255 CA GLU A 16 -5.363 16.753 -7.067 1.00 0.00 C ATOM 256 C GLU A 16 -5.448 15.604 -6.069 1.00 0.00 C ATOM 257 O GLU A 16 -4.574 15.464 -5.216 1.00 0.00 O ATOM 258 CB GLU A 16 -6.706 17.487 -7.151 1.00 0.00 C ATOM 259 CG GLU A 16 -7.724 16.821 -8.064 1.00 0.00 C ATOM 260 CD GLU A 16 -8.218 17.743 -9.161 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.458 18.934 -8.872 1.00 0.00 O ATOM 262 OE2 GLU A 16 -8.365 17.275 -10.310 1.00 0.00 O ATOM 0 H GLU A 16 -5.609 16.471 -9.135 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.605 17.446 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.129 17.564 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.530 18.504 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.277 15.935 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.573 16.483 -7.469 1.00 0.00 H new ATOM 269 N PHE A 17 -6.490 14.779 -6.163 1.00 0.00 N ATOM 270 CA PHE A 17 -6.638 13.653 -5.245 1.00 0.00 C ATOM 271 C PHE A 17 -5.354 12.842 -5.229 1.00 0.00 C ATOM 272 O PHE A 17 -4.911 12.371 -4.184 1.00 0.00 O ATOM 273 CB PHE A 17 -7.842 12.781 -5.645 1.00 0.00 C ATOM 274 CG PHE A 17 -7.491 11.370 -6.041 1.00 0.00 C ATOM 275 CD1 PHE A 17 -7.164 11.066 -7.353 1.00 0.00 C ATOM 276 CD2 PHE A 17 -7.486 10.351 -5.100 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.840 9.773 -7.719 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.162 9.056 -5.462 1.00 0.00 C ATOM 279 CZ PHE A 17 -6.840 8.767 -6.773 1.00 0.00 C ATOM 0 H PHE A 17 -7.234 14.867 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.827 14.030 -4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.542 12.747 -4.810 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.360 13.259 -6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.162 11.848 -8.098 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.738 10.571 -4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.587 9.550 -8.745 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.161 8.272 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.589 7.756 -7.058 1.00 0.00 H new ATOM 289 N PHE A 18 -4.762 12.691 -6.403 1.00 0.00 N ATOM 290 CA PHE A 18 -3.538 11.950 -6.546 1.00 0.00 C ATOM 291 C PHE A 18 -2.434 12.654 -5.772 1.00 0.00 C ATOM 292 O PHE A 18 -1.504 12.019 -5.290 1.00 0.00 O ATOM 293 CB PHE A 18 -3.202 11.887 -8.021 1.00 0.00 C ATOM 294 CG PHE A 18 -2.575 10.611 -8.434 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.439 10.121 -7.827 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.172 9.891 -9.437 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.900 8.912 -8.231 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.651 8.684 -9.847 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.512 8.191 -9.244 1.00 0.00 C ATOM 0 H PHE A 18 -5.122 13.080 -7.275 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.642 10.939 -6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.114 12.038 -8.599 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.529 12.709 -8.267 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.968 10.682 -7.034 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.063 10.276 -9.912 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.006 8.532 -7.759 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.132 8.126 -10.637 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.098 7.245 -9.561 1.00 0.00 H new ATOM 309 N ARG A 19 -2.576 13.972 -5.631 1.00 0.00 N ATOM 310 CA ARG A 19 -1.626 14.773 -4.875 1.00 0.00 C ATOM 311 C ARG A 19 -1.979 14.668 -3.399 1.00 0.00 C ATOM 312 O ARG A 19 -1.190 14.179 -2.585 1.00 0.00 O ATOM 313 CB ARG A 19 -1.674 16.238 -5.318 1.00 0.00 C ATOM 314 CG ARG A 19 -0.593 16.610 -6.321 1.00 0.00 C ATOM 315 CD ARG A 19 0.098 17.910 -5.938 1.00 0.00 C ATOM 316 NE ARG A 19 -0.829 19.037 -5.912 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.214 19.708 -6.996 1.00 0.00 C ATOM 318 NH1 ARG A 19 -0.760 19.363 -8.195 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.058 20.724 -6.882 1.00 0.00 N ATOM 0 H ARG A 19 -3.346 14.506 -6.035 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.617 14.402 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.650 16.444 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.578 16.877 -4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.143 15.808 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.034 16.709 -7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.561 17.799 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.900 18.117 -6.647 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.204 19.328 -5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.113 18.580 -8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.058 19.881 -9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.413 20.992 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.353 21.238 -7.712 1.00 0.00 H new ATOM 333 N LYS A 20 -3.199 15.102 -3.069 1.00 0.00 N ATOM 334 CA LYS A 20 -3.695 15.033 -1.700 1.00 0.00 C ATOM 335 C LYS A 20 -3.393 13.658 -1.116 1.00 0.00 C ATOM 336 O LYS A 20 -3.126 13.518 0.078 1.00 0.00 O ATOM 337 CB LYS A 20 -5.202 15.307 -1.663 1.00 0.00 C ATOM 338 CG LYS A 20 -5.572 16.733 -2.046 1.00 0.00 C ATOM 339 CD LYS A 20 -6.505 16.769 -3.248 1.00 0.00 C ATOM 340 CE LYS A 20 -7.961 16.872 -2.825 1.00 0.00 C ATOM 341 NZ LYS A 20 -8.386 15.701 -2.009 1.00 0.00 N ATOM 0 H LYS A 20 -3.858 15.504 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.194 15.794 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.705 14.616 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.576 15.100 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.051 17.225 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.666 17.296 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.249 17.618 -3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.362 15.869 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.109 17.787 -2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.592 16.946 -3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.408 15.758 -1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.175 14.823 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.872 15.703 -1.105 1.00 0.00 H new ATOM 355 N LEU A 21 -3.406 12.651 -1.986 1.00 0.00 N ATOM 356 CA LEU A 21 -3.101 11.286 -1.582 1.00 0.00 C ATOM 357 C LEU A 21 -1.601 11.044 -1.711 1.00 0.00 C ATOM 358 O LEU A 21 -1.001 10.349 -0.892 1.00 0.00 O ATOM 359 CB LEU A 21 -3.877 10.277 -2.435 1.00 0.00 C ATOM 360 CG LEU A 21 -5.392 10.234 -2.201 1.00 0.00 C ATOM 361 CD1 LEU A 21 -5.963 8.913 -2.690 1.00 0.00 C ATOM 362 CD2 LEU A 21 -5.726 10.438 -0.730 1.00 0.00 C ATOM 0 H LEU A 21 -3.625 12.758 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.404 11.150 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.697 10.503 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.471 9.283 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.844 11.048 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.039 8.896 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.764 8.803 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.496 8.091 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.807 10.403 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.260 9.650 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.351 11.408 -0.403 1.00 0.00 H new ATOM 374 N SER A 22 -0.995 11.655 -2.735 1.00 0.00 N ATOM 375 CA SER A 22 0.449 11.542 -2.966 1.00 0.00 C ATOM 376 C SER A 22 1.224 11.887 -1.698 1.00 0.00 C ATOM 377 O SER A 22 2.401 11.559 -1.568 1.00 0.00 O ATOM 378 CB SER A 22 0.892 12.470 -4.098 1.00 0.00 C ATOM 379 OG SER A 22 2.299 12.645 -4.091 1.00 0.00 O ATOM 0 H SER A 22 -1.484 12.234 -3.418 1.00 0.00 H new ATOM 0 HA SER A 22 0.661 10.511 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.578 12.056 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.401 13.438 -3.993 1.00 0.00 H new ATOM 0 HG SER A 22 2.716 11.961 -4.656 1.00 0.00 H new ATOM 385 N ARG A 23 0.556 12.559 -0.769 1.00 0.00 N ATOM 386 CA ARG A 23 1.177 12.952 0.484 1.00 0.00 C ATOM 387 C ARG A 23 0.808 11.963 1.581 1.00 0.00 C ATOM 388 O ARG A 23 0.330 10.863 1.297 1.00 0.00 O ATOM 389 CB ARG A 23 0.724 14.363 0.865 1.00 0.00 C ATOM 390 CG ARG A 23 0.587 15.301 -0.326 1.00 0.00 C ATOM 391 CD ARG A 23 1.909 15.976 -0.659 1.00 0.00 C ATOM 392 NE ARG A 23 1.746 17.036 -1.651 1.00 0.00 N ATOM 393 CZ ARG A 23 1.306 18.260 -1.364 1.00 0.00 C ATOM 394 NH1 ARG A 23 0.985 18.582 -0.117 1.00 0.00 N ATOM 395 NH2 ARG A 23 1.189 19.164 -2.327 1.00 0.00 N ATOM 0 H ARG A 23 -0.419 12.843 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 23 2.260 12.950 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.234 14.301 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.439 14.787 1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.235 14.741 -1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.165 16.059 -0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.342 16.393 0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.612 15.232 -1.035 1.00 0.00 H new ATOM 0 HE ARG A 23 1.983 16.826 -2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.075 17.891 0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.649 19.521 0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.436 18.922 -3.287 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.852 20.102 -2.108 1.00 0.00 H new ATOM 409 N GLU A 24 1.049 12.349 2.827 1.00 0.00 N ATOM 410 CA GLU A 24 0.756 11.485 3.968 1.00 0.00 C ATOM 411 C GLU A 24 -0.425 12.010 4.779 1.00 0.00 C ATOM 412 O GLU A 24 -0.424 13.158 5.225 1.00 0.00 O ATOM 413 CB GLU A 24 1.987 11.358 4.867 1.00 0.00 C ATOM 414 CG GLU A 24 3.281 11.121 4.103 1.00 0.00 C ATOM 415 CD GLU A 24 4.393 12.058 4.535 1.00 0.00 C ATOM 416 OE1 GLU A 24 5.124 11.710 5.486 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.533 13.137 3.923 1.00 0.00 O ATOM 0 H GLU A 24 1.447 13.255 3.076 1.00 0.00 H new ATOM 0 HA GLU A 24 0.489 10.503 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.087 12.266 5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.832 10.536 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.602 10.090 4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.097 11.248 3.036 1.00 0.00 H new ATOM 424 N CYS A 25 -1.428 11.156 4.975 1.00 0.00 N ATOM 425 CA CYS A 25 -2.613 11.528 5.744 1.00 0.00 C ATOM 426 C CYS A 25 -3.231 10.320 6.441 1.00 0.00 C ATOM 427 O CYS A 25 -2.996 9.173 6.062 1.00 0.00 O ATOM 428 CB CYS A 25 -3.644 12.238 4.859 1.00 0.00 C ATOM 429 SG CYS A 25 -3.615 11.746 3.119 1.00 0.00 S ATOM 0 H CYS A 25 -1.443 10.203 4.612 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.294 12.226 6.518 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.639 12.047 5.260 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.477 13.313 4.921 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.957 10.496 3.016 1.00 0.00 H new ATOM 435 N GLU A 26 -4.000 10.603 7.487 1.00 0.00 N ATOM 436 CA GLU A 26 -4.646 9.572 8.294 1.00 0.00 C ATOM 437 C GLU A 26 -5.406 8.546 7.456 1.00 0.00 C ATOM 438 O GLU A 26 -6.061 8.878 6.468 1.00 0.00 O ATOM 439 CB GLU A 26 -5.602 10.217 9.299 1.00 0.00 C ATOM 440 CG GLU A 26 -4.991 11.386 10.056 1.00 0.00 C ATOM 441 CD GLU A 26 -5.012 11.183 11.559 1.00 0.00 C ATOM 442 OE1 GLU A 26 -4.930 10.018 12.003 1.00 0.00 O ATOM 443 OE2 GLU A 26 -5.107 12.189 12.293 1.00 0.00 O ATOM 0 H GLU A 26 -4.194 11.554 7.800 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.850 9.038 8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.492 10.561 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.928 9.462 10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.962 11.529 9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.534 12.298 9.809 1.00 0.00 H new ATOM 450 N ILE A 27 -5.323 7.293 7.895 1.00 0.00 N ATOM 451 CA ILE A 27 -6.009 6.182 7.240 1.00 0.00 C ATOM 452 C ILE A 27 -6.841 5.400 8.258 1.00 0.00 C ATOM 453 O ILE A 27 -6.679 5.580 9.465 1.00 0.00 O ATOM 454 CB ILE A 27 -5.021 5.219 6.551 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.026 4.651 7.567 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.287 5.930 5.423 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.159 3.541 7.010 1.00 0.00 C ATOM 0 H ILE A 27 -4.779 7.019 8.713 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.657 6.611 6.476 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.586 4.390 6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.385 5.457 7.925 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.575 4.274 8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.593 5.237 4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.008 6.285 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.733 6.778 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.479 3.187 7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.791 2.717 6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.582 3.919 6.166 1.00 0.00 H new ATOM 469 N LYS A 28 -7.734 4.539 7.775 1.00 0.00 N ATOM 470 CA LYS A 28 -8.585 3.748 8.665 1.00 0.00 C ATOM 471 C LYS A 28 -9.093 2.483 7.973 1.00 0.00 C ATOM 472 O LYS A 28 -9.100 2.397 6.746 1.00 0.00 O ATOM 473 CB LYS A 28 -9.771 4.593 9.142 1.00 0.00 C ATOM 474 CG LYS A 28 -10.806 3.813 9.937 1.00 0.00 C ATOM 475 CD LYS A 28 -11.765 4.740 10.664 1.00 0.00 C ATOM 476 CE LYS A 28 -11.034 5.629 11.658 1.00 0.00 C ATOM 477 NZ LYS A 28 -11.900 6.003 12.810 1.00 0.00 N ATOM 0 H LYS A 28 -7.888 4.371 6.781 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.984 3.445 9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.397 5.411 9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.256 5.042 8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.366 3.162 9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.303 3.170 10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.293 5.360 9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.517 4.150 11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.147 5.112 12.024 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.691 6.532 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.365 6.609 13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.734 6.519 12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.207 5.143 13.307 1.00 0.00 H new ATOM 491 N TYR A 29 -9.518 1.504 8.771 1.00 0.00 N ATOM 492 CA TYR A 29 -10.030 0.245 8.232 1.00 0.00 C ATOM 493 C TYR A 29 -11.491 0.380 7.807 1.00 0.00 C ATOM 494 O TYR A 29 -12.342 0.788 8.596 1.00 0.00 O ATOM 495 CB TYR A 29 -9.888 -0.877 9.264 1.00 0.00 C ATOM 496 CG TYR A 29 -9.371 -2.178 8.685 1.00 0.00 C ATOM 497 CD1 TYR A 29 -8.383 -2.186 7.708 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.874 -3.398 9.118 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.913 -3.373 7.179 1.00 0.00 C ATOM 500 CE2 TYR A 29 -9.408 -4.588 8.594 1.00 0.00 C ATOM 501 CZ TYR A 29 -8.429 -4.570 7.624 1.00 0.00 C ATOM 502 OH TYR A 29 -7.964 -5.753 7.099 1.00 0.00 O ATOM 0 H TYR A 29 -9.518 1.558 9.790 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.438 -0.005 7.351 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.213 -0.548 10.054 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.858 -1.056 9.728 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.976 -1.250 7.356 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.642 -3.417 9.877 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.145 -3.362 6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.809 -5.528 8.943 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.623 -6.113 6.470 1.00 0.00 H new ATOM 512 N THR A 30 -11.771 0.026 6.553 1.00 0.00 N ATOM 513 CA THR A 30 -13.128 0.098 6.013 1.00 0.00 C ATOM 514 C THR A 30 -13.307 -0.900 4.870 1.00 0.00 C ATOM 515 O THR A 30 -13.987 -0.615 3.885 1.00 0.00 O ATOM 516 CB THR A 30 -13.442 1.514 5.519 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.919 1.720 4.219 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.894 2.604 6.415 1.00 0.00 C ATOM 0 H THR A 30 -11.074 -0.314 5.891 1.00 0.00 H new ATOM 0 HA THR A 30 -13.821 -0.156 6.815 1.00 0.00 H new ATOM 0 HB THR A 30 -14.530 1.582 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.378 1.130 3.585 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.155 3.579 6.003 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.323 2.505 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.809 2.514 6.476 1.00 0.00 H new ATOM 526 N GLY A 31 -12.688 -2.070 5.008 1.00 0.00 N ATOM 527 CA GLY A 31 -12.789 -3.089 3.979 1.00 0.00 C ATOM 528 C GLY A 31 -13.727 -4.217 4.362 1.00 0.00 C ATOM 529 O GLY A 31 -14.910 -4.191 4.022 1.00 0.00 O ATOM 0 H GLY A 31 -12.119 -2.330 5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.137 -2.631 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.798 -3.498 3.780 1.00 0.00 H new ATOM 533 N PHE A 32 -13.202 -5.208 5.075 1.00 0.00 N ATOM 534 CA PHE A 32 -14.005 -6.348 5.511 1.00 0.00 C ATOM 535 C PHE A 32 -14.275 -6.283 7.011 1.00 0.00 C ATOM 536 O PHE A 32 -14.759 -7.242 7.609 1.00 0.00 O ATOM 537 CB PHE A 32 -13.309 -7.669 5.168 1.00 0.00 C ATOM 538 CG PHE A 32 -11.807 -7.605 5.218 1.00 0.00 C ATOM 539 CD1 PHE A 32 -11.124 -7.864 6.396 1.00 0.00 C ATOM 540 CD2 PHE A 32 -11.081 -7.294 4.082 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.740 -7.814 6.439 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.700 -7.241 4.117 1.00 0.00 C ATOM 543 CZ PHE A 32 -9.030 -7.501 5.296 1.00 0.00 C ATOM 0 H PHE A 32 -12.224 -5.246 5.364 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.956 -6.303 4.981 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.652 -8.438 5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.615 -7.980 4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.677 -8.108 7.291 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.599 -7.090 3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.218 -8.019 7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.146 -6.996 3.223 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.951 -7.460 5.325 1.00 0.00 H new ATOM 553 N ARG A 33 -13.946 -5.145 7.610 1.00 0.00 N ATOM 554 CA ARG A 33 -14.132 -4.940 9.040 1.00 0.00 C ATOM 555 C ARG A 33 -15.517 -4.394 9.361 1.00 0.00 C ATOM 556 O ARG A 33 -15.916 -4.338 10.525 1.00 0.00 O ATOM 557 CB ARG A 33 -13.040 -4.005 9.561 1.00 0.00 C ATOM 558 CG ARG A 33 -13.500 -2.575 9.801 1.00 0.00 C ATOM 559 CD ARG A 33 -14.011 -1.931 8.525 1.00 0.00 C ATOM 560 NE ARG A 33 -15.242 -1.175 8.745 1.00 0.00 N ATOM 561 CZ ARG A 33 -15.338 -0.128 9.563 1.00 0.00 C ATOM 562 NH1 ARG A 33 -14.275 0.309 10.227 1.00 0.00 N ATOM 563 NH2 ARG A 33 -16.503 0.489 9.712 1.00 0.00 N ATOM 0 H ARG A 33 -13.546 -4.344 7.122 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.053 -5.905 9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.647 -4.409 10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.217 -3.994 8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.288 -2.567 10.554 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.673 -1.988 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.246 -1.267 8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.189 -2.703 7.776 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.079 -1.467 8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.375 -0.158 10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.358 1.111 10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.323 0.161 9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.579 1.291 10.338 1.00 0.00 H new ATOM 577 N ASP A 34 -16.246 -3.994 8.331 1.00 0.00 N ATOM 578 CA ASP A 34 -17.589 -3.452 8.507 1.00 0.00 C ATOM 579 C ASP A 34 -18.471 -4.377 9.351 1.00 0.00 C ATOM 580 O ASP A 34 -19.576 -3.996 9.739 1.00 0.00 O ATOM 581 CB ASP A 34 -18.243 -3.215 7.144 1.00 0.00 C ATOM 582 CG ASP A 34 -17.463 -2.230 6.294 1.00 0.00 C ATOM 583 OD1 ASP A 34 -17.501 -1.020 6.602 1.00 0.00 O ATOM 584 OD2 ASP A 34 -16.816 -2.670 5.321 1.00 0.00 O ATOM 0 H ASP A 34 -15.932 -4.034 7.361 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.494 -2.505 9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.325 -4.164 6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.257 -2.842 7.290 1.00 0.00 H new ATOM 589 N ARG A 35 -17.991 -5.591 9.641 1.00 0.00 N ATOM 590 CA ARG A 35 -18.764 -6.532 10.444 1.00 0.00 C ATOM 591 C ARG A 35 -17.933 -7.091 11.607 1.00 0.00 C ATOM 592 O ARG A 35 -18.260 -6.846 12.769 1.00 0.00 O ATOM 593 CB ARG A 35 -19.331 -7.661 9.571 1.00 0.00 C ATOM 594 CG ARG A 35 -19.458 -7.295 8.097 1.00 0.00 C ATOM 595 CD ARG A 35 -18.126 -7.395 7.361 1.00 0.00 C ATOM 596 NE ARG A 35 -17.853 -8.760 6.915 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.085 -9.061 5.869 1.00 0.00 C ATOM 598 NH1 ARG A 35 -16.507 -8.100 5.160 1.00 0.00 N ATOM 599 NH2 ARG A 35 -16.896 -10.329 5.532 1.00 0.00 N ATOM 0 H ARG A 35 -17.082 -5.938 9.334 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.604 -5.988 10.876 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.689 -8.537 9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.313 -7.944 9.951 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -20.184 -7.955 7.622 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.845 -6.280 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -18.135 -6.726 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -17.322 -7.059 8.017 1.00 0.00 H new ATOM 0 HE ARG A 35 -18.276 -9.528 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.649 -7.123 5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.920 -8.339 4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.338 -11.072 6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.308 -10.562 4.731 1.00 0.00 H new ATOM 613 N PRO A 36 -16.848 -7.847 11.332 1.00 0.00 N ATOM 614 CA PRO A 36 -15.997 -8.421 12.361 1.00 0.00 C ATOM 615 C PRO A 36 -14.728 -7.603 12.582 1.00 0.00 C ATOM 616 O PRO A 36 -13.626 -8.137 12.552 1.00 0.00 O ATOM 617 CB PRO A 36 -15.651 -9.781 11.754 1.00 0.00 C ATOM 618 CG PRO A 36 -15.734 -9.589 10.264 1.00 0.00 C ATOM 619 CD PRO A 36 -16.342 -8.226 10.011 1.00 0.00 C ATOM 0 HA PRO A 36 -16.478 -8.463 13.338 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.653 -10.102 12.053 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.347 -10.549 12.090 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.744 -9.656 9.814 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.344 -10.370 9.811 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.603 -7.515 9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.140 -8.270 9.270 1.00 0.00 H new ATOM 627 N HIS A 37 -14.894 -6.301 12.786 1.00 0.00 N ATOM 628 CA HIS A 37 -13.761 -5.397 12.990 1.00 0.00 C ATOM 629 C HIS A 37 -12.776 -5.924 14.039 1.00 0.00 C ATOM 630 O HIS A 37 -11.561 -5.845 13.852 1.00 0.00 O ATOM 631 CB HIS A 37 -14.271 -4.010 13.394 1.00 0.00 C ATOM 632 CG HIS A 37 -13.185 -3.027 13.716 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.492 -3.039 14.908 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.683 -1.987 13.002 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.616 -2.051 14.915 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.711 -1.398 13.771 1.00 0.00 N ATOM 0 H HIS A 37 -15.805 -5.843 12.815 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.219 -5.331 12.046 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.881 -3.609 12.584 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.922 -4.113 14.262 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.634 -3.707 15.666 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.991 -1.680 12.013 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.936 -1.816 15.721 1.00 0.00 H new ATOM 645 N GLU A 38 -13.298 -6.440 15.146 1.00 0.00 N ATOM 646 CA GLU A 38 -12.450 -6.948 16.223 1.00 0.00 C ATOM 647 C GLU A 38 -11.606 -8.140 15.781 1.00 0.00 C ATOM 648 O GLU A 38 -10.450 -8.266 16.180 1.00 0.00 O ATOM 649 CB GLU A 38 -13.299 -7.329 17.438 1.00 0.00 C ATOM 650 CG GLU A 38 -13.438 -6.209 18.456 1.00 0.00 C ATOM 651 CD GLU A 38 -13.783 -6.722 19.841 1.00 0.00 C ATOM 652 OE1 GLU A 38 -13.331 -7.832 20.193 1.00 0.00 O ATOM 653 OE2 GLU A 38 -14.506 -6.014 20.573 1.00 0.00 O ATOM 0 H GLU A 38 -14.299 -6.518 15.323 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.766 -6.145 16.497 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.291 -7.626 17.099 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.855 -8.198 17.924 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.505 -5.647 18.502 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.212 -5.516 18.126 1.00 0.00 H new ATOM 660 N GLU A 39 -12.166 -8.998 14.941 1.00 0.00 N ATOM 661 CA GLU A 39 -11.424 -10.148 14.440 1.00 0.00 C ATOM 662 C GLU A 39 -10.627 -9.707 13.240 1.00 0.00 C ATOM 663 O GLU A 39 -9.473 -10.088 13.044 1.00 0.00 O ATOM 664 CB GLU A 39 -12.365 -11.286 14.052 1.00 0.00 C ATOM 665 CG GLU A 39 -11.855 -12.663 14.447 1.00 0.00 C ATOM 666 CD GLU A 39 -12.727 -13.332 15.491 1.00 0.00 C ATOM 667 OE1 GLU A 39 -13.926 -13.551 15.212 1.00 0.00 O ATOM 668 OE2 GLU A 39 -12.213 -13.640 16.587 1.00 0.00 O ATOM 0 H GLU A 39 -13.122 -8.922 14.594 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.763 -10.521 15.223 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.335 -11.119 14.521 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.524 -11.263 12.974 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.806 -13.296 13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.839 -12.573 14.831 1.00 0.00 H new ATOM 675 N ARG A 40 -11.277 -8.870 12.456 1.00 0.00 N ATOM 676 CA ARG A 40 -10.696 -8.302 11.269 1.00 0.00 C ATOM 677 C ARG A 40 -9.387 -7.605 11.611 1.00 0.00 C ATOM 678 O ARG A 40 -8.508 -7.466 10.761 1.00 0.00 O ATOM 679 CB ARG A 40 -11.691 -7.319 10.657 1.00 0.00 C ATOM 680 CG ARG A 40 -12.759 -7.945 9.754 1.00 0.00 C ATOM 681 CD ARG A 40 -12.361 -9.304 9.191 1.00 0.00 C ATOM 682 NE ARG A 40 -12.669 -10.400 10.112 1.00 0.00 N ATOM 683 CZ ARG A 40 -13.032 -11.621 9.719 1.00 0.00 C ATOM 684 NH1 ARG A 40 -13.092 -11.924 8.427 1.00 0.00 N ATOM 685 NH2 ARG A 40 -13.327 -12.549 10.621 1.00 0.00 N ATOM 0 H ARG A 40 -12.234 -8.565 12.633 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.478 -9.089 10.547 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.190 -6.783 11.464 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.137 -6.580 10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.684 -8.052 10.320 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.968 -7.266 8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.880 -9.469 8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.293 -9.305 8.972 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.602 -10.218 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.859 -11.220 7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.371 -12.861 8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.276 -12.328 11.615 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.605 -13.483 10.320 1.00 0.00 H new ATOM 699 N GLN A 41 -9.243 -7.193 12.876 1.00 0.00 N ATOM 700 CA GLN A 41 -8.012 -6.548 13.313 1.00 0.00 C ATOM 701 C GLN A 41 -6.864 -7.525 13.113 1.00 0.00 C ATOM 702 O GLN A 41 -5.768 -7.153 12.689 1.00 0.00 O ATOM 703 CB GLN A 41 -8.109 -6.106 14.779 1.00 0.00 C ATOM 704 CG GLN A 41 -7.972 -7.239 15.784 1.00 0.00 C ATOM 705 CD GLN A 41 -6.530 -7.495 16.182 1.00 0.00 C ATOM 706 OE1 GLN A 41 -5.827 -8.275 15.539 1.00 0.00 O ATOM 707 NE2 GLN A 41 -6.084 -6.838 17.246 1.00 0.00 N ATOM 0 H GLN A 41 -9.954 -7.295 13.600 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.839 -5.649 12.722 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.333 -5.366 14.975 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.068 -5.612 14.935 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.554 -7.002 16.675 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.395 -8.149 15.359 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.702 -6.201 17.748 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.123 -6.970 17.561 1.00 0.00 H new ATOM 716 N THR A 42 -7.155 -8.795 13.380 1.00 0.00 N ATOM 717 CA THR A 42 -6.187 -9.857 13.193 1.00 0.00 C ATOM 718 C THR A 42 -6.157 -10.232 11.724 1.00 0.00 C ATOM 719 O THR A 42 -5.103 -10.556 11.182 1.00 0.00 O ATOM 720 CB THR A 42 -6.540 -11.074 14.050 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.595 -10.724 15.420 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.554 -12.212 13.905 1.00 0.00 C ATOM 0 H THR A 42 -8.061 -9.109 13.728 1.00 0.00 H new ATOM 0 HA THR A 42 -5.202 -9.510 13.506 1.00 0.00 H new ATOM 0 HB THR A 42 -7.513 -11.409 13.690 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.980 -9.981 15.593 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.862 -13.043 14.539 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.526 -12.539 12.866 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.562 -11.875 14.206 1.00 0.00 H new ATOM 730 N ARG A 43 -7.318 -10.152 11.069 1.00 0.00 N ATOM 731 CA ARG A 43 -7.380 -10.458 9.644 1.00 0.00 C ATOM 732 C ARG A 43 -6.418 -9.554 8.893 1.00 0.00 C ATOM 733 O ARG A 43 -5.771 -9.975 7.935 1.00 0.00 O ATOM 734 CB ARG A 43 -8.792 -10.270 9.091 1.00 0.00 C ATOM 735 CG ARG A 43 -9.813 -11.253 9.640 1.00 0.00 C ATOM 736 CD ARG A 43 -9.342 -12.695 9.518 1.00 0.00 C ATOM 737 NE ARG A 43 -9.342 -13.153 8.130 1.00 0.00 N ATOM 738 CZ ARG A 43 -9.388 -14.433 7.771 1.00 0.00 C ATOM 739 NH1 ARG A 43 -9.425 -15.388 8.692 1.00 0.00 N ATOM 740 NH2 ARG A 43 -9.396 -14.760 6.486 1.00 0.00 N ATOM 0 H ARG A 43 -8.206 -9.884 11.493 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.101 -11.503 9.508 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.125 -9.256 9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.760 -10.365 8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.010 -11.024 10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.755 -11.133 9.105 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.337 -12.785 9.930 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.989 -13.340 10.113 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.304 -12.449 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.418 -15.142 9.682 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.460 -16.368 8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.367 -14.030 5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.431 -15.741 6.210 1.00 0.00 H new ATOM 754 N PHE A 44 -6.316 -8.311 9.355 1.00 0.00 N ATOM 755 CA PHE A 44 -5.420 -7.342 8.752 1.00 0.00 C ATOM 756 C PHE A 44 -3.971 -7.716 9.068 1.00 0.00 C ATOM 757 O PHE A 44 -3.156 -7.910 8.167 1.00 0.00 O ATOM 758 CB PHE A 44 -5.742 -5.938 9.272 1.00 0.00 C ATOM 759 CG PHE A 44 -4.527 -5.125 9.588 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.761 -4.586 8.572 1.00 0.00 C ATOM 761 CD2 PHE A 44 -4.145 -4.920 10.899 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.631 -3.849 8.856 1.00 0.00 C ATOM 763 CE2 PHE A 44 -3.015 -4.185 11.196 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.256 -3.649 10.174 1.00 0.00 C ATOM 0 H PHE A 44 -6.848 -7.954 10.149 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.555 -7.347 7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.338 -5.411 8.527 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.356 -6.023 10.169 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.051 -4.744 7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.736 -5.339 11.700 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.041 -3.430 8.054 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.725 -4.029 12.225 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.371 -3.074 10.403 1.00 0.00 H new ATOM 774 N GLN A 45 -3.665 -7.819 10.364 1.00 0.00 N ATOM 775 CA GLN A 45 -2.321 -8.176 10.812 1.00 0.00 C ATOM 776 C GLN A 45 -1.892 -9.515 10.220 1.00 0.00 C ATOM 777 O GLN A 45 -0.707 -9.756 9.989 1.00 0.00 O ATOM 778 CB GLN A 45 -2.272 -8.247 12.339 1.00 0.00 C ATOM 779 CG GLN A 45 -2.503 -6.907 13.019 1.00 0.00 C ATOM 780 CD GLN A 45 -2.550 -7.023 14.530 1.00 0.00 C ATOM 781 OE1 GLN A 45 -3.683 -6.653 15.117 1.00 0.00 O flip ATOM 782 NE2 GLN A 45 -1.580 -7.438 15.163 1.00 0.00 N flip ATOM 0 H GLN A 45 -4.331 -7.660 11.120 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.632 -7.405 10.467 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.025 -8.955 12.686 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.302 -8.638 12.645 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.708 -6.217 12.735 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.439 -6.478 12.661 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.729 -7.711 14.671 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.627 -7.509 16.179 1.00 0.00 H new ATOM 791 N ASN A 46 -2.871 -10.373 9.961 1.00 0.00 N ATOM 792 CA ASN A 46 -2.612 -11.684 9.375 1.00 0.00 C ATOM 793 C ASN A 46 -2.478 -11.551 7.867 1.00 0.00 C ATOM 794 O ASN A 46 -1.817 -12.357 7.211 1.00 0.00 O ATOM 795 CB ASN A 46 -3.732 -12.667 9.723 1.00 0.00 C ATOM 796 CG ASN A 46 -3.252 -14.106 9.740 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.612 -14.903 8.875 1.00 0.00 O ATOM 798 ND2 ASN A 46 -2.433 -14.444 10.729 1.00 0.00 N ATOM 0 H ASN A 46 -3.856 -10.184 10.148 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.681 -12.074 9.787 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.145 -12.413 10.699 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.540 -12.565 8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.076 -15.398 10.793 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.160 -13.750 11.425 1.00 0.00 H new ATOM 805 N ALA A 47 -3.085 -10.499 7.329 1.00 0.00 N ATOM 806 CA ALA A 47 -3.012 -10.217 5.910 1.00 0.00 C ATOM 807 C ALA A 47 -1.620 -9.709 5.589 1.00 0.00 C ATOM 808 O ALA A 47 -1.092 -9.931 4.499 1.00 0.00 O ATOM 809 CB ALA A 47 -4.068 -9.199 5.505 1.00 0.00 C ATOM 0 H ALA A 47 -3.635 -9.826 7.863 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.208 -11.128 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.993 -9.003 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.059 -9.592 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.909 -8.272 6.055 1.00 0.00 H new ATOM 815 N CYS A 48 -1.012 -9.058 6.579 1.00 0.00 N ATOM 816 CA CYS A 48 0.346 -8.557 6.433 1.00 0.00 C ATOM 817 C CYS A 48 1.303 -9.736 6.366 1.00 0.00 C ATOM 818 O CYS A 48 2.422 -9.620 5.865 1.00 0.00 O ATOM 819 CB CYS A 48 0.713 -7.639 7.601 1.00 0.00 C ATOM 820 SG CYS A 48 0.213 -5.916 7.371 1.00 0.00 S ATOM 0 H CYS A 48 -1.439 -8.868 7.486 1.00 0.00 H new ATOM 0 HA CYS A 48 0.418 -7.974 5.515 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.250 -8.022 8.510 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.792 -7.676 7.753 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.821 -5.661 8.116 1.00 0.00 H new ATOM 826 N ARG A 49 0.840 -10.883 6.861 1.00 0.00 N ATOM 827 CA ARG A 49 1.638 -12.097 6.842 1.00 0.00 C ATOM 828 C ARG A 49 1.595 -12.733 5.449 1.00 0.00 C ATOM 829 O ARG A 49 2.337 -13.673 5.161 1.00 0.00 O ATOM 830 CB ARG A 49 1.132 -13.072 7.917 1.00 0.00 C ATOM 831 CG ARG A 49 1.166 -14.537 7.512 1.00 0.00 C ATOM 832 CD ARG A 49 0.897 -15.447 8.701 1.00 0.00 C ATOM 833 NE ARG A 49 1.785 -16.608 8.715 1.00 0.00 N ATOM 834 CZ ARG A 49 1.528 -17.750 8.081 1.00 0.00 C ATOM 835 NH1 ARG A 49 0.417 -17.889 7.367 1.00 0.00 N ATOM 836 NH2 ARG A 49 2.387 -18.758 8.158 1.00 0.00 N ATOM 0 H ARG A 49 -0.084 -10.992 7.279 1.00 0.00 H new ATOM 0 HA ARG A 49 2.676 -11.852 7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.734 -12.944 8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.108 -12.805 8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.422 -14.719 6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.139 -14.775 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.024 -14.883 9.625 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.139 -15.784 8.672 1.00 0.00 H new ATOM 0 HE ARG A 49 2.655 -16.539 9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.247 -17.117 7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.228 -18.767 6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.244 -18.658 8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.191 -19.633 7.673 1.00 0.00 H new ATOM 850 N ASP A 50 0.724 -12.204 4.587 1.00 0.00 N ATOM 851 CA ASP A 50 0.586 -12.706 3.226 1.00 0.00 C ATOM 852 C ASP A 50 0.911 -11.614 2.203 1.00 0.00 C ATOM 853 O ASP A 50 0.698 -11.795 1.004 1.00 0.00 O ATOM 854 CB ASP A 50 -0.834 -13.228 2.995 1.00 0.00 C ATOM 855 CG ASP A 50 -1.078 -14.560 3.678 1.00 0.00 C ATOM 856 OD1 ASP A 50 -0.264 -15.486 3.481 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.083 -14.676 4.410 1.00 0.00 O ATOM 0 H ASP A 50 0.104 -11.426 4.812 1.00 0.00 H new ATOM 0 HA ASP A 50 1.295 -13.524 3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.552 -12.496 3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.010 -13.334 1.924 1.00 0.00 H new ATOM 862 N GLY A 51 1.436 -10.487 2.683 1.00 0.00 N ATOM 863 CA GLY A 51 1.789 -9.391 1.797 1.00 0.00 C ATOM 864 C GLY A 51 0.592 -8.795 1.083 1.00 0.00 C ATOM 865 O GLY A 51 0.709 -8.321 -0.045 1.00 0.00 O ATOM 0 H GLY A 51 1.623 -10.315 3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.286 -8.611 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.506 -9.746 1.057 1.00 0.00 H new ATOM 869 N ARG A 52 -0.559 -8.819 1.741 1.00 0.00 N ATOM 870 CA ARG A 52 -1.782 -8.275 1.167 1.00 0.00 C ATOM 871 C ARG A 52 -2.722 -7.757 2.239 1.00 0.00 C ATOM 872 O ARG A 52 -3.043 -8.461 3.193 1.00 0.00 O ATOM 873 CB ARG A 52 -2.485 -9.331 0.329 1.00 0.00 C ATOM 874 CG ARG A 52 -1.926 -9.411 -1.070 1.00 0.00 C ATOM 875 CD ARG A 52 -1.365 -10.790 -1.373 1.00 0.00 C ATOM 876 NE ARG A 52 -2.419 -11.790 -1.527 1.00 0.00 N ATOM 877 CZ ARG A 52 -2.220 -13.103 -1.419 1.00 0.00 C ATOM 878 NH1 ARG A 52 -1.006 -13.577 -1.162 1.00 0.00 N ATOM 879 NH2 ARG A 52 -3.235 -13.942 -1.568 1.00 0.00 N ATOM 0 H ARG A 52 -0.671 -9.211 2.676 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.502 -7.435 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.387 -10.302 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.550 -9.105 0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.709 -9.171 -1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.141 -8.664 -1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.771 -10.747 -2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.693 -11.092 -0.569 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.364 -11.463 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.222 -12.935 -1.047 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.858 -14.583 -1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.169 -13.583 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.082 -14.947 -1.485 1.00 0.00 H new ATOM 893 N SER A 53 -3.170 -6.523 2.063 1.00 0.00 N ATOM 894 CA SER A 53 -4.090 -5.902 3.010 1.00 0.00 C ATOM 895 C SER A 53 -5.096 -5.001 2.304 1.00 0.00 C ATOM 896 O SER A 53 -4.909 -4.618 1.145 1.00 0.00 O ATOM 897 CB SER A 53 -3.328 -5.094 4.054 1.00 0.00 C ATOM 898 OG SER A 53 -4.140 -4.825 5.183 1.00 0.00 O ATOM 0 H SER A 53 -2.913 -5.930 1.274 1.00 0.00 H new ATOM 0 HA SER A 53 -4.634 -6.707 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.438 -5.642 4.364 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.988 -4.156 3.615 1.00 0.00 H new ATOM 0 HG SER A 53 -3.768 -4.066 5.680 1.00 0.00 H new ATOM 904 N GLU A 54 -6.148 -4.646 3.028 1.00 0.00 N ATOM 905 CA GLU A 54 -7.185 -3.767 2.509 1.00 0.00 C ATOM 906 C GLU A 54 -7.434 -2.640 3.501 1.00 0.00 C ATOM 907 O GLU A 54 -8.125 -2.823 4.502 1.00 0.00 O ATOM 908 CB GLU A 54 -8.477 -4.547 2.261 1.00 0.00 C ATOM 909 CG GLU A 54 -9.415 -3.873 1.273 1.00 0.00 C ATOM 910 CD GLU A 54 -10.366 -4.851 0.612 1.00 0.00 C ATOM 911 OE1 GLU A 54 -9.922 -5.597 -0.285 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.556 -4.871 0.992 1.00 0.00 O ATOM 0 H GLU A 54 -6.306 -4.957 3.986 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.853 -3.348 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.226 -5.541 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.998 -4.682 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.991 -3.105 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.827 -3.369 0.506 1.00 0.00 H new ATOM 919 N ILE A 55 -6.847 -1.482 3.229 1.00 0.00 N ATOM 920 CA ILE A 55 -6.986 -0.335 4.115 1.00 0.00 C ATOM 921 C ILE A 55 -7.737 0.809 3.446 1.00 0.00 C ATOM 922 O ILE A 55 -7.706 0.961 2.224 1.00 0.00 O ATOM 923 CB ILE A 55 -5.607 0.177 4.577 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.714 -0.994 4.993 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.759 1.163 5.723 1.00 0.00 C ATOM 926 CD1 ILE A 55 -3.906 -1.573 3.853 1.00 0.00 C ATOM 0 H ILE A 55 -6.272 -1.313 2.404 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.559 -0.676 4.978 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.134 0.693 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.034 -0.661 5.777 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.336 -1.780 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.775 1.513 6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.359 2.012 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.252 0.672 6.562 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.297 -2.398 4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.580 -1.937 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.258 -0.801 3.438 1.00 0.00 H new ATOM 938 N ALA A 56 -8.395 1.619 4.263 1.00 0.00 N ATOM 939 CA ALA A 56 -9.145 2.766 3.771 1.00 0.00 C ATOM 940 C ALA A 56 -8.344 4.042 3.977 1.00 0.00 C ATOM 941 O ALA A 56 -7.489 4.109 4.861 1.00 0.00 O ATOM 942 CB ALA A 56 -10.491 2.864 4.469 1.00 0.00 C ATOM 0 H ALA A 56 -8.425 1.502 5.276 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.323 2.633 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.037 3.727 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.066 1.958 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.337 2.977 5.542 1.00 0.00 H new ATOM 948 N PHE A 57 -8.608 5.048 3.156 1.00 0.00 N ATOM 949 CA PHE A 57 -7.886 6.307 3.260 1.00 0.00 C ATOM 950 C PHE A 57 -8.823 7.413 3.742 1.00 0.00 C ATOM 951 O PHE A 57 -9.865 7.662 3.134 1.00 0.00 O ATOM 952 CB PHE A 57 -7.292 6.665 1.896 1.00 0.00 C ATOM 953 CG PHE A 57 -5.989 7.411 1.967 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.618 8.095 3.113 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.124 7.406 0.886 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.412 8.762 3.177 1.00 0.00 C ATOM 957 CE2 PHE A 57 -3.916 8.070 0.944 1.00 0.00 C ATOM 958 CZ PHE A 57 -3.559 8.750 2.091 1.00 0.00 C ATOM 0 H PHE A 57 -9.310 5.018 2.417 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.078 6.203 3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.142 5.748 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.014 7.268 1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.280 8.106 3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.398 6.876 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.135 9.293 4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.251 8.058 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.615 9.272 2.139 1.00 0.00 H new ATOM 968 N VAL A 58 -8.460 8.067 4.843 1.00 0.00 N ATOM 969 CA VAL A 58 -9.285 9.133 5.406 1.00 0.00 C ATOM 970 C VAL A 58 -9.192 10.413 4.582 1.00 0.00 C ATOM 971 O VAL A 58 -10.117 11.225 4.576 1.00 0.00 O ATOM 972 CB VAL A 58 -8.889 9.447 6.861 1.00 0.00 C ATOM 973 CG1 VAL A 58 -9.910 10.373 7.503 1.00 0.00 C ATOM 974 CG2 VAL A 58 -8.738 8.163 7.667 1.00 0.00 C ATOM 0 H VAL A 58 -7.602 7.878 5.362 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.312 8.768 5.384 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.925 9.956 6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.614 10.584 8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.960 11.306 6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.889 9.894 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.458 8.407 8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.684 7.621 7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.964 7.541 7.218 1.00 0.00 H new ATOM 984 N ALA A 59 -8.071 10.592 3.889 1.00 0.00 N ATOM 985 CA ALA A 59 -7.859 11.778 3.063 1.00 0.00 C ATOM 986 C ALA A 59 -9.084 12.091 2.207 1.00 0.00 C ATOM 987 O ALA A 59 -9.566 13.224 2.185 1.00 0.00 O ATOM 988 CB ALA A 59 -6.635 11.593 2.181 1.00 0.00 C ATOM 0 H ALA A 59 -7.294 9.931 3.883 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.694 12.624 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.488 12.484 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.757 11.433 2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.781 10.729 1.533 1.00 0.00 H new ATOM 994 N THR A 60 -9.583 11.080 1.503 1.00 0.00 N ATOM 995 CA THR A 60 -10.750 11.247 0.644 1.00 0.00 C ATOM 996 C THR A 60 -11.683 10.043 0.737 1.00 0.00 C ATOM 997 O THR A 60 -12.553 9.856 -0.115 1.00 0.00 O ATOM 998 CB THR A 60 -10.313 11.455 -0.806 1.00 0.00 C ATOM 999 OG1 THR A 60 -9.218 10.616 -1.125 1.00 0.00 O ATOM 1000 CG2 THR A 60 -9.904 12.880 -1.111 1.00 0.00 C ATOM 0 H THR A 60 -9.197 10.136 1.511 1.00 0.00 H new ATOM 0 HA THR A 60 -11.294 12.127 0.987 1.00 0.00 H new ATOM 0 HB THR A 60 -11.188 11.209 -1.408 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.954 10.763 -2.057 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.606 12.957 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.745 13.548 -0.923 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.067 13.163 -0.473 1.00 0.00 H new ATOM 1008 N GLY A 61 -11.502 9.225 1.772 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.340 8.053 1.942 1.00 0.00 C ATOM 1010 C GLY A 61 -12.206 7.078 0.790 1.00 0.00 C ATOM 1011 O GLY A 61 -13.191 6.478 0.356 1.00 0.00 O ATOM 0 H GLY A 61 -10.792 9.354 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.074 7.551 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.381 8.363 2.033 1.00 0.00 H new ATOM 1015 N THR A 62 -10.985 6.921 0.290 1.00 0.00 N ATOM 1016 CA THR A 62 -10.724 6.015 -0.822 1.00 0.00 C ATOM 1017 C THR A 62 -10.253 4.654 -0.321 1.00 0.00 C ATOM 1018 O THR A 62 -9.287 4.560 0.437 1.00 0.00 O ATOM 1019 CB THR A 62 -9.676 6.619 -1.761 1.00 0.00 C ATOM 1020 OG1 THR A 62 -9.349 5.708 -2.796 1.00 0.00 O ATOM 1021 CG2 THR A 62 -8.388 6.999 -1.063 1.00 0.00 C ATOM 0 H THR A 62 -10.160 7.410 0.638 1.00 0.00 H new ATOM 0 HA THR A 62 -11.656 5.874 -1.369 1.00 0.00 H new ATOM 0 HB THR A 62 -10.134 7.525 -2.157 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.679 6.111 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.692 7.420 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.598 7.738 -0.290 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.946 6.113 -0.608 1.00 0.00 H new ATOM 1029 N ASN A 63 -10.935 3.598 -0.756 1.00 0.00 N ATOM 1030 CA ASN A 63 -10.577 2.242 -0.360 1.00 0.00 C ATOM 1031 C ASN A 63 -9.396 1.754 -1.189 1.00 0.00 C ATOM 1032 O ASN A 63 -9.371 1.931 -2.407 1.00 0.00 O ATOM 1033 CB ASN A 63 -11.769 1.300 -0.536 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.709 0.107 0.398 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -10.738 -0.770 0.177 1.00 0.00 O flip ATOM 1036 ND2 ASN A 63 -12.528 -0.024 1.308 1.00 0.00 N flip ATOM 0 H ASN A 63 -11.738 3.657 -1.382 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.295 2.249 0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.693 1.851 -0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.801 0.949 -1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.258 0.675 1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.476 -0.832 1.929 1.00 0.00 H new ATOM 1043 N LEU A 64 -8.406 1.159 -0.530 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.222 0.679 -1.230 1.00 0.00 C ATOM 1045 C LEU A 64 -6.858 -0.749 -0.844 1.00 0.00 C ATOM 1046 O LEU A 64 -6.659 -1.060 0.330 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.030 1.592 -0.942 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.344 3.087 -0.886 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -5.509 3.764 0.192 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.097 3.732 -2.242 1.00 0.00 C ATOM 0 H LEU A 64 -8.400 0.999 0.477 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.459 0.691 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.589 1.295 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.274 1.426 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.397 3.213 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.744 4.828 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.734 3.318 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.450 3.632 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.325 4.796 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.052 3.599 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.736 3.263 -2.990 1.00 0.00 H new ATOM 1062 N SER A 65 -6.725 -1.598 -1.855 1.00 0.00 N ATOM 1063 CA SER A 65 -6.330 -2.984 -1.655 1.00 0.00 C ATOM 1064 C SER A 65 -4.923 -3.160 -2.205 1.00 0.00 C ATOM 1065 O SER A 65 -4.726 -3.208 -3.420 1.00 0.00 O ATOM 1066 CB SER A 65 -7.301 -3.934 -2.360 1.00 0.00 C ATOM 1067 OG SER A 65 -8.625 -3.431 -2.323 1.00 0.00 O ATOM 0 H SER A 65 -6.887 -1.346 -2.830 1.00 0.00 H new ATOM 0 HA SER A 65 -6.351 -3.223 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.991 -4.073 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.267 -4.913 -1.883 1.00 0.00 H new ATOM 0 HG SER A 65 -9.171 -3.991 -1.732 1.00 0.00 H new ATOM 1073 N LEU A 66 -3.936 -3.207 -1.317 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.547 -3.320 -1.747 1.00 0.00 C ATOM 1075 C LEU A 66 -1.894 -4.632 -1.330 1.00 0.00 C ATOM 1076 O LEU A 66 -2.232 -5.224 -0.305 1.00 0.00 O ATOM 1077 CB LEU A 66 -1.718 -2.137 -1.221 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.214 -1.472 0.071 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.494 -0.684 -0.169 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.410 -2.497 1.181 1.00 0.00 C ATOM 0 H LEU A 66 -4.069 -3.169 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.565 -3.303 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.697 -2.482 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.676 -1.377 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.444 -0.771 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.819 -0.225 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.309 0.094 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.271 -1.355 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.761 -1.995 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.146 -3.237 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.462 -2.994 1.389 1.00 0.00 H new ATOM 1092 N GLN A 67 -0.929 -5.054 -2.142 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.168 -6.269 -1.891 1.00 0.00 C ATOM 1094 C GLN A 67 1.300 -5.903 -1.718 1.00 0.00 C ATOM 1095 O GLN A 67 1.987 -5.579 -2.687 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.336 -7.259 -3.047 1.00 0.00 C ATOM 1097 CG GLN A 67 -0.072 -6.648 -4.414 1.00 0.00 C ATOM 1098 CD GLN A 67 -1.301 -6.652 -5.303 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.215 -6.931 -6.499 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -2.453 -6.341 -4.721 1.00 0.00 N ATOM 0 H GLN A 67 -0.654 -4.562 -2.992 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.538 -6.747 -0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.342 -8.099 -2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.349 -7.660 -3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.277 -5.623 -4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.729 -7.200 -4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.478 -6.116 -3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.313 -6.327 -5.269 1.00 0.00 H new ATOM 1109 N PHE A 68 1.769 -5.926 -0.478 1.00 0.00 N ATOM 1110 CA PHE A 68 3.151 -5.561 -0.183 1.00 0.00 C ATOM 1111 C PHE A 68 4.032 -6.766 0.117 1.00 0.00 C ATOM 1112 O PHE A 68 3.662 -7.671 0.863 1.00 0.00 O ATOM 1113 CB PHE A 68 3.227 -4.557 0.968 1.00 0.00 C ATOM 1114 CG PHE A 68 2.002 -4.496 1.830 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.493 -5.632 2.445 1.00 0.00 C ATOM 1116 CD2 PHE A 68 1.362 -3.288 2.029 1.00 0.00 C ATOM 1117 CE1 PHE A 68 0.368 -5.554 3.241 1.00 0.00 C ATOM 1118 CE2 PHE A 68 0.243 -3.205 2.824 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.254 -4.337 3.431 1.00 0.00 C ATOM 0 H PHE A 68 1.217 -6.192 0.338 1.00 0.00 H new ATOM 0 HA PHE A 68 3.537 -5.094 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.083 -4.808 1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.414 -3.566 0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.981 -6.584 2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.746 -2.397 1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.024 -6.442 3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.246 -2.253 2.972 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.132 -4.272 4.057 1.00 0.00 H new ATOM 1129 N PHE A 69 5.216 -6.732 -0.474 1.00 0.00 N ATOM 1130 CA PHE A 69 6.223 -7.772 -0.308 1.00 0.00 C ATOM 1131 C PHE A 69 7.596 -7.220 -0.678 1.00 0.00 C ATOM 1132 O PHE A 69 7.698 -6.320 -1.510 1.00 0.00 O ATOM 1133 CB PHE A 69 5.903 -8.987 -1.182 1.00 0.00 C ATOM 1134 CG PHE A 69 5.044 -10.023 -0.512 1.00 0.00 C ATOM 1135 CD1 PHE A 69 5.212 -10.337 0.832 1.00 0.00 C ATOM 1136 CD2 PHE A 69 4.070 -10.692 -1.234 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.419 -11.297 1.435 1.00 0.00 C ATOM 1138 CE2 PHE A 69 3.278 -11.653 -0.635 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.453 -11.955 0.700 1.00 0.00 C ATOM 0 H PHE A 69 5.509 -5.974 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 69 6.223 -8.089 0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.401 -8.646 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.838 -9.453 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.968 -9.827 1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.927 -10.460 -2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.556 -11.532 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.523 -12.167 -1.211 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.835 -12.706 1.170 1.00 0.00 H new ATOM 1149 N PRO A 70 8.674 -7.751 -0.086 1.00 0.00 N ATOM 1150 CA PRO A 70 10.032 -7.290 -0.390 1.00 0.00 C ATOM 1151 C PRO A 70 10.326 -7.335 -1.887 1.00 0.00 C ATOM 1152 O PRO A 70 10.451 -8.408 -2.475 1.00 0.00 O ATOM 1153 CB PRO A 70 10.925 -8.275 0.367 1.00 0.00 C ATOM 1154 CG PRO A 70 10.063 -8.810 1.459 1.00 0.00 C ATOM 1155 CD PRO A 70 8.664 -8.838 0.909 1.00 0.00 C ATOM 0 HA PRO A 70 10.190 -6.252 -0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.276 -9.073 -0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.809 -7.779 0.768 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.385 -9.808 1.756 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.121 -8.179 2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.429 -9.800 0.453 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.921 -8.665 1.688 1.00 0.00 H new ATOM 1163 N ALA A 71 10.427 -6.157 -2.497 1.00 0.00 N ATOM 1164 CA ALA A 71 10.697 -6.051 -3.927 1.00 0.00 C ATOM 1165 C ALA A 71 12.033 -6.689 -4.301 1.00 0.00 C ATOM 1166 O ALA A 71 12.280 -6.984 -5.470 1.00 0.00 O ATOM 1167 CB ALA A 71 10.670 -4.593 -4.357 1.00 0.00 C ATOM 0 H ALA A 71 10.326 -5.260 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 71 9.914 -6.597 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.873 -4.525 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.688 -4.170 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.430 -4.037 -3.808 1.00 0.00 H new ATOM 1173 N SER A 72 12.894 -6.895 -3.309 1.00 0.00 N ATOM 1174 CA SER A 72 14.203 -7.494 -3.551 1.00 0.00 C ATOM 1175 C SER A 72 14.163 -9.012 -3.378 1.00 0.00 C ATOM 1176 O SER A 72 15.195 -9.645 -3.160 1.00 0.00 O ATOM 1177 CB SER A 72 15.243 -6.890 -2.606 1.00 0.00 C ATOM 1178 OG SER A 72 15.905 -5.792 -3.211 1.00 0.00 O ATOM 0 H SER A 72 12.711 -6.657 -2.334 1.00 0.00 H new ATOM 0 HA SER A 72 14.482 -7.278 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.757 -6.564 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.973 -7.651 -2.329 1.00 0.00 H new ATOM 0 HG SER A 72 16.563 -5.422 -2.586 1.00 0.00 H new ATOM 1319 N PRO A 81 7.230 -12.935 4.925 1.00 0.00 N ATOM 1320 CA PRO A 81 7.461 -11.572 4.444 1.00 0.00 C ATOM 1321 C PRO A 81 8.454 -10.805 5.306 1.00 0.00 C ATOM 1322 O PRO A 81 8.776 -11.215 6.421 1.00 0.00 O ATOM 1323 CB PRO A 81 6.073 -10.913 4.518 1.00 0.00 C ATOM 1324 CG PRO A 81 5.152 -11.946 5.094 1.00 0.00 C ATOM 1325 CD PRO A 81 5.809 -13.277 4.866 1.00 0.00 C ATOM 0 HA PRO A 81 7.894 -11.573 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.098 -10.021 5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.737 -10.599 3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.989 -11.771 6.157 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.175 -11.908 4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.533 -14.003 5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.534 -13.707 3.903 1.00 0.00 H new ATOM 1333 N SER A 82 8.928 -9.682 4.781 1.00 0.00 N ATOM 1334 CA SER A 82 9.880 -8.848 5.502 1.00 0.00 C ATOM 1335 C SER A 82 9.199 -7.586 6.016 1.00 0.00 C ATOM 1336 O SER A 82 8.190 -7.149 5.464 1.00 0.00 O ATOM 1337 CB SER A 82 11.056 -8.477 4.596 1.00 0.00 C ATOM 1338 OG SER A 82 12.279 -8.495 5.313 1.00 0.00 O ATOM 0 H SER A 82 8.669 -9.329 3.860 1.00 0.00 H new ATOM 0 HA SER A 82 10.257 -9.414 6.354 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.110 -9.176 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.894 -7.486 4.172 1.00 0.00 H new ATOM 0 HG SER A 82 13.015 -8.256 4.711 1.00 0.00 H new ATOM 1344 N ARG A 83 9.757 -6.998 7.071 1.00 0.00 N ATOM 1345 CA ARG A 83 9.191 -5.782 7.644 1.00 0.00 C ATOM 1346 C ARG A 83 9.413 -4.585 6.719 1.00 0.00 C ATOM 1347 O ARG A 83 8.871 -3.504 6.949 1.00 0.00 O ATOM 1348 CB ARG A 83 9.775 -5.503 9.034 1.00 0.00 C ATOM 1349 CG ARG A 83 9.991 -6.751 9.879 1.00 0.00 C ATOM 1350 CD ARG A 83 8.701 -7.202 10.542 1.00 0.00 C ATOM 1351 NE ARG A 83 8.949 -8.007 11.736 1.00 0.00 N ATOM 1352 CZ ARG A 83 9.250 -9.303 11.709 1.00 0.00 C ATOM 1353 NH1 ARG A 83 9.344 -9.945 10.551 1.00 0.00 N ATOM 1354 NH2 ARG A 83 9.459 -9.958 12.842 1.00 0.00 N ATOM 0 H ARG A 83 10.594 -7.341 7.543 1.00 0.00 H new ATOM 0 HA ARG A 83 8.117 -5.936 7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.727 -4.986 8.919 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.107 -4.827 9.568 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.380 -7.554 9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.743 -6.550 10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.108 -6.328 10.811 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.112 -7.781 9.831 1.00 0.00 H new ATOM 0 HE ARG A 83 8.888 -7.548 12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.185 -9.445 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.575 -10.938 10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.389 -9.469 13.734 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.690 -10.951 12.822 1.00 0.00 H new ATOM 1368 N GLU A 84 10.198 -4.789 5.660 1.00 0.00 N ATOM 1369 CA GLU A 84 10.469 -3.733 4.692 1.00 0.00 C ATOM 1370 C GLU A 84 9.177 -3.240 4.063 1.00 0.00 C ATOM 1371 O GLU A 84 8.893 -2.041 4.054 1.00 0.00 O ATOM 1372 CB GLU A 84 11.417 -4.243 3.604 1.00 0.00 C ATOM 1373 CG GLU A 84 12.845 -4.444 4.086 1.00 0.00 C ATOM 1374 CD GLU A 84 13.717 -3.229 3.844 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.418 -2.459 2.907 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.701 -3.046 4.592 1.00 0.00 O ATOM 0 H GLU A 84 10.656 -5.677 5.454 1.00 0.00 H new ATOM 0 HA GLU A 84 10.942 -2.902 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.037 -5.188 3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.419 -3.536 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.836 -4.674 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.279 -5.305 3.578 1.00 0.00 H new ATOM 1383 N TYR A 85 8.396 -4.173 3.533 1.00 0.00 N ATOM 1384 CA TYR A 85 7.134 -3.836 2.895 1.00 0.00 C ATOM 1385 C TYR A 85 5.956 -4.206 3.795 1.00 0.00 C ATOM 1386 O TYR A 85 4.878 -3.627 3.687 1.00 0.00 O ATOM 1387 CB TYR A 85 7.033 -4.528 1.538 1.00 0.00 C ATOM 1388 CG TYR A 85 7.936 -3.908 0.491 1.00 0.00 C ATOM 1389 CD1 TYR A 85 9.231 -3.498 0.807 1.00 0.00 C ATOM 1390 CD2 TYR A 85 7.495 -3.728 -0.814 1.00 0.00 C ATOM 1391 CE1 TYR A 85 10.052 -2.930 -0.147 1.00 0.00 C ATOM 1392 CE2 TYR A 85 8.313 -3.161 -1.773 1.00 0.00 C ATOM 1393 CZ TYR A 85 9.589 -2.764 -1.435 1.00 0.00 C ATOM 1394 OH TYR A 85 10.405 -2.199 -2.388 1.00 0.00 O ATOM 0 H TYR A 85 8.616 -5.169 3.533 1.00 0.00 H new ATOM 0 HA TYR A 85 7.098 -2.759 2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.289 -5.581 1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.001 -4.487 1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.598 -3.627 1.815 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.496 -4.036 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.052 -2.617 0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.954 -3.030 -2.783 1.00 0.00 H new ATOM 0 HH TYR A 85 9.928 -2.155 -3.243 1.00 0.00 H new ATOM 1404 N VAL A 86 6.186 -5.144 4.708 1.00 0.00 N ATOM 1405 CA VAL A 86 5.163 -5.557 5.663 1.00 0.00 C ATOM 1406 C VAL A 86 5.800 -5.824 7.014 1.00 0.00 C ATOM 1407 O VAL A 86 6.507 -6.814 7.196 1.00 0.00 O ATOM 1408 CB VAL A 86 4.389 -6.816 5.238 1.00 0.00 C ATOM 1409 CG1 VAL A 86 2.968 -6.459 4.835 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.100 -7.562 4.119 1.00 0.00 C ATOM 0 H VAL A 86 7.075 -5.634 4.807 1.00 0.00 H new ATOM 0 HA VAL A 86 4.449 -4.735 5.710 1.00 0.00 H new ATOM 0 HB VAL A 86 4.347 -7.485 6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.436 -7.363 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.455 -5.998 5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.992 -5.760 3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.523 -8.445 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.197 -6.910 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.091 -7.866 4.457 1.00 0.00 H new ATOM 1420 N ASP A 87 5.540 -4.933 7.949 1.00 0.00 N ATOM 1421 CA ASP A 87 6.088 -5.042 9.293 1.00 0.00 C ATOM 1422 C ASP A 87 4.985 -5.276 10.313 1.00 0.00 C ATOM 1423 O ASP A 87 3.864 -4.793 10.155 1.00 0.00 O ATOM 1424 CB ASP A 87 6.863 -3.766 9.646 1.00 0.00 C ATOM 1425 CG ASP A 87 7.368 -3.756 11.079 1.00 0.00 C ATOM 1426 OD1 ASP A 87 6.532 -3.834 12.004 1.00 0.00 O ATOM 1427 OD2 ASP A 87 8.597 -3.663 11.276 1.00 0.00 O ATOM 0 H ASP A 87 4.947 -4.116 7.804 1.00 0.00 H new ATOM 0 HA ASP A 87 6.765 -5.896 9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.710 -3.662 8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.219 -2.901 9.487 1.00 0.00 H new ATOM 1515 N GLY A 93 3.560 0.620 18.916 1.00 0.00 N ATOM 1516 CA GLY A 93 2.223 1.180 18.829 1.00 0.00 C ATOM 1517 C GLY A 93 1.433 0.677 17.635 1.00 0.00 C ATOM 1518 O GLY A 93 0.365 0.089 17.797 1.00 0.00 O ATOM 0 HA2 GLY A 93 1.678 0.942 19.742 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.295 2.266 18.775 1.00 0.00 H new ATOM 1522 N LYS A 94 1.947 0.921 16.432 1.00 0.00 N ATOM 1523 CA LYS A 94 1.261 0.497 15.214 1.00 0.00 C ATOM 1524 C LYS A 94 2.221 -0.203 14.259 1.00 0.00 C ATOM 1525 O LYS A 94 3.419 -0.302 14.527 1.00 0.00 O ATOM 1526 CB LYS A 94 0.617 1.700 14.508 1.00 0.00 C ATOM 1527 CG LYS A 94 0.421 2.916 15.403 1.00 0.00 C ATOM 1528 CD LYS A 94 1.548 3.921 15.231 1.00 0.00 C ATOM 1529 CE LYS A 94 1.731 4.772 16.477 1.00 0.00 C ATOM 1530 NZ LYS A 94 0.445 5.368 16.938 1.00 0.00 N ATOM 0 H LYS A 94 2.830 1.407 16.275 1.00 0.00 H new ATOM 0 HA LYS A 94 0.481 -0.207 15.503 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.238 1.984 13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.351 1.397 14.108 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.531 3.392 15.169 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.371 2.598 16.444 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.476 3.394 15.010 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.336 4.565 14.377 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.154 4.161 17.274 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.447 5.568 16.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.637 6.095 17.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.046 5.801 16.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.154 4.624 17.349 1.00 0.00 H new ATOM 1544 N VAL A 95 1.685 -0.684 13.143 1.00 0.00 N ATOM 1545 CA VAL A 95 2.489 -1.375 12.140 1.00 0.00 C ATOM 1546 C VAL A 95 2.307 -0.738 10.762 1.00 0.00 C ATOM 1547 O VAL A 95 1.181 -0.548 10.305 1.00 0.00 O ATOM 1548 CB VAL A 95 2.134 -2.884 12.067 1.00 0.00 C ATOM 1549 CG1 VAL A 95 1.705 -3.403 13.432 1.00 0.00 C ATOM 1550 CG2 VAL A 95 1.042 -3.146 11.037 1.00 0.00 C ATOM 0 H VAL A 95 0.695 -0.608 12.909 1.00 0.00 H new ATOM 0 HA VAL A 95 3.532 -1.280 12.443 1.00 0.00 H new ATOM 0 HB VAL A 95 3.031 -3.419 11.755 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.461 -4.463 13.358 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.518 -3.267 14.145 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.828 -2.851 13.772 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.816 -4.212 11.010 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.144 -2.591 11.310 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.384 -2.822 10.054 1.00 0.00 H new ATOM 1560 N TYR A 96 3.417 -0.422 10.098 1.00 0.00 N ATOM 1561 CA TYR A 96 3.362 0.181 8.766 1.00 0.00 C ATOM 1562 C TYR A 96 3.923 -0.750 7.703 1.00 0.00 C ATOM 1563 O TYR A 96 4.806 -1.566 7.968 1.00 0.00 O ATOM 1564 CB TYR A 96 4.082 1.536 8.710 1.00 0.00 C ATOM 1565 CG TYR A 96 5.060 1.793 9.836 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.033 0.864 10.180 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.005 2.980 10.549 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.922 1.115 11.208 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.886 3.240 11.575 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.845 2.305 11.903 1.00 0.00 C ATOM 1571 OH TYR A 96 7.729 2.559 12.928 1.00 0.00 O ATOM 0 H TYR A 96 4.360 -0.572 10.457 1.00 0.00 H new ATOM 0 HA TYR A 96 2.306 0.352 8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.617 1.606 7.763 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.333 2.328 8.713 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.096 -0.067 9.637 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.256 3.716 10.295 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.673 0.383 11.466 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.826 4.171 12.120 1.00 0.00 H new ATOM 0 HH TYR A 96 7.540 3.440 13.312 1.00 0.00 H new ATOM 1581 N LEU A 97 3.391 -0.613 6.493 1.00 0.00 N ATOM 1582 CA LEU A 97 3.817 -1.432 5.369 1.00 0.00 C ATOM 1583 C LEU A 97 3.897 -0.605 4.093 1.00 0.00 C ATOM 1584 O LEU A 97 3.127 0.341 3.899 1.00 0.00 O ATOM 1585 CB LEU A 97 2.858 -2.616 5.163 1.00 0.00 C ATOM 1586 CG LEU A 97 1.397 -2.372 5.566 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.255 -2.218 7.073 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.842 -1.151 4.857 1.00 0.00 C ATOM 0 H LEU A 97 2.660 0.062 6.267 1.00 0.00 H new ATOM 0 HA LEU A 97 4.810 -1.818 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.882 -2.900 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.234 -3.467 5.731 1.00 0.00 H new ATOM 0 HG LEU A 97 0.821 -3.246 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.208 -2.046 7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.602 -3.126 7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.852 -1.371 7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.194 -0.996 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.432 -0.275 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.889 -1.304 3.779 1.00 0.00 H new ATOM 1600 N LYS A 98 4.830 -0.985 3.223 1.00 0.00 N ATOM 1601 CA LYS A 98 5.028 -0.315 1.945 1.00 0.00 C ATOM 1602 C LYS A 98 4.650 -1.261 0.813 1.00 0.00 C ATOM 1603 O LYS A 98 5.169 -2.374 0.732 1.00 0.00 O ATOM 1604 CB LYS A 98 6.490 0.122 1.799 1.00 0.00 C ATOM 1605 CG LYS A 98 6.660 1.558 1.333 1.00 0.00 C ATOM 1606 CD LYS A 98 8.072 1.818 0.835 1.00 0.00 C ATOM 1607 CE LYS A 98 9.095 1.645 1.946 1.00 0.00 C ATOM 1608 NZ LYS A 98 8.682 2.344 3.194 1.00 0.00 N ATOM 0 H LYS A 98 5.467 -1.764 3.386 1.00 0.00 H new ATOM 0 HA LYS A 98 4.394 0.571 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.993 -0.000 2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.988 -0.541 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.947 1.770 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.432 2.238 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.302 1.135 0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.137 2.829 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.231 0.583 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.059 2.031 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.494 2.407 3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.349 3.302 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.914 1.812 3.652 1.00 0.00 H new ATOM 1622 N ALA A 99 3.736 -0.830 -0.050 1.00 0.00 N ATOM 1623 CA ALA A 99 3.291 -1.670 -1.156 1.00 0.00 C ATOM 1624 C ALA A 99 3.396 -0.954 -2.502 1.00 0.00 C ATOM 1625 O ALA A 99 2.851 0.136 -2.678 1.00 0.00 O ATOM 1626 CB ALA A 99 1.859 -2.127 -0.921 1.00 0.00 C ATOM 0 H ALA A 99 3.292 0.087 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 99 3.952 -2.536 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.536 -2.754 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.807 -2.698 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.207 -1.257 -0.848 1.00 0.00 H new ATOM 1632 N PRO A 100 4.088 -1.570 -3.479 1.00 0.00 N ATOM 1633 CA PRO A 100 4.251 -1.008 -4.811 1.00 0.00 C ATOM 1634 C PRO A 100 3.154 -1.485 -5.757 1.00 0.00 C ATOM 1635 O PRO A 100 3.015 -2.684 -6.000 1.00 0.00 O ATOM 1636 CB PRO A 100 5.606 -1.574 -5.230 1.00 0.00 C ATOM 1637 CG PRO A 100 5.682 -2.916 -4.571 1.00 0.00 C ATOM 1638 CD PRO A 100 4.764 -2.876 -3.367 1.00 0.00 C ATOM 0 HA PRO A 100 4.194 0.080 -4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.680 -1.661 -6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.422 -0.928 -4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.376 -3.702 -5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.705 -3.138 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.049 -3.699 -3.382 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.324 -2.958 -2.435 1.00 0.00 H new ATOM 1646 N MET A 101 2.367 -0.550 -6.282 1.00 0.00 N ATOM 1647 CA MET A 101 1.281 -0.902 -7.189 1.00 0.00 C ATOM 1648 C MET A 101 1.038 0.199 -8.210 1.00 0.00 C ATOM 1649 O MET A 101 1.617 1.282 -8.123 1.00 0.00 O ATOM 1650 CB MET A 101 -0.003 -1.181 -6.402 1.00 0.00 C ATOM 1651 CG MET A 101 -0.536 0.026 -5.649 1.00 0.00 C ATOM 1652 SD MET A 101 -1.843 -0.407 -4.484 1.00 0.00 S ATOM 1653 CE MET A 101 -2.545 1.204 -4.136 1.00 0.00 C ATOM 0 H MET A 101 2.460 0.449 -6.097 1.00 0.00 H new ATOM 0 HA MET A 101 1.573 -1.805 -7.725 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.770 -1.536 -7.090 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.185 -1.986 -5.692 1.00 0.00 H new ATOM 0 HG2 MET A 101 0.282 0.504 -5.111 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.918 0.756 -6.363 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.588 1.357 -3.058 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.923 1.977 -4.588 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.551 1.260 -4.551 1.00 0.00 H new ATOM 1663 N ILE A 102 0.180 -0.088 -9.182 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.137 0.874 -10.227 1.00 0.00 C ATOM 1665 C ILE A 102 -1.439 1.611 -9.933 1.00 0.00 C ATOM 1666 O ILE A 102 -2.528 1.059 -10.093 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.252 0.187 -11.603 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.982 -0.677 -11.873 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.435 1.224 -12.703 1.00 0.00 C ATOM 1670 CD1 ILE A 102 2.243 0.124 -12.123 1.00 0.00 C ATOM 0 H ILE A 102 -0.308 -0.980 -9.267 1.00 0.00 H new ATOM 0 HA ILE A 102 0.682 1.592 -10.249 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.129 -0.461 -11.595 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.145 -1.338 -11.022 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.788 -1.312 -12.737 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.514 0.722 -13.667 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.344 1.796 -12.516 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.422 1.898 -12.714 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.075 -0.556 -12.307 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.100 0.766 -12.992 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.462 0.739 -11.250 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.318 2.870 -9.529 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.480 3.701 -9.242 1.00 0.00 C ATOM 1684 C LEU A 103 -2.847 4.486 -10.490 1.00 0.00 C ATOM 1685 O LEU A 103 -1.982 4.784 -11.291 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.200 4.654 -8.079 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.488 4.079 -6.690 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.156 5.099 -5.610 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -3.943 3.644 -6.587 1.00 0.00 C ATOM 0 H LEU A 103 -0.423 3.339 -9.392 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.312 3.060 -8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.154 4.957 -8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.799 5.555 -8.214 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.855 3.204 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.367 4.672 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.100 5.363 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.763 5.993 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.132 3.237 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.592 4.503 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.148 2.880 -7.337 1.00 0.00 H new ATOM 1701 N ASN A 104 -4.127 4.803 -10.656 1.00 0.00 N ATOM 1702 CA ASN A 104 -4.617 5.539 -11.833 1.00 0.00 C ATOM 1703 C ASN A 104 -3.512 5.850 -12.860 1.00 0.00 C ATOM 1704 O ASN A 104 -3.052 6.986 -12.974 1.00 0.00 O ATOM 1705 CB ASN A 104 -5.263 6.848 -11.377 1.00 0.00 C ATOM 1706 CG ASN A 104 -6.751 6.700 -11.125 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -7.169 6.126 -10.120 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -7.560 7.220 -12.042 1.00 0.00 N ATOM 0 H ASN A 104 -4.857 4.562 -9.986 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.342 4.895 -12.331 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.775 7.193 -10.465 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.100 7.614 -12.135 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.571 7.152 -11.928 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.170 7.688 -12.860 1.00 0.00 H new ATOM 1715 N GLY A 105 -3.119 4.823 -13.620 1.00 0.00 N ATOM 1716 CA GLY A 105 -2.097 4.975 -14.654 1.00 0.00 C ATOM 1717 C GLY A 105 -0.830 5.667 -14.180 1.00 0.00 C ATOM 1718 O GLY A 105 -0.388 6.639 -14.789 1.00 0.00 O ATOM 0 H GLY A 105 -3.495 3.878 -13.537 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.837 3.989 -15.040 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.518 5.541 -15.485 1.00 0.00 H new ATOM 1722 N VAL A 106 -0.245 5.159 -13.097 1.00 0.00 N ATOM 1723 CA VAL A 106 0.974 5.719 -12.527 1.00 0.00 C ATOM 1724 C VAL A 106 1.590 4.742 -11.526 1.00 0.00 C ATOM 1725 O VAL A 106 0.945 4.357 -10.549 1.00 0.00 O ATOM 1726 CB VAL A 106 0.698 7.058 -11.800 1.00 0.00 C ATOM 1727 CG1 VAL A 106 1.936 7.550 -11.060 1.00 0.00 C ATOM 1728 CG2 VAL A 106 0.204 8.119 -12.771 1.00 0.00 C ATOM 0 H VAL A 106 -0.604 4.349 -12.592 1.00 0.00 H new ATOM 0 HA VAL A 106 1.663 5.898 -13.353 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.087 6.874 -11.066 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.711 8.492 -10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.236 6.808 -10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.748 7.702 -11.771 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.019 9.048 -12.232 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.959 8.289 -13.539 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.720 7.781 -13.240 1.00 0.00 H new ATOM 1738 N CYS A 107 2.840 4.358 -11.758 1.00 0.00 N ATOM 1739 CA CYS A 107 3.532 3.446 -10.856 1.00 0.00 C ATOM 1740 C CYS A 107 3.843 4.160 -9.543 1.00 0.00 C ATOM 1741 O CYS A 107 4.673 5.070 -9.504 1.00 0.00 O ATOM 1742 CB CYS A 107 4.821 2.935 -11.502 1.00 0.00 C ATOM 1743 SG CYS A 107 5.201 1.207 -11.126 1.00 0.00 S ATOM 0 H CYS A 107 3.393 4.663 -12.559 1.00 0.00 H new ATOM 0 HA CYS A 107 2.888 2.591 -10.652 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.744 3.052 -12.583 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.652 3.559 -11.172 1.00 0.00 H new ATOM 0 HG CYS A 107 5.868 1.142 -10.012 1.00 0.00 H new ATOM 1749 N VAL A 108 3.160 3.763 -8.473 1.00 0.00 N ATOM 1750 CA VAL A 108 3.360 4.397 -7.176 1.00 0.00 C ATOM 1751 C VAL A 108 3.439 3.378 -6.046 1.00 0.00 C ATOM 1752 O VAL A 108 3.184 2.190 -6.243 1.00 0.00 O ATOM 1753 CB VAL A 108 2.227 5.396 -6.875 1.00 0.00 C ATOM 1754 CG1 VAL A 108 2.195 6.493 -7.926 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.888 4.680 -6.807 1.00 0.00 C ATOM 0 H VAL A 108 2.470 3.012 -8.478 1.00 0.00 H new ATOM 0 HA VAL A 108 4.312 4.925 -7.231 1.00 0.00 H new ATOM 0 HB VAL A 108 2.419 5.854 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.389 7.191 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.146 7.025 -7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.027 6.051 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.100 5.402 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.686 4.194 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.916 3.930 -6.017 1.00 0.00 H new ATOM 1765 N ILE A 109 3.800 3.859 -4.862 1.00 0.00 N ATOM 1766 CA ILE A 109 3.924 3.008 -3.688 1.00 0.00 C ATOM 1767 C ILE A 109 3.164 3.585 -2.500 1.00 0.00 C ATOM 1768 O ILE A 109 3.553 4.612 -1.944 1.00 0.00 O ATOM 1769 CB ILE A 109 5.397 2.833 -3.273 1.00 0.00 C ATOM 1770 CG1 ILE A 109 6.257 2.446 -4.481 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.512 1.790 -2.169 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.660 2.004 -4.115 1.00 0.00 C ATOM 0 H ILE A 109 4.013 4.842 -4.691 1.00 0.00 H new ATOM 0 HA ILE A 109 3.501 2.042 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 109 5.766 3.784 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.762 1.641 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.319 3.297 -5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.558 1.675 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.933 2.112 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.127 0.836 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.208 1.746 -5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.174 2.815 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.608 1.133 -3.462 1.00 0.00 H new ATOM 1784 N TRP A 110 2.092 2.912 -2.098 1.00 0.00 N ATOM 1785 CA TRP A 110 1.306 3.360 -0.956 1.00 0.00 C ATOM 1786 C TRP A 110 1.838 2.715 0.321 1.00 0.00 C ATOM 1787 O TRP A 110 2.083 1.510 0.360 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.176 3.018 -1.147 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.001 3.272 0.078 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.792 4.356 0.331 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.106 2.423 1.223 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.380 4.232 1.568 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -1.975 3.051 2.135 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.548 1.190 1.564 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.297 2.484 3.368 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -0.867 0.629 2.784 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -1.733 1.273 3.674 1.00 0.00 C ATOM 0 H TRP A 110 1.749 2.060 -2.543 1.00 0.00 H new ATOM 0 HA TRP A 110 1.396 4.443 -0.874 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.574 3.605 -1.974 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.267 1.969 -1.428 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -1.935 5.189 -0.342 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.014 4.908 1.994 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.122 0.684 0.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -2.966 2.981 4.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.440 -0.325 3.057 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.962 0.807 4.621 1.00 0.00 H new ATOM 1808 N LYS A 111 2.030 3.522 1.358 1.00 0.00 N ATOM 1809 CA LYS A 111 2.546 3.018 2.622 1.00 0.00 C ATOM 1810 C LYS A 111 1.874 3.710 3.804 1.00 0.00 C ATOM 1811 O LYS A 111 1.615 4.912 3.764 1.00 0.00 O ATOM 1812 CB LYS A 111 4.064 3.221 2.677 1.00 0.00 C ATOM 1813 CG LYS A 111 4.658 3.111 4.073 1.00 0.00 C ATOM 1814 CD LYS A 111 4.583 4.439 4.809 1.00 0.00 C ATOM 1815 CE LYS A 111 5.945 5.110 4.886 1.00 0.00 C ATOM 1816 NZ LYS A 111 6.848 4.427 5.851 1.00 0.00 N ATOM 0 H LYS A 111 1.837 4.523 1.348 1.00 0.00 H new ATOM 0 HA LYS A 111 2.323 1.953 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.541 2.483 2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.303 4.203 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.124 2.348 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.697 2.788 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.879 5.099 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.198 4.277 5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.405 5.112 3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.820 6.152 5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 7.698 5.007 6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.354 4.297 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 7.124 3.499 5.471 1.00 0.00 H new ATOM 1830 N GLY A 112 1.601 2.945 4.856 1.00 0.00 N ATOM 1831 CA GLY A 112 0.965 3.517 6.032 1.00 0.00 C ATOM 1832 C GLY A 112 0.909 2.552 7.198 1.00 0.00 C ATOM 1833 O GLY A 112 1.025 1.340 7.013 1.00 0.00 O ATOM 0 H GLY A 112 1.806 1.948 4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.508 4.413 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.047 3.829 5.776 1.00 0.00 H new ATOM 1837 N TRP A 113 0.724 3.084 8.407 1.00 0.00 N ATOM 1838 CA TRP A 113 0.650 2.241 9.595 1.00 0.00 C ATOM 1839 C TRP A 113 -0.776 2.140 10.120 1.00 0.00 C ATOM 1840 O TRP A 113 -1.578 3.065 9.973 1.00 0.00 O ATOM 1841 CB TRP A 113 1.589 2.735 10.701 1.00 0.00 C ATOM 1842 CG TRP A 113 1.395 4.170 11.087 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.145 5.236 10.682 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.403 4.690 11.978 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.668 6.391 11.253 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.599 6.082 12.055 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.636 4.115 12.713 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 -0.205 6.905 12.839 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.433 4.933 13.492 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -1.215 6.314 13.549 1.00 0.00 C ATOM 0 H TRP A 113 0.624 4.083 8.586 1.00 0.00 H new ATOM 0 HA TRP A 113 0.976 1.245 9.294 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.448 2.112 11.584 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.619 2.596 10.374 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.989 5.180 10.011 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.047 7.326 11.105 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.814 3.050 12.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -0.038 7.971 12.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.238 4.499 14.066 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.857 6.926 14.166 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.069 1.001 10.740 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.383 0.734 11.309 1.00 0.00 C ATOM 1863 C ILE A 114 -2.276 0.592 12.816 1.00 0.00 C ATOM 1864 O ILE A 114 -1.379 -0.089 13.309 1.00 0.00 O ATOM 1865 CB ILE A 114 -2.985 -0.577 10.755 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -3.101 -0.533 9.232 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.342 -0.853 11.385 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -3.954 0.608 8.721 1.00 0.00 C ATOM 0 H ILE A 114 -0.402 0.239 10.861 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.027 1.571 11.040 1.00 0.00 H new ATOM 0 HB ILE A 114 -2.309 -1.391 11.017 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.103 -0.450 8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.522 -1.475 8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.749 -1.780 10.981 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.230 -0.946 12.465 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.021 -0.031 11.160 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.991 0.576 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.964 0.515 9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.523 1.556 9.041 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.195 1.204 13.551 1.00 0.00 N ATOM 1881 CA ASP A 115 -3.159 1.090 14.996 1.00 0.00 C ATOM 1882 C ASP A 115 -3.898 -0.179 15.410 1.00 0.00 C ATOM 1883 O ASP A 115 -4.982 -0.475 14.904 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.757 2.331 15.673 1.00 0.00 C ATOM 1885 CG ASP A 115 -5.240 2.205 15.945 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.591 1.669 17.013 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -6.047 2.638 15.096 1.00 0.00 O ATOM 0 H ASP A 115 -3.957 1.771 13.178 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.122 1.026 15.324 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.236 2.511 16.613 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.583 3.201 15.040 1.00 0.00 H new ATOM 1892 N LEU A 116 -3.278 -0.946 16.292 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.833 -2.218 16.742 1.00 0.00 C ATOM 1894 C LEU A 116 -4.985 -2.066 17.739 1.00 0.00 C ATOM 1895 O LEU A 116 -5.353 -3.031 18.409 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.715 -3.055 17.350 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.423 -3.081 16.522 1.00 0.00 C ATOM 1898 CD1 LEU A 116 -0.198 -2.952 17.417 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -1.348 -4.348 15.680 1.00 0.00 C ATOM 0 H LEU A 116 -2.381 -0.709 16.716 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.259 -2.714 15.870 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.488 -2.669 18.344 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.071 -4.077 17.478 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.437 -2.224 15.848 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.704 -2.973 16.805 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.244 -2.010 17.963 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.176 -3.781 18.125 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.424 -4.346 15.101 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.365 -5.220 16.333 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.201 -4.386 15.002 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.566 -0.876 17.830 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.684 -0.650 18.739 1.00 0.00 C ATOM 1913 C HIS A 117 -7.940 -0.279 17.956 1.00 0.00 C ATOM 1914 O HIS A 117 -8.924 -1.018 17.943 1.00 0.00 O ATOM 1915 CB HIS A 117 -6.344 0.459 19.738 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.962 0.352 20.305 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -4.701 -0.139 21.567 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -3.760 0.676 19.774 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -3.399 -0.112 21.787 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -2.805 0.379 20.715 1.00 0.00 N ATOM 0 H HIS A 117 -5.285 -0.058 17.290 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.872 -1.573 19.288 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -6.452 1.426 19.246 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -7.066 0.435 20.555 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -3.585 1.091 18.792 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.904 -0.436 22.690 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.800 0.516 20.604 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.885 0.871 17.300 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.998 1.368 16.497 1.00 0.00 C ATOM 1931 C ARG A 118 -8.920 0.858 15.056 1.00 0.00 C ATOM 1932 O ARG A 118 -9.872 1.005 14.289 1.00 0.00 O ATOM 1933 CB ARG A 118 -9.029 2.904 16.500 1.00 0.00 C ATOM 1934 CG ARG A 118 -8.077 3.547 17.500 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.169 5.065 17.465 1.00 0.00 C ATOM 1936 NE ARG A 118 -8.807 5.603 18.664 1.00 0.00 N ATOM 1937 CZ ARG A 118 -8.178 5.779 19.824 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -6.896 5.454 19.948 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -8.832 6.280 20.863 1.00 0.00 N ATOM 0 H ARG A 118 -7.071 1.486 17.308 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.916 0.991 16.948 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.784 3.263 15.500 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -10.044 3.235 16.718 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.308 3.191 18.504 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.055 3.239 17.280 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.169 5.487 17.367 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.733 5.374 16.585 1.00 0.00 H new ATOM 0 HE ARG A 118 -9.793 5.859 18.609 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -6.389 5.067 19.152 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -6.419 5.591 20.839 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.817 6.530 20.773 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -8.350 6.415 21.752 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.783 0.264 14.688 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.590 -0.259 13.336 1.00 0.00 C ATOM 1955 C LEU A 119 -7.506 0.874 12.317 1.00 0.00 C ATOM 1956 O LEU A 119 -7.966 0.756 11.180 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.716 -1.211 12.968 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.319 -2.686 12.916 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.492 -3.543 12.462 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.118 -2.882 11.996 1.00 0.00 C ATOM 0 H LEU A 119 -6.983 0.134 15.307 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.647 -0.805 13.319 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.524 -1.092 13.690 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.113 -0.922 11.995 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.037 -3.003 13.920 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.188 -4.589 12.432 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.320 -3.426 13.161 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.809 -3.229 11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.848 -3.938 11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.372 -2.548 10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.275 -2.301 12.370 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.903 1.963 12.745 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.723 3.134 11.897 1.00 0.00 C ATOM 1974 C ASP A 120 -5.384 3.796 12.198 1.00 0.00 C ATOM 1975 O ASP A 120 -4.873 3.697 13.312 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.865 4.133 12.101 1.00 0.00 C ATOM 1977 CG ASP A 120 -7.978 4.615 13.535 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -6.928 4.774 14.194 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.116 4.836 13.998 1.00 0.00 O ATOM 0 H ASP A 120 -6.523 2.067 13.686 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.734 2.811 10.856 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.712 4.991 11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -8.805 3.668 11.804 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.808 4.462 11.206 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.530 5.111 11.419 1.00 0.00 C ATOM 1986 C GLY A 121 -3.236 6.202 10.415 1.00 0.00 C ATOM 1987 O GLY A 121 -4.013 7.146 10.268 1.00 0.00 O ATOM 0 H GLY A 121 -5.197 4.564 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.509 5.536 12.423 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.739 4.363 11.373 1.00 0.00 H new ATOM 1991 N MET A 122 -2.106 6.080 9.730 1.00 0.00 N ATOM 1992 CA MET A 122 -1.707 7.075 8.744 1.00 0.00 C ATOM 1993 C MET A 122 -1.118 6.420 7.501 1.00 0.00 C ATOM 1994 O MET A 122 -0.355 5.458 7.590 1.00 0.00 O ATOM 1995 CB MET A 122 -0.691 8.043 9.351 1.00 0.00 C ATOM 1996 CG MET A 122 -1.274 8.932 10.438 1.00 0.00 C ATOM 1997 SD MET A 122 -0.122 10.207 10.984 1.00 0.00 S ATOM 1998 CE MET A 122 -1.230 11.598 11.183 1.00 0.00 C ATOM 0 H MET A 122 -1.452 5.305 9.839 1.00 0.00 H new ATOM 0 HA MET A 122 -2.599 7.626 8.448 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.140 7.472 9.766 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.282 8.671 8.560 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.183 9.404 10.067 1.00 0.00 H new ATOM 0 HG3 MET A 122 -1.560 8.317 11.291 1.00 0.00 H new ATOM 0 HE1 MET A 122 -0.668 12.463 11.535 1.00 0.00 H new ATOM 0 HE2 MET A 122 -1.695 11.833 10.225 1.00 0.00 H new ATOM 0 HE3 MET A 122 -2.003 11.347 11.910 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.476 6.958 6.340 1.00 0.00 N ATOM 2009 CA GLY A 123 -0.976 6.429 5.087 1.00 0.00 C ATOM 2010 C GLY A 123 -0.370 7.511 4.219 1.00 0.00 C ATOM 2011 O GLY A 123 -0.444 8.694 4.553 1.00 0.00 O ATOM 0 H GLY A 123 -2.106 7.754 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.227 5.664 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.789 5.944 4.547 1.00 0.00 H new ATOM 2015 N CYS A 124 0.232 7.114 3.105 1.00 0.00 N ATOM 2016 CA CYS A 124 0.850 8.072 2.200 1.00 0.00 C ATOM 2017 C CYS A 124 1.215 7.422 0.871 1.00 0.00 C ATOM 2018 O CYS A 124 1.535 6.235 0.813 1.00 0.00 O ATOM 2019 CB CYS A 124 2.098 8.678 2.844 1.00 0.00 C ATOM 2020 SG CYS A 124 3.443 7.497 3.108 1.00 0.00 S ATOM 0 H CYS A 124 0.305 6.141 2.808 1.00 0.00 H new ATOM 0 HA CYS A 124 0.126 8.863 2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 124 2.461 9.490 2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.822 9.117 3.802 1.00 0.00 H new ATOM 0 HG CYS A 124 3.296 6.485 2.305 1.00 0.00 H new ATOM 2026 N LEU A 125 1.172 8.215 -0.194 1.00 0.00 N ATOM 2027 CA LEU A 125 1.509 7.723 -1.527 1.00 0.00 C ATOM 2028 C LEU A 125 2.880 8.243 -1.954 1.00 0.00 C ATOM 2029 O LEU A 125 3.234 9.383 -1.663 1.00 0.00 O ATOM 2030 CB LEU A 125 0.439 8.151 -2.537 1.00 0.00 C ATOM 2031 CG LEU A 125 -0.817 7.275 -2.568 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -1.872 7.882 -3.484 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.469 5.864 -3.016 1.00 0.00 C ATOM 0 H LEU A 125 0.908 9.200 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 125 1.545 6.634 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.142 9.176 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.883 8.156 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.227 7.226 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.756 7.245 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.142 8.873 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.473 7.962 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.372 5.254 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.035 5.896 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.250 5.429 -2.322 1.00 0.00 H new ATOM 2045 N GLU A 126 3.656 7.408 -2.637 1.00 0.00 N ATOM 2046 CA GLU A 126 4.984 7.808 -3.086 1.00 0.00 C ATOM 2047 C GLU A 126 5.375 7.078 -4.366 1.00 0.00 C ATOM 2048 O GLU A 126 5.514 5.856 -4.379 1.00 0.00 O ATOM 2049 CB GLU A 126 6.018 7.535 -1.990 1.00 0.00 C ATOM 2050 CG GLU A 126 6.485 8.792 -1.271 1.00 0.00 C ATOM 2051 CD GLU A 126 7.858 8.631 -0.650 1.00 0.00 C ATOM 2052 OE1 GLU A 126 8.219 7.491 -0.290 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.575 9.647 -0.525 1.00 0.00 O ATOM 0 H GLU A 126 3.390 6.456 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 126 4.960 8.877 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.590 6.847 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.881 7.036 -2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.504 9.623 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.766 9.050 -0.493 1.00 0.00 H new ATOM 2060 N PHE A 127 5.552 7.838 -5.436 1.00 0.00 N ATOM 2061 CA PHE A 127 5.922 7.302 -6.722 1.00 0.00 C ATOM 2062 C PHE A 127 7.123 6.368 -6.651 1.00 0.00 C ATOM 2063 O PHE A 127 7.959 6.468 -5.755 1.00 0.00 O ATOM 2064 CB PHE A 127 6.257 8.456 -7.645 1.00 0.00 C ATOM 2065 CG PHE A 127 6.245 8.063 -9.072 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.340 7.448 -9.638 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.133 8.301 -9.834 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.327 7.069 -10.963 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.100 7.931 -11.166 1.00 0.00 C ATOM 2070 CZ PHE A 127 6.204 7.311 -11.732 1.00 0.00 C ATOM 0 H PHE A 127 5.440 8.852 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 127 5.078 6.719 -7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 127 5.541 9.262 -7.488 1.00 0.00 H new ATOM 0 HB3 PHE A 127 7.241 8.849 -7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.218 7.261 -9.037 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.274 8.782 -9.391 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.189 6.586 -11.398 1.00 0.00 H new ATOM 0 HE2 PHE A 127 4.220 8.124 -11.762 1.00 0.00 H new ATOM 0 HZ PHE A 127 6.186 7.018 -12.771 1.00 0.00 H new ATOM 2080 N ASP A 128 7.214 5.490 -7.645 1.00 0.00 N ATOM 2081 CA ASP A 128 8.327 4.563 -7.753 1.00 0.00 C ATOM 2082 C ASP A 128 8.875 4.603 -9.176 1.00 0.00 C ATOM 2083 O ASP A 128 8.302 4.010 -10.091 1.00 0.00 O ATOM 2084 CB ASP A 128 7.893 3.139 -7.393 1.00 0.00 C ATOM 2085 CG ASP A 128 6.518 2.792 -7.928 1.00 0.00 C ATOM 2086 OD1 ASP A 128 6.272 3.028 -9.128 1.00 0.00 O ATOM 2087 OD2 ASP A 128 5.688 2.282 -7.147 1.00 0.00 O ATOM 0 H ASP A 128 6.523 5.404 -8.390 1.00 0.00 H new ATOM 0 HA ASP A 128 9.105 4.862 -7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 128 8.621 2.431 -7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.895 3.026 -6.309 1.00 0.00 H new ATOM 2092 N GLU A 129 9.978 5.319 -9.362 1.00 0.00 N ATOM 2093 CA GLU A 129 10.589 5.451 -10.680 1.00 0.00 C ATOM 2094 C GLU A 129 11.581 4.321 -10.953 1.00 0.00 C ATOM 2095 O GLU A 129 12.279 4.332 -11.968 1.00 0.00 O ATOM 2096 CB GLU A 129 11.288 6.808 -10.802 1.00 0.00 C ATOM 2097 CG GLU A 129 10.333 7.996 -10.769 1.00 0.00 C ATOM 2098 CD GLU A 129 11.049 9.320 -10.951 1.00 0.00 C ATOM 2099 OE1 GLU A 129 11.477 9.612 -12.088 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.183 10.065 -9.959 1.00 0.00 O ATOM 0 H GLU A 129 10.467 5.817 -8.618 1.00 0.00 H new ATOM 0 HA GLU A 129 9.796 5.386 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.008 6.910 -9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 129 11.853 6.833 -11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.586 7.880 -11.554 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.799 8.003 -9.819 1.00 0.00 H new