USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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: B 78 ASN : amide:sc= 1.06 K(o=2.3,f=-4.6) USER MOD Set 1.2: B 80 LYS NZ :NH3+ 162:sc= 1.19 (180deg=-0.128) USER MOD Set 2.1: B 34 TYR OH : rot -41:sc= 0.0193 USER MOD Set 2.2: B 54 ASN : amide:sc= -2.36! K(o=-2.3!,f=-0.07) USER MOD Single : A 5 SER OG : rot -31:sc= 0.134 USER MOD Single : A 7 GLN : amide:sc= -1.78! C(o=-1.8!,f=-1.7!) USER MOD Single : A 20 TYR OH : rot -106:sc= -0.882 USER MOD Single : B 37 LYS NZ :NH3+ 147:sc= 2.35 (180deg=1.13) USER MOD Single : B 38 MET CE :methyl -114:sc= -0.789 (180deg=-1.91) USER MOD Single : B 39 LYS NZ :NH3+ -164:sc= -0.0475 (180deg=-0.356) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 TYR OH : rot -139:sc= -0.415 USER MOD Single : B 47 LYS NZ :NH3+ -175:sc= 2.25 (180deg=2.1) USER MOD Single : B 55 LYS NZ :NH3+ -164:sc= 1.16 (180deg=1.01) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -17:sc= 0.114 USER MOD Single : B 68 TYR OH : rot 132:sc= 0.0441 USER MOD Single : B 69 ASN : amide:sc= -6.82! C(o=-6.8!,f=-7!) USER MOD Single : B 73 ASN : amide:sc= -3.43 K(o=-3.4,f=-4.9!) USER MOD Single : B 76 TYR OH : rot 85:sc= 0.628 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -2.7! K(o=-2.7!,f=-1.3) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HE2:sc= 0.643 K(o=0.64,f=-5.7!) USER MOD Single : B 103 LYS NZ :NH3+ 163:sc= 1.08 (180deg=0.194!) USER MOD Single : B 106 THR OG1 : rot 53:sc= 0.379 USER MOD Single : B 108 TYR OH : rot 180:sc= 0.743 USER MOD Single : B 110 TYR OH : rot -179:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 8.002 14.081 -7.234 1.00 0.00 N ATOM 60 CA SER A 5 7.096 12.980 -6.967 1.00 0.00 C ATOM 61 C SER A 5 7.116 11.994 -8.127 1.00 0.00 C ATOM 62 O SER A 5 6.935 12.379 -9.285 1.00 0.00 O ATOM 63 CB SER A 5 5.678 13.498 -6.727 1.00 0.00 C ATOM 64 OG SER A 5 5.256 14.343 -7.786 1.00 0.00 O ATOM 0 HA SER A 5 7.427 12.465 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.991 12.657 -6.633 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.642 14.045 -5.785 1.00 0.00 H new ATOM 0 HG SER A 5 6.031 14.812 -8.159 1.00 0.00 H new ATOM 70 N VAL A 6 7.343 10.731 -7.815 1.00 0.00 N ATOM 71 CA VAL A 6 7.419 9.688 -8.828 1.00 0.00 C ATOM 72 C VAL A 6 6.319 8.662 -8.627 1.00 0.00 C ATOM 73 O VAL A 6 5.965 8.326 -7.501 1.00 0.00 O ATOM 74 CB VAL A 6 8.788 8.980 -8.815 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.882 9.933 -9.259 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.098 8.418 -7.435 1.00 0.00 C ATOM 0 H VAL A 6 7.479 10.398 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 6 7.290 10.173 -9.796 1.00 0.00 H new ATOM 0 HB VAL A 6 8.746 8.147 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.842 9.417 -9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.673 10.281 -10.271 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.918 10.786 -8.582 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.069 7.924 -7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.117 9.230 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.330 7.698 -7.154 1.00 0.00 H new ATOM 86 N GLN A 7 5.780 8.166 -9.723 1.00 0.00 N ATOM 87 CA GLN A 7 4.690 7.207 -9.668 1.00 0.00 C ATOM 88 C GLN A 7 5.237 5.791 -9.573 1.00 0.00 C ATOM 89 O GLN A 7 6.212 5.443 -10.243 1.00 0.00 O ATOM 90 CB GLN A 7 3.774 7.343 -10.892 1.00 0.00 C ATOM 91 CG GLN A 7 4.382 6.865 -12.209 1.00 0.00 C ATOM 92 CD GLN A 7 5.566 7.699 -12.673 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.402 8.701 -13.367 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.768 7.284 -12.302 1.00 0.00 N ATOM 0 H GLN A 7 6.079 8.411 -10.667 1.00 0.00 H new ATOM 0 HA GLN A 7 4.098 7.417 -8.777 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.859 6.781 -10.706 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.489 8.390 -10.999 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.700 5.829 -12.097 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.613 6.881 -12.981 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.863 6.448 -11.726 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.598 7.801 -12.592 1.00 0.00 H new ATOM 103 N ILE A 8 4.629 4.981 -8.722 1.00 0.00 N ATOM 104 CA ILE A 8 5.051 3.598 -8.571 1.00 0.00 C ATOM 105 C ILE A 8 3.994 2.664 -9.151 1.00 0.00 C ATOM 106 O ILE A 8 2.865 2.620 -8.662 1.00 0.00 O ATOM 107 CB ILE A 8 5.292 3.219 -7.093 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.860 4.401 -6.295 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.239 2.027 -7.012 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.201 4.898 -6.789 1.00 0.00 C ATOM 0 H ILE A 8 3.846 5.255 -8.128 1.00 0.00 H new ATOM 0 HA ILE A 8 5.993 3.492 -9.109 1.00 0.00 H new ATOM 0 HB ILE A 8 4.332 2.951 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.146 5.224 -6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.957 4.106 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.405 1.765 -5.967 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.800 1.177 -7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.190 2.286 -7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.530 5.733 -6.171 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.932 4.092 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.108 5.227 -7.824 1.00 0.00 H new ATOM 122 N PRO A 9 4.330 1.932 -10.221 1.00 0.00 N ATOM 123 CA PRO A 9 3.405 0.979 -10.839 1.00 0.00 C ATOM 124 C PRO A 9 3.201 -0.270 -9.981 1.00 0.00 C ATOM 125 O PRO A 9 4.164 -0.908 -9.549 1.00 0.00 O ATOM 126 CB PRO A 9 4.084 0.622 -12.161 1.00 0.00 C ATOM 127 CG PRO A 9 5.537 0.877 -11.936 1.00 0.00 C ATOM 128 CD PRO A 9 5.628 1.982 -10.917 1.00 0.00 C ATOM 0 HA PRO A 9 2.408 1.402 -10.964 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.904 -0.419 -12.428 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.699 1.232 -12.979 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.037 -0.023 -11.577 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.028 1.166 -12.865 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.457 1.822 -10.228 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.790 2.950 -11.391 1.00 0.00 H new ATOM 136 N VAL A 10 1.944 -0.607 -9.734 1.00 0.00 N ATOM 137 CA VAL A 10 1.606 -1.754 -8.902 1.00 0.00 C ATOM 138 C VAL A 10 1.680 -3.048 -9.697 1.00 0.00 C ATOM 139 O VAL A 10 1.149 -3.134 -10.805 1.00 0.00 O ATOM 140 CB VAL A 10 0.188 -1.629 -8.310 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.139 -2.826 -7.434 1.00 0.00 C ATOM 142 CG2 VAL A 10 0.042 -0.344 -7.526 1.00 0.00 C ATOM 0 H VAL A 10 1.137 -0.101 -10.099 1.00 0.00 H new ATOM 0 HA VAL A 10 2.335 -1.774 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.520 -1.606 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.144 -2.716 -7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.086 -3.738 -8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.579 -2.885 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.967 -0.279 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.765 -0.332 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.223 0.506 -8.184 1.00 0.00 H new ATOM 152 N VAL A 11 2.333 -4.047 -9.127 1.00 0.00 N ATOM 153 CA VAL A 11 2.371 -5.365 -9.727 1.00 0.00 C ATOM 154 C VAL A 11 1.268 -6.230 -9.128 1.00 0.00 C ATOM 155 O VAL A 11 1.277 -6.516 -7.931 1.00 0.00 O ATOM 156 CB VAL A 11 3.735 -6.050 -9.506 1.00 0.00 C ATOM 157 CG1 VAL A 11 3.741 -7.437 -10.126 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.862 -5.201 -10.074 1.00 0.00 C ATOM 0 H VAL A 11 2.844 -3.967 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 11 2.219 -5.250 -10.800 1.00 0.00 H new ATOM 0 HB VAL A 11 3.897 -6.154 -8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.711 -7.905 -9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.962 -8.044 -9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.555 -7.358 -11.197 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.815 -5.703 -9.907 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.708 -5.061 -11.144 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.872 -4.230 -9.578 1.00 0.00 H new ATOM 168 N GLU A 12 0.300 -6.614 -9.945 1.00 0.00 N ATOM 169 CA GLU A 12 -0.787 -7.451 -9.469 1.00 0.00 C ATOM 170 C GLU A 12 -0.458 -8.916 -9.654 1.00 0.00 C ATOM 171 O GLU A 12 -0.384 -9.424 -10.775 1.00 0.00 O ATOM 172 CB GLU A 12 -2.103 -7.105 -10.153 1.00 0.00 C ATOM 173 CG GLU A 12 -2.603 -5.722 -9.789 1.00 0.00 C ATOM 174 CD GLU A 12 -4.092 -5.569 -9.990 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.856 -6.012 -9.108 1.00 0.00 O ATOM 176 OE2 GLU A 12 -4.510 -4.998 -11.015 1.00 0.00 O ATOM 0 H GLU A 12 0.245 -6.362 -10.932 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.908 -7.256 -8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.974 -7.168 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.856 -7.844 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.358 -5.514 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.081 -4.981 -10.394 1.00 0.00 H new ATOM 183 N VAL A 13 -0.258 -9.580 -8.538 1.00 0.00 N ATOM 184 CA VAL A 13 0.134 -10.980 -8.526 1.00 0.00 C ATOM 185 C VAL A 13 -0.789 -11.811 -7.644 1.00 0.00 C ATOM 186 O VAL A 13 -1.723 -11.289 -7.033 1.00 0.00 O ATOM 187 CB VAL A 13 1.589 -11.152 -8.041 1.00 0.00 C ATOM 188 CG1 VAL A 13 2.568 -10.837 -9.160 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.863 -10.264 -6.833 1.00 0.00 C ATOM 0 H VAL A 13 -0.361 -9.169 -7.610 1.00 0.00 H new ATOM 0 HA VAL A 13 0.056 -11.335 -9.554 1.00 0.00 H new ATOM 0 HB VAL A 13 1.726 -12.192 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.588 -10.964 -8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.393 -11.513 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.426 -9.808 -9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.894 -10.401 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.704 -9.221 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.187 -10.535 -6.022 1.00 0.00 H new ATOM 199 N ASP A 14 -0.515 -13.104 -7.586 1.00 0.00 N ATOM 200 CA ASP A 14 -1.286 -14.024 -6.767 1.00 0.00 C ATOM 201 C ASP A 14 -0.664 -14.099 -5.380 1.00 0.00 C ATOM 202 O ASP A 14 -1.347 -14.335 -4.382 1.00 0.00 O ATOM 203 CB ASP A 14 -1.307 -15.407 -7.429 1.00 0.00 C ATOM 204 CG ASP A 14 -2.054 -16.444 -6.618 1.00 0.00 C ATOM 205 OD1 ASP A 14 -3.289 -16.537 -6.755 1.00 0.00 O ATOM 206 OD2 ASP A 14 -1.405 -17.186 -5.853 1.00 0.00 O ATOM 0 H ASP A 14 0.246 -13.544 -8.104 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.313 -13.671 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.767 -15.325 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.282 -15.745 -7.583 1.00 0.00 H new ATOM 211 N GLU A 15 0.641 -13.860 -5.343 1.00 0.00 N ATOM 212 CA GLU A 15 1.410 -13.855 -4.111 1.00 0.00 C ATOM 213 C GLU A 15 2.797 -13.300 -4.396 1.00 0.00 C ATOM 214 O GLU A 15 3.204 -13.211 -5.556 1.00 0.00 O ATOM 215 CB GLU A 15 1.510 -15.265 -3.530 1.00 0.00 C ATOM 216 CG GLU A 15 2.345 -16.226 -4.360 1.00 0.00 C ATOM 217 CD GLU A 15 2.415 -17.609 -3.747 1.00 0.00 C ATOM 218 OE1 GLU A 15 3.110 -17.775 -2.725 1.00 0.00 O ATOM 219 OE2 GLU A 15 1.773 -18.537 -4.283 1.00 0.00 O ATOM 0 H GLU A 15 1.197 -13.663 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 15 0.908 -13.226 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.936 -15.203 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.505 -15.674 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.923 -16.297 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.354 -15.827 -4.466 1.00 0.00 H new ATOM 226 N LEU A 16 3.517 -12.922 -3.351 1.00 0.00 N ATOM 227 CA LEU A 16 4.840 -12.346 -3.520 1.00 0.00 C ATOM 228 C LEU A 16 5.864 -13.441 -3.781 1.00 0.00 C ATOM 229 O LEU A 16 5.774 -14.535 -3.217 1.00 0.00 O ATOM 230 CB LEU A 16 5.258 -11.542 -2.283 1.00 0.00 C ATOM 231 CG LEU A 16 4.289 -10.453 -1.811 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.471 -9.896 -2.962 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.385 -10.984 -0.719 1.00 0.00 C ATOM 0 H LEU A 16 3.209 -13.003 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 16 4.800 -11.672 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.413 -12.240 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.221 -11.075 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 16 4.883 -9.634 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.795 -9.126 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.139 -9.463 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.891 -10.698 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.704 -10.197 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.810 -11.828 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.990 -11.310 0.127 1.00 0.00 H new ATOM 245 N PRO A 17 6.854 -13.153 -4.640 1.00 0.00 N ATOM 246 CA PRO A 17 7.903 -14.107 -4.991 1.00 0.00 C ATOM 247 C PRO A 17 8.883 -14.344 -3.844 1.00 0.00 C ATOM 248 O PRO A 17 8.779 -13.718 -2.786 1.00 0.00 O ATOM 249 CB PRO A 17 8.606 -13.457 -6.182 1.00 0.00 C ATOM 250 CG PRO A 17 8.358 -11.998 -6.026 1.00 0.00 C ATOM 251 CD PRO A 17 7.029 -11.861 -5.332 1.00 0.00 C ATOM 0 HA PRO A 17 7.494 -15.092 -5.217 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.673 -13.678 -6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.206 -13.827 -7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.151 -11.530 -5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.342 -11.502 -6.996 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.030 -11.028 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.224 -11.677 -6.043 1.00 0.00 H new ATOM 259 N GLU A 18 9.805 -15.276 -4.053 1.00 0.00 N ATOM 260 CA GLU A 18 10.823 -15.614 -3.062 1.00 0.00 C ATOM 261 C GLU A 18 11.517 -14.366 -2.516 1.00 0.00 C ATOM 262 O GLU A 18 11.823 -13.427 -3.255 1.00 0.00 O ATOM 263 CB GLU A 18 11.855 -16.548 -3.691 1.00 0.00 C ATOM 264 CG GLU A 18 12.537 -15.945 -4.905 1.00 0.00 C ATOM 265 CD GLU A 18 13.451 -16.918 -5.608 1.00 0.00 C ATOM 266 OE1 GLU A 18 12.946 -17.751 -6.393 1.00 0.00 O ATOM 267 OE2 GLU A 18 14.677 -16.858 -5.381 1.00 0.00 O ATOM 0 H GLU A 18 9.869 -15.820 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 18 10.330 -16.111 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.609 -16.802 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.367 -17.479 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.779 -15.596 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.112 -15.072 -4.596 1.00 0.00 H new ATOM 274 N GLY A 19 11.748 -14.356 -1.214 1.00 0.00 N ATOM 275 CA GLY A 19 12.408 -13.230 -0.583 1.00 0.00 C ATOM 276 C GLY A 19 11.422 -12.274 0.055 1.00 0.00 C ATOM 277 O GLY A 19 11.816 -11.309 0.711 1.00 0.00 O ATOM 0 H GLY A 19 11.490 -15.111 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.100 -13.595 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.001 -12.696 -1.325 1.00 0.00 H new ATOM 281 N TYR A 20 10.140 -12.536 -0.140 1.00 0.00 N ATOM 282 CA TYR A 20 9.097 -11.695 0.425 1.00 0.00 C ATOM 283 C TYR A 20 8.402 -12.373 1.595 1.00 0.00 C ATOM 284 O TYR A 20 8.281 -13.600 1.642 1.00 0.00 O ATOM 285 CB TYR A 20 8.066 -11.325 -0.631 1.00 0.00 C ATOM 286 CG TYR A 20 8.526 -10.251 -1.586 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.412 -8.911 -1.251 1.00 0.00 C ATOM 288 CD2 TYR A 20 9.058 -10.575 -2.823 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.819 -7.922 -2.121 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.468 -9.594 -3.700 1.00 0.00 C ATOM 291 CZ TYR A 20 9.348 -8.269 -3.347 1.00 0.00 C ATOM 292 OH TYR A 20 9.763 -7.289 -4.219 1.00 0.00 O ATOM 0 H TYR A 20 9.796 -13.326 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 20 9.581 -10.789 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.808 -12.218 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.156 -10.990 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.997 -8.637 -0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.153 -11.613 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.724 -6.882 -1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.882 -9.864 -4.660 1.00 0.00 H new ATOM 0 HH TYR A 20 9.119 -7.210 -4.953 1.00 0.00 H new ATOM 302 N ASP A 21 7.946 -11.557 2.527 1.00 0.00 N ATOM 303 CA ASP A 21 7.253 -12.040 3.708 1.00 0.00 C ATOM 304 C ASP A 21 5.781 -11.652 3.651 1.00 0.00 C ATOM 305 O ASP A 21 5.408 -10.520 3.976 1.00 0.00 O ATOM 306 CB ASP A 21 7.902 -11.470 4.969 1.00 0.00 C ATOM 307 CG ASP A 21 7.234 -11.966 6.232 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.420 -13.149 6.582 1.00 0.00 O ATOM 309 OD2 ASP A 21 6.528 -11.174 6.887 1.00 0.00 O ATOM 0 H ASP A 21 8.045 -10.543 2.487 1.00 0.00 H new ATOM 0 HA ASP A 21 7.326 -13.127 3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.957 -11.743 4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.855 -10.381 4.939 1.00 0.00 H new ATOM 314 N ARG A 22 4.953 -12.588 3.221 1.00 0.00 N ATOM 315 CA ARG A 22 3.526 -12.347 3.088 1.00 0.00 C ATOM 316 C ARG A 22 2.844 -12.467 4.445 1.00 0.00 C ATOM 317 O ARG A 22 3.233 -13.285 5.279 1.00 0.00 O ATOM 318 CB ARG A 22 2.922 -13.321 2.071 1.00 0.00 C ATOM 319 CG ARG A 22 1.431 -13.146 1.844 1.00 0.00 C ATOM 320 CD ARG A 22 1.048 -13.472 0.409 1.00 0.00 C ATOM 321 NE ARG A 22 -0.399 -13.469 0.208 1.00 0.00 N ATOM 322 CZ ARG A 22 -1.070 -14.412 -0.454 1.00 0.00 C ATOM 323 NH1 ARG A 22 -0.437 -15.458 -0.969 1.00 0.00 N ATOM 324 NH2 ARG A 22 -2.386 -14.310 -0.592 1.00 0.00 N ATOM 0 H ARG A 22 5.247 -13.528 2.956 1.00 0.00 H new ATOM 0 HA ARG A 22 3.365 -11.333 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.439 -13.200 1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.109 -14.341 2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.879 -13.793 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.144 -12.120 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.507 -12.746 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.448 -14.450 0.142 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.932 -12.693 0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.573 -15.547 -0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.961 -16.173 -1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.880 -13.512 -0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.903 -15.029 -1.098 1.00 0.00 H new ATOM 491 N GLU B 33 -13.151 0.390 3.192 1.00 0.00 N ATOM 492 CA GLU B 33 -12.439 0.540 4.437 1.00 0.00 C ATOM 493 C GLU B 33 -11.112 -0.196 4.354 1.00 0.00 C ATOM 494 O GLU B 33 -11.053 -1.419 4.477 1.00 0.00 O ATOM 495 CB GLU B 33 -13.278 0.013 5.600 1.00 0.00 C ATOM 496 CG GLU B 33 -12.575 0.114 6.936 1.00 0.00 C ATOM 497 CD GLU B 33 -13.341 -0.556 8.049 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.419 -0.051 8.426 1.00 0.00 O ATOM 499 OE2 GLU B 33 -12.869 -1.591 8.559 1.00 0.00 O ATOM 0 HA GLU B 33 -12.247 1.598 4.615 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.214 0.570 5.646 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.536 -1.029 5.410 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -11.587 -0.339 6.857 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.425 1.165 7.185 1.00 0.00 H new ATOM 506 N TYR B 34 -10.061 0.552 4.090 1.00 0.00 N ATOM 507 CA TYR B 34 -8.730 -0.013 4.023 1.00 0.00 C ATOM 508 C TYR B 34 -8.095 -0.041 5.400 1.00 0.00 C ATOM 509 O TYR B 34 -8.207 0.917 6.170 1.00 0.00 O ATOM 510 CB TYR B 34 -7.846 0.785 3.072 1.00 0.00 C ATOM 511 CG TYR B 34 -8.254 0.692 1.623 1.00 0.00 C ATOM 512 CD1 TYR B 34 -8.006 -0.457 0.887 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.880 1.756 0.991 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.372 -0.544 -0.440 1.00 0.00 C ATOM 515 CE2 TYR B 34 -9.249 1.677 -0.334 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.994 0.525 -1.046 1.00 0.00 C ATOM 517 OH TYR B 34 -9.366 0.440 -2.368 1.00 0.00 O ATOM 0 H TYR B 34 -10.103 1.556 3.918 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.820 -1.032 3.647 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.859 1.832 3.375 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.818 0.437 3.171 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.519 -1.297 1.360 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -9.081 2.660 1.546 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -8.172 -1.445 -1.001 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.736 2.514 -0.812 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.660 -0.010 -2.878 1.00 0.00 H new ATOM 527 N GLU B 35 -7.434 -1.141 5.698 1.00 0.00 N ATOM 528 CA GLU B 35 -6.742 -1.302 6.954 1.00 0.00 C ATOM 529 C GLU B 35 -5.245 -1.289 6.700 1.00 0.00 C ATOM 530 O GLU B 35 -4.713 -2.175 6.033 1.00 0.00 O ATOM 531 CB GLU B 35 -7.154 -2.612 7.622 1.00 0.00 C ATOM 532 CG GLU B 35 -6.552 -2.809 9.001 1.00 0.00 C ATOM 533 CD GLU B 35 -6.805 -4.196 9.547 1.00 0.00 C ATOM 534 OE1 GLU B 35 -6.260 -5.169 8.986 1.00 0.00 O ATOM 535 OE2 GLU B 35 -7.558 -4.325 10.535 1.00 0.00 O ATOM 0 H GLU B 35 -7.363 -1.946 5.075 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.005 -0.482 7.622 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.241 -2.643 7.702 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.858 -3.444 6.983 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -5.478 -2.630 8.955 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -6.969 -2.070 9.686 1.00 0.00 H new ATOM 542 N VAL B 36 -4.589 -0.262 7.203 1.00 0.00 N ATOM 543 CA VAL B 36 -3.153 -0.105 7.039 1.00 0.00 C ATOM 544 C VAL B 36 -2.403 -0.688 8.229 1.00 0.00 C ATOM 545 O VAL B 36 -2.648 -0.312 9.377 1.00 0.00 O ATOM 546 CB VAL B 36 -2.770 1.381 6.881 1.00 0.00 C ATOM 547 CG1 VAL B 36 -1.263 1.538 6.752 1.00 0.00 C ATOM 548 CG2 VAL B 36 -3.480 1.991 5.683 1.00 0.00 C ATOM 0 H VAL B 36 -5.033 0.486 7.736 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.871 -0.644 6.135 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.090 1.914 7.776 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.015 2.594 6.642 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.778 1.143 7.645 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.914 0.990 5.877 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -3.197 3.039 5.588 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -3.194 1.454 4.778 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.558 1.917 5.823 1.00 0.00 H new ATOM 558 N LYS B 37 -1.494 -1.609 7.951 1.00 0.00 N ATOM 559 CA LYS B 37 -0.663 -2.207 8.982 1.00 0.00 C ATOM 560 C LYS B 37 0.788 -1.889 8.678 1.00 0.00 C ATOM 561 O LYS B 37 1.231 -2.044 7.543 1.00 0.00 O ATOM 562 CB LYS B 37 -0.869 -3.729 9.059 1.00 0.00 C ATOM 563 CG LYS B 37 -2.307 -4.154 9.336 1.00 0.00 C ATOM 564 CD LYS B 37 -3.168 -4.062 8.087 1.00 0.00 C ATOM 565 CE LYS B 37 -3.278 -5.389 7.361 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.087 -6.374 8.125 1.00 0.00 N ATOM 0 H LYS B 37 -1.313 -1.961 7.011 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.946 -1.792 9.950 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.545 -4.176 8.119 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.226 -4.132 9.842 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.319 -5.177 9.712 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.730 -3.522 10.117 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -4.165 -3.717 8.361 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.747 -3.316 7.413 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -3.729 -5.230 6.382 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.280 -5.793 7.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -4.602 -6.989 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.459 -6.953 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.767 -5.870 8.729 1.00 0.00 H new ATOM 580 N MET B 38 1.516 -1.425 9.674 1.00 0.00 N ATOM 581 CA MET B 38 2.894 -1.018 9.470 1.00 0.00 C ATOM 582 C MET B 38 3.821 -1.864 10.325 1.00 0.00 C ATOM 583 O MET B 38 3.542 -2.105 11.501 1.00 0.00 O ATOM 584 CB MET B 38 3.058 0.458 9.803 1.00 0.00 C ATOM 585 CG MET B 38 3.985 1.167 8.848 1.00 0.00 C ATOM 586 SD MET B 38 3.700 2.938 8.766 1.00 0.00 S ATOM 587 CE MET B 38 4.451 3.269 7.179 1.00 0.00 C ATOM 0 H MET B 38 1.179 -1.320 10.631 1.00 0.00 H new ATOM 0 HA MET B 38 3.157 -1.168 8.423 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.082 0.942 9.783 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.442 0.557 10.818 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.016 0.985 9.151 1.00 0.00 H new ATOM 0 HG3 MET B 38 3.866 0.740 7.852 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.334 3.894 7.317 1.00 0.00 H new ATOM 0 HE2 MET B 38 4.742 2.329 6.711 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.736 3.787 6.539 1.00 0.00 H new ATOM 597 N LYS B 39 4.920 -2.314 9.745 1.00 0.00 N ATOM 598 CA LYS B 39 5.803 -3.246 10.432 1.00 0.00 C ATOM 599 C LYS B 39 7.262 -2.941 10.116 1.00 0.00 C ATOM 600 O LYS B 39 7.634 -2.769 8.956 1.00 0.00 O ATOM 601 CB LYS B 39 5.452 -4.682 10.025 1.00 0.00 C ATOM 602 CG LYS B 39 5.672 -5.722 11.117 1.00 0.00 C ATOM 603 CD LYS B 39 7.144 -5.939 11.418 1.00 0.00 C ATOM 604 CE LYS B 39 7.344 -6.925 12.555 1.00 0.00 C ATOM 605 NZ LYS B 39 6.706 -6.458 13.813 1.00 0.00 N ATOM 0 H LYS B 39 5.223 -2.053 8.807 1.00 0.00 H new ATOM 0 HA LYS B 39 5.664 -3.136 11.508 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.407 -4.713 9.717 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.049 -4.956 9.155 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.161 -5.405 12.026 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.223 -6.667 10.811 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.648 -6.307 10.524 1.00 0.00 H new ATOM 0 HD3 LYS B 39 7.607 -4.987 11.676 1.00 0.00 H new ATOM 0 HE2 LYS B 39 6.927 -7.892 12.274 1.00 0.00 H new ATOM 0 HE3 LYS B 39 8.411 -7.074 12.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 7.082 -7.002 14.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 6.911 -5.448 13.952 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 5.677 -6.597 13.753 1.00 0.00 H new ATOM 619 N ARG B 40 8.080 -2.877 11.156 1.00 0.00 N ATOM 620 CA ARG B 40 9.500 -2.584 11.010 1.00 0.00 C ATOM 621 C ARG B 40 10.306 -3.867 10.838 1.00 0.00 C ATOM 622 O ARG B 40 10.125 -4.830 11.584 1.00 0.00 O ATOM 623 CB ARG B 40 10.010 -1.812 12.232 1.00 0.00 C ATOM 624 CG ARG B 40 9.767 -0.308 12.180 1.00 0.00 C ATOM 625 CD ARG B 40 8.292 0.049 12.015 1.00 0.00 C ATOM 626 NE ARG B 40 7.461 -0.441 13.116 1.00 0.00 N ATOM 627 CZ ARG B 40 6.168 -0.141 13.255 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.576 0.679 12.396 1.00 0.00 N ATOM 629 NH2 ARG B 40 5.471 -0.646 14.262 1.00 0.00 N ATOM 0 H ARG B 40 7.782 -3.026 12.120 1.00 0.00 H new ATOM 0 HA ARG B 40 9.629 -1.971 10.118 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.531 -2.213 13.125 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.080 -1.990 12.337 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.146 0.148 13.094 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.334 0.118 11.352 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.191 1.132 11.944 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.925 -0.367 11.077 1.00 0.00 H new ATOM 0 HE ARG B 40 7.894 -1.045 13.815 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.109 1.083 11.626 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.588 0.906 12.506 1.00 0.00 H new ATOM 0 HH21 ARG B 40 5.922 -1.266 14.934 1.00 0.00 H new ATOM 0 HH22 ARG B 40 4.483 -0.415 14.365 1.00 0.00 H new ATOM 643 N PHE B 41 11.184 -3.879 9.846 1.00 0.00 N ATOM 644 CA PHE B 41 12.055 -5.025 9.604 1.00 0.00 C ATOM 645 C PHE B 41 13.513 -4.645 9.786 1.00 0.00 C ATOM 646 O PHE B 41 13.904 -3.501 9.544 1.00 0.00 O ATOM 647 CB PHE B 41 11.850 -5.597 8.199 1.00 0.00 C ATOM 648 CG PHE B 41 10.646 -6.483 8.075 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.370 -5.969 8.209 1.00 0.00 C ATOM 650 CD2 PHE B 41 10.797 -7.837 7.822 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.266 -6.787 8.097 1.00 0.00 C ATOM 652 CE2 PHE B 41 9.696 -8.661 7.707 1.00 0.00 C ATOM 653 CZ PHE B 41 8.427 -8.135 7.845 1.00 0.00 C ATOM 0 H PHE B 41 11.314 -3.107 9.193 1.00 0.00 H new ATOM 0 HA PHE B 41 11.789 -5.789 10.334 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.757 -4.773 7.491 1.00 0.00 H new ATOM 0 HB3 PHE B 41 12.737 -6.163 7.915 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.236 -4.915 8.404 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.788 -8.252 7.714 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.274 -6.373 8.206 1.00 0.00 H new ATOM 0 HE2 PHE B 41 9.827 -9.715 7.510 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.563 -8.776 7.756 1.00 0.00 H new ATOM 663 N LYS B 42 14.306 -5.609 10.220 1.00 0.00 N ATOM 664 CA LYS B 42 15.732 -5.414 10.398 1.00 0.00 C ATOM 665 C LYS B 42 16.487 -6.570 9.761 1.00 0.00 C ATOM 666 O LYS B 42 16.253 -7.734 10.094 1.00 0.00 O ATOM 667 CB LYS B 42 16.087 -5.315 11.886 1.00 0.00 C ATOM 668 CG LYS B 42 15.468 -4.122 12.606 1.00 0.00 C ATOM 669 CD LYS B 42 15.930 -2.793 12.019 1.00 0.00 C ATOM 670 CE LYS B 42 17.435 -2.612 12.141 1.00 0.00 C ATOM 671 NZ LYS B 42 17.888 -1.317 11.569 1.00 0.00 N ATOM 0 H LYS B 42 13.980 -6.546 10.458 1.00 0.00 H new ATOM 0 HA LYS B 42 16.019 -4.480 9.915 1.00 0.00 H new ATOM 0 HB2 LYS B 42 15.767 -6.230 12.384 1.00 0.00 H new ATOM 0 HB3 LYS B 42 17.171 -5.260 11.985 1.00 0.00 H new ATOM 0 HG2 LYS B 42 14.382 -4.186 12.545 1.00 0.00 H new ATOM 0 HG3 LYS B 42 15.731 -4.161 13.663 1.00 0.00 H new ATOM 0 HD2 LYS B 42 15.642 -2.740 10.969 1.00 0.00 H new ATOM 0 HD3 LYS B 42 15.423 -1.975 12.530 1.00 0.00 H new ATOM 0 HE2 LYS B 42 17.723 -2.665 13.191 1.00 0.00 H new ATOM 0 HE3 LYS B 42 17.941 -3.431 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 18.919 -1.234 11.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 17.637 -1.276 10.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 17.425 -0.534 12.073 1.00 0.00 H new ATOM 685 N GLY B 43 17.371 -6.249 8.831 1.00 0.00 N ATOM 686 CA GLY B 43 18.159 -7.271 8.172 1.00 0.00 C ATOM 687 C GLY B 43 17.397 -7.955 7.060 1.00 0.00 C ATOM 688 O GLY B 43 17.696 -9.093 6.698 1.00 0.00 O ATOM 0 H GLY B 43 17.558 -5.296 8.519 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.065 -6.822 7.766 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.472 -8.014 8.905 1.00 0.00 H new ATOM 692 N ALA B 44 16.400 -7.267 6.522 1.00 0.00 N ATOM 693 CA ALA B 44 15.609 -7.801 5.430 1.00 0.00 C ATOM 694 C ALA B 44 15.845 -6.992 4.164 1.00 0.00 C ATOM 695 O ALA B 44 16.481 -5.936 4.205 1.00 0.00 O ATOM 696 CB ALA B 44 14.134 -7.797 5.799 1.00 0.00 C ATOM 0 H ALA B 44 16.121 -6.335 6.828 1.00 0.00 H new ATOM 0 HA ALA B 44 15.916 -8.830 5.244 1.00 0.00 H new ATOM 0 HB1 ALA B 44 13.551 -8.200 4.971 1.00 0.00 H new ATOM 0 HB2 ALA B 44 13.979 -8.412 6.685 1.00 0.00 H new ATOM 0 HB3 ALA B 44 13.813 -6.776 6.005 1.00 0.00 H new ATOM 702 N ALA B 45 15.329 -7.486 3.041 1.00 0.00 N ATOM 703 CA ALA B 45 15.435 -6.778 1.769 1.00 0.00 C ATOM 704 C ALA B 45 14.564 -5.526 1.785 1.00 0.00 C ATOM 705 O ALA B 45 14.649 -4.676 0.902 1.00 0.00 O ATOM 706 CB ALA B 45 15.034 -7.692 0.623 1.00 0.00 C ATOM 0 H ALA B 45 14.833 -8.375 2.987 1.00 0.00 H new ATOM 0 HA ALA B 45 16.472 -6.475 1.623 1.00 0.00 H new ATOM 0 HB1 ALA B 45 15.118 -7.151 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.692 -8.561 0.603 1.00 0.00 H new ATOM 0 HB3 ALA B 45 14.004 -8.020 0.763 1.00 0.00 H new ATOM 712 N TYR B 46 13.730 -5.439 2.805 1.00 0.00 N ATOM 713 CA TYR B 46 12.866 -4.296 3.026 1.00 0.00 C ATOM 714 C TYR B 46 12.903 -3.940 4.502 1.00 0.00 C ATOM 715 O TYR B 46 12.968 -4.822 5.354 1.00 0.00 O ATOM 716 CB TYR B 46 11.437 -4.613 2.574 1.00 0.00 C ATOM 717 CG TYR B 46 11.107 -6.084 2.644 1.00 0.00 C ATOM 718 CD1 TYR B 46 10.820 -6.697 3.855 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.112 -6.862 1.496 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.552 -8.048 3.920 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.838 -8.210 1.551 1.00 0.00 C ATOM 722 CZ TYR B 46 10.563 -8.798 2.764 1.00 0.00 C ATOM 723 OH TYR B 46 10.311 -10.144 2.820 1.00 0.00 O ATOM 0 H TYR B 46 13.633 -6.169 3.511 1.00 0.00 H new ATOM 0 HA TYR B 46 13.215 -3.446 2.440 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.734 -4.059 3.196 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.300 -4.264 1.550 1.00 0.00 H new ATOM 0 HD1 TYR B 46 10.806 -6.108 4.760 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.334 -6.403 0.544 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.335 -8.515 4.869 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.839 -8.802 0.648 1.00 0.00 H new ATOM 0 HH TYR B 46 10.924 -10.617 2.219 1.00 0.00 H new ATOM 733 N LYS B 47 12.884 -2.657 4.796 1.00 0.00 N ATOM 734 CA LYS B 47 13.017 -2.186 6.166 1.00 0.00 C ATOM 735 C LYS B 47 11.647 -1.906 6.746 1.00 0.00 C ATOM 736 O LYS B 47 11.473 -1.832 7.966 1.00 0.00 O ATOM 737 CB LYS B 47 13.873 -0.913 6.236 1.00 0.00 C ATOM 738 CG LYS B 47 15.327 -1.093 5.801 1.00 0.00 C ATOM 739 CD LYS B 47 15.462 -1.313 4.298 1.00 0.00 C ATOM 740 CE LYS B 47 14.940 -0.128 3.495 1.00 0.00 C ATOM 741 NZ LYS B 47 14.894 -0.430 2.044 1.00 0.00 N ATOM 0 H LYS B 47 12.777 -1.915 4.104 1.00 0.00 H new ATOM 0 HA LYS B 47 13.513 -2.965 6.745 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.413 -0.148 5.610 1.00 0.00 H new ATOM 0 HB3 LYS B 47 13.859 -0.538 7.259 1.00 0.00 H new ATOM 0 HG2 LYS B 47 15.901 -0.213 6.089 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.759 -1.943 6.330 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.509 -1.485 4.050 1.00 0.00 H new ATOM 0 HD3 LYS B 47 14.915 -2.212 4.013 1.00 0.00 H new ATOM 0 HE2 LYS B 47 13.942 0.137 3.844 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.579 0.738 3.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.615 0.424 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.833 -0.741 1.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.201 -1.185 1.868 1.00 0.00 H new ATOM 755 N LEU B 48 10.681 -1.734 5.863 1.00 0.00 N ATOM 756 CA LEU B 48 9.316 -1.476 6.274 1.00 0.00 C ATOM 757 C LEU B 48 8.339 -2.314 5.453 1.00 0.00 C ATOM 758 O LEU B 48 8.444 -2.395 4.228 1.00 0.00 O ATOM 759 CB LEU B 48 8.997 0.017 6.122 1.00 0.00 C ATOM 760 CG LEU B 48 8.225 0.648 7.287 1.00 0.00 C ATOM 761 CD1 LEU B 48 6.884 -0.029 7.482 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.031 0.573 8.569 1.00 0.00 C ATOM 0 H LEU B 48 10.819 -1.769 4.853 1.00 0.00 H new ATOM 0 HA LEU B 48 9.209 -1.756 7.322 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.933 0.560 5.993 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.419 0.156 5.208 1.00 0.00 H new ATOM 0 HG LEU B 48 8.052 1.695 7.040 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.358 0.438 8.314 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.290 0.073 6.574 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.038 -1.086 7.698 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.464 1.026 9.382 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.238 -0.470 8.808 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.971 1.109 8.439 1.00 0.00 H new ATOM 774 N ARG B 49 7.408 -2.951 6.147 1.00 0.00 N ATOM 775 CA ARG B 49 6.339 -3.704 5.509 1.00 0.00 C ATOM 776 C ARG B 49 5.004 -3.054 5.838 1.00 0.00 C ATOM 777 O ARG B 49 4.663 -2.892 7.008 1.00 0.00 O ATOM 778 CB ARG B 49 6.338 -5.152 6.006 1.00 0.00 C ATOM 779 CG ARG B 49 5.351 -6.054 5.282 1.00 0.00 C ATOM 780 CD ARG B 49 5.154 -7.371 6.022 1.00 0.00 C ATOM 781 NE ARG B 49 4.437 -7.184 7.285 1.00 0.00 N ATOM 782 CZ ARG B 49 4.379 -8.092 8.260 1.00 0.00 C ATOM 783 NH1 ARG B 49 5.012 -9.254 8.142 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.685 -7.832 9.360 1.00 0.00 N ATOM 0 H ARG B 49 7.372 -2.961 7.166 1.00 0.00 H new ATOM 0 HA ARG B 49 6.497 -3.703 4.431 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.341 -5.564 5.894 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.107 -5.159 7.071 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.393 -5.543 5.184 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.711 -6.253 4.272 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.600 -8.064 5.389 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.125 -7.826 6.219 1.00 0.00 H new ATOM 0 HE ARG B 49 3.949 -6.300 7.429 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.549 -9.459 7.299 1.00 0.00 H new ATOM 0 HH12 ARG B 49 4.961 -9.941 8.894 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.199 -6.941 9.457 1.00 0.00 H new ATOM 0 HH22 ARG B 49 3.638 -8.523 10.108 1.00 0.00 H new ATOM 798 N ILE B 50 4.265 -2.659 4.818 1.00 0.00 N ATOM 799 CA ILE B 50 2.971 -2.026 5.026 1.00 0.00 C ATOM 800 C ILE B 50 1.895 -2.843 4.324 1.00 0.00 C ATOM 801 O ILE B 50 2.033 -3.183 3.150 1.00 0.00 O ATOM 802 CB ILE B 50 2.916 -0.556 4.514 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.088 0.289 5.032 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.614 0.100 4.945 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.421 0.001 4.377 1.00 0.00 C ATOM 0 H ILE B 50 4.535 -2.764 3.840 1.00 0.00 H new ATOM 0 HA ILE B 50 2.801 -1.994 6.102 1.00 0.00 H new ATOM 0 HB ILE B 50 2.982 -0.600 3.427 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.849 1.343 4.887 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.185 0.129 6.106 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.586 1.127 4.582 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.772 -0.454 4.530 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.548 0.098 6.033 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.186 0.647 4.809 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.690 -1.042 4.543 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.349 0.191 3.306 1.00 0.00 H new ATOM 817 N LEU B 51 0.842 -3.175 5.048 1.00 0.00 N ATOM 818 CA LEU B 51 -0.234 -3.978 4.501 1.00 0.00 C ATOM 819 C LEU B 51 -1.504 -3.157 4.446 1.00 0.00 C ATOM 820 O LEU B 51 -1.966 -2.657 5.466 1.00 0.00 O ATOM 821 CB LEU B 51 -0.461 -5.232 5.351 1.00 0.00 C ATOM 822 CG LEU B 51 0.247 -6.505 4.878 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.277 -6.922 3.518 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.754 -6.315 4.831 1.00 0.00 C ATOM 0 H LEU B 51 0.710 -2.899 6.021 1.00 0.00 H new ATOM 0 HA LEU B 51 0.042 -4.290 3.494 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -0.138 -5.019 6.370 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.532 -5.430 5.391 1.00 0.00 H new ATOM 0 HG LEU B 51 0.034 -7.296 5.597 1.00 0.00 H new ATOM 0 HD11 LEU B 51 0.234 -7.828 3.193 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.348 -7.114 3.584 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.095 -6.124 2.798 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.227 -7.237 4.491 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.998 -5.507 4.141 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.120 -6.065 5.827 1.00 0.00 H new ATOM 836 N ILE B 52 -2.048 -2.996 3.255 1.00 0.00 N ATOM 837 CA ILE B 52 -3.289 -2.262 3.090 1.00 0.00 C ATOM 838 C ILE B 52 -4.329 -3.152 2.429 1.00 0.00 C ATOM 839 O ILE B 52 -4.274 -3.402 1.226 1.00 0.00 O ATOM 840 CB ILE B 52 -3.114 -0.975 2.248 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.988 -0.097 2.804 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.417 -0.191 2.206 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.627 -0.418 2.229 1.00 0.00 C ATOM 0 H ILE B 52 -1.652 -3.362 2.389 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.616 -1.963 4.086 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.843 -1.271 1.235 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.221 0.948 2.602 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.951 -0.211 3.887 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.280 0.712 1.611 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.197 -0.806 1.758 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.709 0.084 3.220 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.119 0.243 2.669 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.372 -1.454 2.454 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.646 -0.276 1.149 1.00 0.00 H new ATOM 855 N GLU B 53 -5.262 -3.646 3.217 1.00 0.00 N ATOM 856 CA GLU B 53 -6.299 -4.516 2.695 1.00 0.00 C ATOM 857 C GLU B 53 -7.652 -3.831 2.776 1.00 0.00 C ATOM 858 O GLU B 53 -7.875 -2.959 3.616 1.00 0.00 O ATOM 859 CB GLU B 53 -6.320 -5.846 3.448 1.00 0.00 C ATOM 860 CG GLU B 53 -6.686 -5.715 4.914 1.00 0.00 C ATOM 861 CD GLU B 53 -6.497 -7.010 5.678 1.00 0.00 C ATOM 862 OE1 GLU B 53 -5.336 -7.437 5.866 1.00 0.00 O ATOM 863 OE2 GLU B 53 -7.508 -7.622 6.081 1.00 0.00 O ATOM 0 H GLU B 53 -5.325 -3.461 4.218 1.00 0.00 H new ATOM 0 HA GLU B 53 -6.080 -4.725 1.648 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -7.031 -6.515 2.964 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.338 -6.313 3.369 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.075 -4.936 5.369 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.725 -5.395 4.999 1.00 0.00 H new ATOM 870 N ASN B 54 -8.545 -4.229 1.893 1.00 0.00 N ATOM 871 CA ASN B 54 -9.863 -3.619 1.800 1.00 0.00 C ATOM 872 C ASN B 54 -10.873 -4.493 2.519 1.00 0.00 C ATOM 873 O ASN B 54 -11.171 -5.598 2.074 1.00 0.00 O ATOM 874 CB ASN B 54 -10.271 -3.464 0.332 1.00 0.00 C ATOM 875 CG ASN B 54 -11.389 -2.450 0.100 1.00 0.00 C ATOM 876 OD1 ASN B 54 -11.412 -1.770 -0.925 1.00 0.00 O ATOM 877 ND2 ASN B 54 -12.332 -2.349 1.025 1.00 0.00 N ATOM 0 H ASN B 54 -8.383 -4.980 1.222 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.834 -2.633 2.264 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.397 -3.165 -0.247 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.590 -4.434 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -13.104 -1.694 0.897 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -12.286 -2.926 1.865 1.00 0.00 H new ATOM 884 N LYS B 55 -11.386 -4.002 3.630 1.00 0.00 N ATOM 885 CA LYS B 55 -12.366 -4.740 4.398 1.00 0.00 C ATOM 886 C LYS B 55 -13.520 -3.836 4.816 1.00 0.00 C ATOM 887 O LYS B 55 -13.470 -3.178 5.855 1.00 0.00 O ATOM 888 CB LYS B 55 -11.695 -5.351 5.630 1.00 0.00 C ATOM 889 CG LYS B 55 -10.793 -4.374 6.384 1.00 0.00 C ATOM 890 CD LYS B 55 -10.290 -4.974 7.684 1.00 0.00 C ATOM 891 CE LYS B 55 -11.417 -5.136 8.690 1.00 0.00 C ATOM 892 NZ LYS B 55 -11.761 -3.858 9.370 1.00 0.00 N ATOM 0 H LYS B 55 -11.139 -3.093 4.021 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.772 -5.538 3.776 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.465 -5.718 6.308 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.104 -6.213 5.321 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.945 -4.101 5.756 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.343 -3.457 6.594 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.834 -5.944 7.487 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.513 -4.336 8.105 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -12.300 -5.523 8.182 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -11.129 -5.876 9.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -12.327 -4.058 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -10.888 -3.365 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -12.309 -3.257 8.722 1.00 0.00 H new ATOM 906 N ALA B 56 -14.557 -3.799 3.999 1.00 0.00 N ATOM 907 CA ALA B 56 -15.750 -3.043 4.329 1.00 0.00 C ATOM 908 C ALA B 56 -17.002 -3.849 3.979 1.00 0.00 C ATOM 909 O ALA B 56 -16.912 -4.802 3.206 1.00 0.00 O ATOM 910 CB ALA B 56 -15.721 -1.713 3.599 1.00 0.00 C ATOM 0 H ALA B 56 -14.597 -4.284 3.102 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.776 -2.847 5.401 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.617 -1.143 3.846 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.838 -1.151 3.903 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.687 -1.889 2.524 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.832 1.521 -8.208 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.631 1.697 -7.417 1.00 0.00 C ATOM 1029 C PHE B 64 -3.562 2.406 -8.224 1.00 0.00 C ATOM 1030 O PHE B 64 -2.988 1.841 -9.157 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.106 0.355 -6.908 1.00 0.00 C ATOM 1032 CG PHE B 64 -4.931 -0.220 -5.795 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -4.694 0.158 -4.485 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.942 -1.129 -6.056 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.449 -0.362 -3.452 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.703 -1.652 -5.028 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.455 -1.268 -3.724 1.00 0.00 C ATOM 0 HA PHE B 64 -4.886 2.312 -6.554 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -4.079 -0.354 -7.735 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.080 0.481 -6.563 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -3.910 0.868 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -6.138 -1.433 -7.074 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.253 -0.061 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.490 -2.360 -5.243 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.047 -1.676 -2.918 1.00 0.00 H new ATOM 1047 N SER B 65 -3.308 3.646 -7.859 1.00 0.00 N ATOM 1048 CA SER B 65 -2.288 4.439 -8.512 1.00 0.00 C ATOM 1049 C SER B 65 -1.455 5.149 -7.451 1.00 0.00 C ATOM 1050 O SER B 65 -1.651 6.333 -7.173 1.00 0.00 O ATOM 1051 CB SER B 65 -2.936 5.449 -9.467 1.00 0.00 C ATOM 1052 OG SER B 65 -1.966 6.174 -10.205 1.00 0.00 O ATOM 0 H SER B 65 -3.799 4.129 -7.107 1.00 0.00 H new ATOM 0 HA SER B 65 -1.637 3.792 -9.100 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.599 4.925 -10.155 1.00 0.00 H new ATOM 0 HB3 SER B 65 -3.553 6.144 -8.897 1.00 0.00 H new ATOM 0 HG SER B 65 -2.416 6.806 -10.804 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.511 4.419 -6.844 1.00 0.00 N ATOM 1059 CA PRO B 66 0.348 4.953 -5.802 1.00 0.00 C ATOM 1060 C PRO B 66 1.548 5.687 -6.374 1.00 0.00 C ATOM 1061 O PRO B 66 1.940 5.470 -7.525 1.00 0.00 O ATOM 1062 CB PRO B 66 0.789 3.700 -5.054 1.00 0.00 C ATOM 1063 CG PRO B 66 0.825 2.639 -6.095 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.219 3.003 -7.121 1.00 0.00 C ATOM 0 HA PRO B 66 -0.159 5.687 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.767 3.837 -4.592 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.092 3.449 -4.255 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.813 2.579 -6.552 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.615 1.662 -5.659 1.00 0.00 H new ATOM 0 HD2 PRO B 66 0.153 2.863 -8.136 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.111 2.384 -7.020 1.00 0.00 H new ATOM 1072 N SER B 67 2.124 6.562 -5.576 1.00 0.00 N ATOM 1073 CA SER B 67 3.269 7.345 -6.000 1.00 0.00 C ATOM 1074 C SER B 67 4.041 7.839 -4.786 1.00 0.00 C ATOM 1075 O SER B 67 3.453 8.149 -3.748 1.00 0.00 O ATOM 1076 CB SER B 67 2.837 8.536 -6.862 1.00 0.00 C ATOM 1077 OG SER B 67 2.027 8.123 -7.953 1.00 0.00 O ATOM 0 H SER B 67 1.816 6.751 -4.622 1.00 0.00 H new ATOM 0 HA SER B 67 3.912 6.704 -6.602 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.287 9.250 -6.249 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.720 9.053 -7.238 1.00 0.00 H new ATOM 0 HG SER B 67 2.127 7.157 -8.088 1.00 0.00 H new ATOM 1083 N TYR B 68 5.352 7.897 -4.922 1.00 0.00 N ATOM 1084 CA TYR B 68 6.212 8.328 -3.840 1.00 0.00 C ATOM 1085 C TYR B 68 6.704 9.739 -4.088 1.00 0.00 C ATOM 1086 O TYR B 68 7.221 10.050 -5.161 1.00 0.00 O ATOM 1087 CB TYR B 68 7.404 7.386 -3.687 1.00 0.00 C ATOM 1088 CG TYR B 68 8.429 7.870 -2.688 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.164 7.858 -1.324 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.660 8.346 -3.115 1.00 0.00 C ATOM 1091 CE1 TYR B 68 9.102 8.308 -0.415 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.600 8.796 -2.211 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.317 8.777 -0.864 1.00 0.00 C ATOM 1094 OH TYR B 68 11.257 9.224 0.036 1.00 0.00 O ATOM 0 H TYR B 68 5.846 7.649 -5.779 1.00 0.00 H new ATOM 0 HA TYR B 68 5.631 8.309 -2.918 1.00 0.00 H new ATOM 0 HB2 TYR B 68 7.044 6.404 -3.380 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.885 7.260 -4.657 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.212 7.492 -0.970 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.886 8.365 -4.171 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.884 8.292 0.643 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.555 9.162 -2.559 1.00 0.00 H new ATOM 0 HH TYR B 68 12.126 8.821 -0.171 1.00 0.00 H new ATOM 1104 N ASN B 69 6.543 10.589 -3.099 1.00 0.00 N ATOM 1105 CA ASN B 69 7.001 11.951 -3.196 1.00 0.00 C ATOM 1106 C ASN B 69 8.192 12.155 -2.278 1.00 0.00 C ATOM 1107 O ASN B 69 8.128 11.855 -1.090 1.00 0.00 O ATOM 1108 CB ASN B 69 5.844 12.885 -2.856 1.00 0.00 C ATOM 1109 CG ASN B 69 6.201 13.969 -1.884 1.00 0.00 C ATOM 1110 OD1 ASN B 69 6.758 14.998 -2.245 1.00 0.00 O ATOM 1111 ND2 ASN B 69 5.837 13.743 -0.638 1.00 0.00 N ATOM 0 H ASN B 69 6.094 10.356 -2.213 1.00 0.00 H new ATOM 0 HA ASN B 69 7.331 12.176 -4.210 1.00 0.00 H new ATOM 0 HB2 ASN B 69 5.477 13.342 -3.775 1.00 0.00 H new ATOM 0 HB3 ASN B 69 5.025 12.296 -2.443 1.00 0.00 H new ATOM 0 HD21 ASN B 69 6.017 14.444 0.081 1.00 0.00 H new ATOM 0 HD22 ASN B 69 5.376 12.867 -0.392 1.00 0.00 H new ATOM 1118 N PHE B 70 9.282 12.637 -2.847 1.00 0.00 N ATOM 1119 CA PHE B 70 10.530 12.805 -2.110 1.00 0.00 C ATOM 1120 C PHE B 70 10.474 14.012 -1.192 1.00 0.00 C ATOM 1121 O PHE B 70 11.182 14.067 -0.188 1.00 0.00 O ATOM 1122 CB PHE B 70 11.704 12.967 -3.075 1.00 0.00 C ATOM 1123 CG PHE B 70 11.940 11.777 -3.956 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.193 11.595 -5.104 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.912 10.844 -3.636 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.407 10.504 -5.919 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.132 9.748 -4.448 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.378 9.578 -5.593 1.00 0.00 C ATOM 0 H PHE B 70 9.332 12.922 -3.825 1.00 0.00 H new ATOM 0 HA PHE B 70 10.671 11.910 -1.505 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.527 13.841 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.609 13.165 -2.500 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.433 12.316 -5.366 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.504 10.974 -2.742 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.815 10.373 -6.813 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.892 9.026 -4.188 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.548 8.723 -6.231 1.00 0.00 H new ATOM 1138 N ALA B 71 9.622 14.972 -1.533 1.00 0.00 N ATOM 1139 CA ALA B 71 9.548 16.223 -0.782 1.00 0.00 C ATOM 1140 C ALA B 71 9.126 15.983 0.662 1.00 0.00 C ATOM 1141 O ALA B 71 9.673 16.586 1.586 1.00 0.00 O ATOM 1142 CB ALA B 71 8.602 17.199 -1.456 1.00 0.00 C ATOM 0 H ALA B 71 8.976 14.911 -2.320 1.00 0.00 H new ATOM 0 HA ALA B 71 10.547 16.659 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.562 18.124 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.958 17.414 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.605 16.761 -1.509 1.00 0.00 H new ATOM 1148 N GLU B 72 8.152 15.104 0.856 1.00 0.00 N ATOM 1149 CA GLU B 72 7.694 14.774 2.196 1.00 0.00 C ATOM 1150 C GLU B 72 8.041 13.338 2.531 1.00 0.00 C ATOM 1151 O GLU B 72 7.814 12.901 3.651 1.00 0.00 O ATOM 1152 CB GLU B 72 6.184 14.946 2.329 1.00 0.00 C ATOM 1153 CG GLU B 72 5.634 16.164 1.612 1.00 0.00 C ATOM 1154 CD GLU B 72 4.136 16.301 1.775 1.00 0.00 C ATOM 1155 OE1 GLU B 72 3.696 16.864 2.800 1.00 0.00 O ATOM 1156 OE2 GLU B 72 3.392 15.838 0.884 1.00 0.00 O ATOM 0 H GLU B 72 7.667 14.610 0.107 1.00 0.00 H new ATOM 0 HA GLU B 72 8.194 15.456 2.884 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.692 14.055 1.939 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.929 15.014 3.386 1.00 0.00 H new ATOM 0 HG2 GLU B 72 6.122 17.060 1.996 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.877 16.099 0.551 1.00 0.00 H new ATOM 1163 N ASN B 73 8.534 12.612 1.513 1.00 0.00 N ATOM 1164 CA ASN B 73 8.917 11.190 1.610 1.00 0.00 C ATOM 1165 C ASN B 73 7.715 10.343 2.000 1.00 0.00 C ATOM 1166 O ASN B 73 7.795 9.425 2.822 1.00 0.00 O ATOM 1167 CB ASN B 73 10.149 10.911 2.515 1.00 0.00 C ATOM 1168 CG ASN B 73 10.030 11.396 3.947 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.536 12.466 4.296 1.00 0.00 O ATOM 1170 ND2 ASN B 73 9.352 10.631 4.778 1.00 0.00 N ATOM 0 H ASN B 73 8.681 13.003 0.582 1.00 0.00 H new ATOM 0 HA ASN B 73 9.248 10.897 0.614 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.333 9.837 2.528 1.00 0.00 H new ATOM 0 HB3 ASN B 73 11.024 11.379 2.063 1.00 0.00 H new ATOM 0 HD21 ASN B 73 9.230 10.916 5.750 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.949 9.753 4.450 1.00 0.00 H new ATOM 1177 N ILE B 74 6.591 10.670 1.375 1.00 0.00 N ATOM 1178 CA ILE B 74 5.344 9.948 1.590 1.00 0.00 C ATOM 1179 C ILE B 74 5.014 9.098 0.364 1.00 0.00 C ATOM 1180 O ILE B 74 5.192 9.538 -0.774 1.00 0.00 O ATOM 1181 CB ILE B 74 4.159 10.914 1.868 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.230 11.578 3.257 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.828 10.189 1.728 1.00 0.00 C ATOM 1184 CD1 ILE B 74 5.428 11.217 4.102 1.00 0.00 C ATOM 0 H ILE B 74 6.518 11.439 0.709 1.00 0.00 H new ATOM 0 HA ILE B 74 5.483 9.312 2.464 1.00 0.00 H new ATOM 0 HB ILE B 74 4.237 11.704 1.121 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.218 12.660 3.122 1.00 0.00 H new ATOM 0 HG13 ILE B 74 3.328 11.316 3.810 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.012 10.884 1.927 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.732 9.797 0.715 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.785 9.366 2.441 1.00 0.00 H new ATOM 0 HD11 ILE B 74 5.372 11.742 5.056 1.00 0.00 H new ATOM 0 HD12 ILE B 74 5.437 10.142 4.280 1.00 0.00 H new ATOM 0 HD13 ILE B 74 6.341 11.506 3.581 1.00 0.00 H new ATOM 1196 N LEU B 75 4.549 7.882 0.609 1.00 0.00 N ATOM 1197 CA LEU B 75 4.085 6.996 -0.449 1.00 0.00 C ATOM 1198 C LEU B 75 2.558 6.931 -0.396 1.00 0.00 C ATOM 1199 O LEU B 75 1.981 6.234 0.436 1.00 0.00 O ATOM 1200 CB LEU B 75 4.728 5.602 -0.270 1.00 0.00 C ATOM 1201 CG LEU B 75 4.429 4.536 -1.342 1.00 0.00 C ATOM 1202 CD1 LEU B 75 3.120 3.820 -1.060 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.406 5.149 -2.732 1.00 0.00 C ATOM 0 H LEU B 75 4.483 7.482 1.545 1.00 0.00 H new ATOM 0 HA LEU B 75 4.380 7.371 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.809 5.734 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.410 5.207 0.695 1.00 0.00 H new ATOM 0 HG LEU B 75 5.233 3.802 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.939 3.075 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.176 3.328 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.304 4.543 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.193 4.374 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.633 5.916 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.376 5.598 -2.948 1.00 0.00 H new ATOM 1215 N TYR B 76 1.900 7.683 -1.262 1.00 0.00 N ATOM 1216 CA TYR B 76 0.446 7.740 -1.245 1.00 0.00 C ATOM 1217 C TYR B 76 -0.126 6.599 -2.078 1.00 0.00 C ATOM 1218 O TYR B 76 0.458 6.207 -3.089 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.049 9.111 -1.747 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.642 9.108 -3.140 1.00 0.00 C ATOM 1221 CD1 TYR B 76 0.154 9.309 -4.260 1.00 0.00 C ATOM 1222 CD2 TYR B 76 -2.005 8.909 -3.330 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -0.392 9.310 -5.529 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -2.555 8.909 -4.593 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.746 9.110 -5.688 1.00 0.00 C ATOM 1226 OH TYR B 76 -2.292 9.106 -6.951 1.00 0.00 O ATOM 0 H TYR B 76 2.343 8.257 -1.979 1.00 0.00 H new ATOM 0 HA TYR B 76 0.095 7.622 -0.220 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -0.799 9.487 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.786 9.812 -1.726 1.00 0.00 H new ATOM 0 HD1 TYR B 76 1.215 9.467 -4.137 1.00 0.00 H new ATOM 0 HD2 TYR B 76 -2.643 8.752 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR B 76 0.239 9.467 -6.392 1.00 0.00 H new ATOM 0 HE2 TYR B 76 -3.616 8.752 -4.723 1.00 0.00 H new ATOM 0 HH TYR B 76 -2.204 8.212 -7.342 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.257 6.058 -1.637 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.874 4.922 -2.311 1.00 0.00 C ATOM 1238 C ILE B 77 -3.101 5.352 -3.103 1.00 0.00 C ATOM 1239 O ILE B 77 -3.254 5.007 -4.274 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.294 3.829 -1.302 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.073 3.251 -0.577 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.072 2.722 -2.002 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.095 2.541 -1.489 1.00 0.00 C ATOM 0 H ILE B 77 -1.765 6.388 -0.816 1.00 0.00 H new ATOM 0 HA ILE B 77 -1.125 4.516 -2.991 1.00 0.00 H new ATOM 0 HB ILE B 77 -2.943 4.291 -0.558 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.553 4.059 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.414 2.553 0.187 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.358 1.963 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.968 3.141 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.447 2.269 -2.772 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.740 2.161 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.597 1.711 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.277 3.240 -2.238 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.977 6.100 -2.453 1.00 0.00 N ATOM 1256 CA ASN B 78 -5.234 6.500 -3.053 1.00 0.00 C ATOM 1257 C ASN B 78 -5.609 7.878 -2.543 1.00 0.00 C ATOM 1258 O ASN B 78 -4.951 8.408 -1.649 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.318 5.487 -2.674 1.00 0.00 C ATOM 1260 CG ASN B 78 -7.034 4.906 -3.874 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -8.071 5.410 -4.298 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.486 3.835 -4.421 1.00 0.00 N ATOM 0 H ASN B 78 -3.837 6.443 -1.503 1.00 0.00 H new ATOM 0 HA ASN B 78 -5.139 6.531 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -5.866 4.677 -2.101 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -7.046 5.970 -2.023 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.925 3.393 -5.229 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -5.624 3.450 -4.036 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.678 8.447 -3.082 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.177 9.710 -2.568 1.00 0.00 C ATOM 1271 C GLY B 79 -7.873 9.524 -1.234 1.00 0.00 C ATOM 1272 O GLY B 79 -8.435 10.461 -0.669 1.00 0.00 O ATOM 0 H GLY B 79 -7.208 8.060 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.350 10.411 -2.455 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.871 10.148 -3.285 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.815 8.296 -0.741 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.471 7.907 0.493 1.00 0.00 C ATOM 1278 C LYS B 80 -7.464 7.844 1.633 1.00 0.00 C ATOM 1279 O LYS B 80 -7.783 8.159 2.780 1.00 0.00 O ATOM 1280 CB LYS B 80 -9.109 6.536 0.297 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.811 6.405 -1.040 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.267 4.980 -1.301 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.267 4.901 -2.447 1.00 0.00 C ATOM 1284 NZ LYS B 80 -10.788 5.595 -3.672 1.00 0.00 N ATOM 0 H LYS B 80 -7.306 7.536 -1.192 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.233 8.644 0.746 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.340 5.767 0.376 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.825 6.355 1.098 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -10.672 7.072 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -9.138 6.723 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -9.401 4.359 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -10.719 4.573 -0.397 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.465 3.855 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -12.213 5.341 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -11.335 5.267 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -10.913 6.621 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -9.781 5.383 -3.820 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.243 7.434 1.306 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.197 7.268 2.306 1.00 0.00 C ATOM 1300 C LEU B 81 -3.800 7.332 1.689 1.00 0.00 C ATOM 1301 O LEU B 81 -3.598 7.018 0.509 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.381 5.961 3.098 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.858 4.730 2.311 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.909 4.380 1.178 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -5.997 3.548 3.246 1.00 0.00 C ATOM 0 H LEU B 81 -5.954 7.210 0.354 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.289 8.104 3.000 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.430 5.714 3.570 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.095 6.148 3.900 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.825 4.971 1.871 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -5.283 3.504 0.647 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.841 5.221 0.488 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.921 4.163 1.585 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.335 2.677 2.684 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.032 3.331 3.705 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.724 3.783 4.024 1.00 0.00 H new ATOM 1317 N SER B 82 -2.844 7.753 2.498 1.00 0.00 N ATOM 1318 CA SER B 82 -1.462 7.840 2.074 1.00 0.00 C ATOM 1319 C SER B 82 -0.556 7.223 3.135 1.00 0.00 C ATOM 1320 O SER B 82 -0.825 7.340 4.331 1.00 0.00 O ATOM 1321 CB SER B 82 -1.084 9.301 1.818 1.00 0.00 C ATOM 1322 OG SER B 82 -1.416 10.116 2.931 1.00 0.00 O ATOM 0 H SER B 82 -3.005 8.043 3.463 1.00 0.00 H new ATOM 0 HA SER B 82 -1.334 7.285 1.145 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.015 9.374 1.616 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.602 9.664 0.930 1.00 0.00 H new ATOM 0 HG SER B 82 -1.163 11.044 2.744 1.00 0.00 H new ATOM 1328 N ILE B 83 0.501 6.558 2.700 1.00 0.00 N ATOM 1329 CA ILE B 83 1.406 5.879 3.614 1.00 0.00 C ATOM 1330 C ILE B 83 2.673 6.705 3.823 1.00 0.00 C ATOM 1331 O ILE B 83 3.517 6.798 2.933 1.00 0.00 O ATOM 1332 CB ILE B 83 1.785 4.478 3.080 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.523 3.652 2.796 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.689 3.752 4.063 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.377 3.470 3.999 1.00 0.00 C ATOM 0 H ILE B 83 0.755 6.473 1.716 1.00 0.00 H new ATOM 0 HA ILE B 83 0.890 5.763 4.567 1.00 0.00 H new ATOM 0 HB ILE B 83 2.332 4.605 2.146 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.044 4.136 2.001 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.819 2.671 2.425 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.943 2.769 3.666 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.601 4.329 4.213 1.00 0.00 H new ATOM 0 HG23 ILE B 83 2.172 3.637 5.016 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.246 2.876 3.717 1.00 0.00 H new ATOM 0 HD12 ILE B 83 0.171 2.958 4.789 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.705 4.445 4.359 1.00 0.00 H new ATOM 1347 N PRO B 84 2.816 7.334 4.995 1.00 0.00 N ATOM 1348 CA PRO B 84 3.980 8.152 5.297 1.00 0.00 C ATOM 1349 C PRO B 84 5.167 7.320 5.763 1.00 0.00 C ATOM 1350 O PRO B 84 5.024 6.417 6.592 1.00 0.00 O ATOM 1351 CB PRO B 84 3.485 9.059 6.417 1.00 0.00 C ATOM 1352 CG PRO B 84 2.433 8.267 7.121 1.00 0.00 C ATOM 1353 CD PRO B 84 1.859 7.298 6.115 1.00 0.00 C ATOM 0 HA PRO B 84 4.343 8.691 4.422 1.00 0.00 H new ATOM 0 HB2 PRO B 84 4.296 9.328 7.094 1.00 0.00 H new ATOM 0 HB3 PRO B 84 3.079 9.990 6.021 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.857 7.733 7.971 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.655 8.922 7.512 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.772 6.295 6.533 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.861 7.599 5.796 1.00 0.00 H new ATOM 1361 N LEU B 85 6.338 7.627 5.231 1.00 0.00 N ATOM 1362 CA LEU B 85 7.540 6.885 5.583 1.00 0.00 C ATOM 1363 C LEU B 85 8.353 7.646 6.621 1.00 0.00 C ATOM 1364 O LEU B 85 8.318 8.875 6.664 1.00 0.00 O ATOM 1365 CB LEU B 85 8.408 6.613 4.344 1.00 0.00 C ATOM 1366 CG LEU B 85 7.829 5.628 3.320 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.286 4.385 4.007 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.752 6.287 2.477 1.00 0.00 C ATOM 0 H LEU B 85 6.483 8.380 4.558 1.00 0.00 H new ATOM 0 HA LEU B 85 7.227 5.929 6.003 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.595 7.562 3.841 1.00 0.00 H new ATOM 0 HB3 LEU B 85 9.374 6.233 4.678 1.00 0.00 H new ATOM 0 HG LEU B 85 8.639 5.324 2.657 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.881 3.703 3.259 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.090 3.890 4.552 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.497 4.669 4.703 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.359 5.566 1.760 1.00 0.00 H new ATOM 0 HD22 LEU B 85 5.945 6.633 3.123 1.00 0.00 H new ATOM 0 HD23 LEU B 85 7.177 7.136 1.942 1.00 0.00 H new ATOM 1380 N PRO B 86 9.072 6.923 7.492 1.00 0.00 N ATOM 1381 CA PRO B 86 9.969 7.542 8.459 1.00 0.00 C ATOM 1382 C PRO B 86 11.168 8.182 7.772 1.00 0.00 C ATOM 1383 O PRO B 86 11.708 7.637 6.807 1.00 0.00 O ATOM 1384 CB PRO B 86 10.412 6.386 9.356 1.00 0.00 C ATOM 1385 CG PRO B 86 10.191 5.154 8.549 1.00 0.00 C ATOM 1386 CD PRO B 86 9.056 5.453 7.606 1.00 0.00 C ATOM 0 HA PRO B 86 9.483 8.343 9.015 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.460 6.488 9.640 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.833 6.360 10.279 1.00 0.00 H new ATOM 0 HG2 PRO B 86 11.092 4.886 7.997 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.947 4.308 9.192 1.00 0.00 H new ATOM 0 HD2 PRO B 86 9.204 4.975 6.638 1.00 0.00 H new ATOM 0 HD3 PRO B 86 8.105 5.092 7.998 1.00 0.00 H new ATOM 1394 N ARG B 87 11.593 9.323 8.288 1.00 0.00 N ATOM 1395 CA ARG B 87 12.659 10.097 7.663 1.00 0.00 C ATOM 1396 C ARG B 87 14.020 9.497 7.987 1.00 0.00 C ATOM 1397 O ARG B 87 15.054 9.999 7.550 1.00 0.00 O ATOM 1398 CB ARG B 87 12.605 11.565 8.110 1.00 0.00 C ATOM 1399 CG ARG B 87 11.475 12.371 7.476 1.00 0.00 C ATOM 1400 CD ARG B 87 10.102 11.922 7.955 1.00 0.00 C ATOM 1401 NE ARG B 87 9.024 12.604 7.240 1.00 0.00 N ATOM 1402 CZ ARG B 87 7.727 12.405 7.471 1.00 0.00 C ATOM 1403 NH1 ARG B 87 7.333 11.546 8.403 1.00 0.00 N ATOM 1404 NH2 ARG B 87 6.820 13.067 6.765 1.00 0.00 N ATOM 0 H ARG B 87 11.216 9.737 9.141 1.00 0.00 H new ATOM 0 HA ARG B 87 12.511 10.061 6.584 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.497 11.599 9.194 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.555 12.042 7.869 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.611 13.427 7.709 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.528 12.275 6.392 1.00 0.00 H new ATOM 0 HD2 ARG B 87 10.004 10.845 7.818 1.00 0.00 H new ATOM 0 HD3 ARG B 87 10.009 12.117 9.023 1.00 0.00 H new ATOM 0 HE ARG B 87 9.282 13.276 6.517 1.00 0.00 H new ATOM 0 HH11 ARG B 87 8.025 11.032 8.949 1.00 0.00 H new ATOM 0 HH12 ARG B 87 6.338 11.399 8.574 1.00 0.00 H new ATOM 0 HH21 ARG B 87 7.116 13.727 6.046 1.00 0.00 H new ATOM 0 HH22 ARG B 87 5.827 12.916 6.941 1.00 0.00 H new ATOM 1418 N ASP B 88 14.004 8.415 8.754 1.00 0.00 N ATOM 1419 CA ASP B 88 15.224 7.698 9.103 1.00 0.00 C ATOM 1420 C ASP B 88 15.622 6.762 7.969 1.00 0.00 C ATOM 1421 O ASP B 88 16.757 6.291 7.896 1.00 0.00 O ATOM 1422 CB ASP B 88 15.005 6.903 10.397 1.00 0.00 C ATOM 1423 CG ASP B 88 16.216 6.087 10.809 1.00 0.00 C ATOM 1424 OD1 ASP B 88 17.217 6.680 11.261 1.00 0.00 O ATOM 1425 OD2 ASP B 88 16.171 4.846 10.700 1.00 0.00 O ATOM 0 H ASP B 88 13.154 8.012 9.149 1.00 0.00 H new ATOM 0 HA ASP B 88 16.029 8.416 9.260 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.749 7.593 11.201 1.00 0.00 H new ATOM 0 HB3 ASP B 88 14.153 6.236 10.266 1.00 0.00 H new ATOM 1430 N ILE B 89 14.683 6.517 7.066 1.00 0.00 N ATOM 1431 CA ILE B 89 14.895 5.578 5.979 1.00 0.00 C ATOM 1432 C ILE B 89 15.001 6.304 4.644 1.00 0.00 C ATOM 1433 O ILE B 89 14.209 7.202 4.343 1.00 0.00 O ATOM 1434 CB ILE B 89 13.750 4.546 5.908 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.597 3.842 7.257 1.00 0.00 C ATOM 1436 CG2 ILE B 89 14.006 3.530 4.802 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.491 2.812 7.279 1.00 0.00 C ATOM 0 H ILE B 89 13.764 6.959 7.067 1.00 0.00 H new ATOM 0 HA ILE B 89 15.832 5.058 6.178 1.00 0.00 H new ATOM 0 HB ILE B 89 12.823 5.071 5.677 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.539 3.357 7.513 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.403 4.588 8.027 1.00 0.00 H new ATOM 0 HG21 ILE B 89 13.186 2.812 4.770 1.00 0.00 H new ATOM 0 HG22 ILE B 89 14.075 4.045 3.844 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.940 3.005 5.000 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.441 2.353 8.267 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.540 3.295 7.054 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.694 2.044 6.532 1.00 0.00 H new ATOM 1449 N VAL B 90 15.993 5.924 3.857 1.00 0.00 N ATOM 1450 CA VAL B 90 16.152 6.454 2.512 1.00 0.00 C ATOM 1451 C VAL B 90 15.289 5.650 1.537 1.00 0.00 C ATOM 1452 O VAL B 90 15.504 4.455 1.332 1.00 0.00 O ATOM 1453 CB VAL B 90 17.639 6.451 2.069 1.00 0.00 C ATOM 1454 CG1 VAL B 90 18.266 5.073 2.230 1.00 0.00 C ATOM 1455 CG2 VAL B 90 17.778 6.941 0.635 1.00 0.00 C ATOM 0 H VAL B 90 16.705 5.246 4.128 1.00 0.00 H new ATOM 0 HA VAL B 90 15.820 7.492 2.509 1.00 0.00 H new ATOM 0 HB VAL B 90 18.178 7.139 2.721 1.00 0.00 H new ATOM 0 HG11 VAL B 90 19.308 5.108 1.910 1.00 0.00 H new ATOM 0 HG12 VAL B 90 18.217 4.771 3.276 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.723 4.352 1.619 1.00 0.00 H new ATOM 0 HG21 VAL B 90 18.829 6.930 0.347 1.00 0.00 H new ATOM 0 HG22 VAL B 90 17.213 6.287 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL B 90 17.392 7.957 0.559 1.00 0.00 H new ATOM 1465 N VAL B 91 14.289 6.301 0.963 1.00 0.00 N ATOM 1466 CA VAL B 91 13.317 5.610 0.130 1.00 0.00 C ATOM 1467 C VAL B 91 13.300 6.176 -1.283 1.00 0.00 C ATOM 1468 O VAL B 91 13.333 7.388 -1.486 1.00 0.00 O ATOM 1469 CB VAL B 91 11.897 5.698 0.740 1.00 0.00 C ATOM 1470 CG1 VAL B 91 10.892 4.929 -0.099 1.00 0.00 C ATOM 1471 CG2 VAL B 91 11.892 5.192 2.175 1.00 0.00 C ATOM 0 H VAL B 91 14.129 7.304 1.058 1.00 0.00 H new ATOM 0 HA VAL B 91 13.618 4.563 0.085 1.00 0.00 H new ATOM 0 HB VAL B 91 11.602 6.747 0.744 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.904 5.009 0.354 1.00 0.00 H new ATOM 0 HG12 VAL B 91 10.865 5.345 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.185 3.880 -0.148 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.884 5.264 2.583 1.00 0.00 H new ATOM 0 HG22 VAL B 91 12.219 4.152 2.195 1.00 0.00 H new ATOM 0 HG23 VAL B 91 12.570 5.797 2.777 1.00 0.00 H new ATOM 1481 N ASN B 92 13.274 5.275 -2.250 1.00 0.00 N ATOM 1482 CA ASN B 92 13.201 5.637 -3.657 1.00 0.00 C ATOM 1483 C ASN B 92 12.288 4.669 -4.388 1.00 0.00 C ATOM 1484 O ASN B 92 12.040 3.563 -3.910 1.00 0.00 O ATOM 1485 CB ASN B 92 14.587 5.626 -4.310 1.00 0.00 C ATOM 1486 CG ASN B 92 15.621 4.849 -3.521 1.00 0.00 C ATOM 1487 OD1 ASN B 92 16.436 5.426 -2.803 1.00 0.00 O ATOM 1488 ND2 ASN B 92 15.559 3.535 -3.608 1.00 0.00 N ATOM 0 H ASN B 92 13.303 4.269 -2.082 1.00 0.00 H new ATOM 0 HA ASN B 92 12.801 6.649 -3.724 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.506 5.197 -5.309 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.931 6.653 -4.431 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.203 2.957 -3.067 1.00 0.00 H new ATOM 0 HD22 ASN B 92 14.867 3.096 -4.216 1.00 0.00 H new ATOM 1495 N ALA B 93 11.817 5.080 -5.561 1.00 0.00 N ATOM 1496 CA ALA B 93 10.870 4.292 -6.352 1.00 0.00 C ATOM 1497 C ALA B 93 11.460 2.952 -6.770 1.00 0.00 C ATOM 1498 O ALA B 93 10.734 2.014 -7.094 1.00 0.00 O ATOM 1499 CB ALA B 93 10.446 5.078 -7.579 1.00 0.00 C ATOM 0 H ALA B 93 12.079 5.967 -5.992 1.00 0.00 H new ATOM 0 HA ALA B 93 10.000 4.089 -5.727 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.741 4.487 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA B 93 9.970 6.008 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.322 5.304 -8.187 1.00 0.00 H new ATOM 1505 N ALA B 94 12.779 2.875 -6.755 1.00 0.00 N ATOM 1506 CA ALA B 94 13.484 1.659 -7.139 1.00 0.00 C ATOM 1507 C ALA B 94 13.548 0.673 -5.978 1.00 0.00 C ATOM 1508 O ALA B 94 13.822 -0.512 -6.167 1.00 0.00 O ATOM 1509 CB ALA B 94 14.884 1.997 -7.619 1.00 0.00 C ATOM 0 H ALA B 94 13.389 3.644 -6.479 1.00 0.00 H new ATOM 0 HA ALA B 94 12.933 1.188 -7.953 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.402 1.081 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.823 2.662 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.434 2.491 -6.818 1.00 0.00 H new ATOM 1515 N ASP B 95 13.281 1.172 -4.780 1.00 0.00 N ATOM 1516 CA ASP B 95 13.357 0.361 -3.568 1.00 0.00 C ATOM 1517 C ASP B 95 11.953 0.000 -3.103 1.00 0.00 C ATOM 1518 O ASP B 95 11.743 -0.976 -2.388 1.00 0.00 O ATOM 1519 CB ASP B 95 14.097 1.143 -2.480 1.00 0.00 C ATOM 1520 CG ASP B 95 14.417 0.322 -1.251 1.00 0.00 C ATOM 1521 OD1 ASP B 95 14.792 -0.860 -1.399 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.351 0.881 -0.135 1.00 0.00 O ATOM 0 H ASP B 95 13.008 2.141 -4.618 1.00 0.00 H new ATOM 0 HA ASP B 95 13.902 -0.560 -3.775 1.00 0.00 H new ATOM 0 HB2 ASP B 95 15.025 1.536 -2.895 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.491 2.000 -2.186 1.00 0.00 H new ATOM 1527 N ILE B 96 10.998 0.808 -3.540 1.00 0.00 N ATOM 1528 CA ILE B 96 9.591 0.604 -3.236 1.00 0.00 C ATOM 1529 C ILE B 96 9.015 -0.557 -4.037 1.00 0.00 C ATOM 1530 O ILE B 96 9.023 -0.545 -5.270 1.00 0.00 O ATOM 1531 CB ILE B 96 8.810 1.893 -3.544 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.218 2.990 -2.570 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.306 1.659 -3.488 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.804 4.366 -3.020 1.00 0.00 C ATOM 0 H ILE B 96 11.180 1.628 -4.119 1.00 0.00 H new ATOM 0 HA ILE B 96 9.498 0.359 -2.178 1.00 0.00 H new ATOM 0 HB ILE B 96 9.055 2.207 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.775 2.785 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.300 2.967 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.784 2.590 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE B 96 7.028 0.903 -4.222 1.00 0.00 H new ATOM 0 HG23 ILE B 96 7.028 1.317 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.124 5.102 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.268 4.590 -3.981 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.720 4.404 -3.123 1.00 0.00 H new ATOM 1546 N LYS B 97 8.538 -1.566 -3.324 1.00 0.00 N ATOM 1547 CA LYS B 97 7.940 -2.737 -3.945 1.00 0.00 C ATOM 1548 C LYS B 97 6.449 -2.792 -3.620 1.00 0.00 C ATOM 1549 O LYS B 97 6.071 -3.045 -2.474 1.00 0.00 O ATOM 1550 CB LYS B 97 8.627 -4.012 -3.441 1.00 0.00 C ATOM 1551 CG LYS B 97 10.141 -3.896 -3.307 1.00 0.00 C ATOM 1552 CD LYS B 97 10.821 -3.557 -4.627 1.00 0.00 C ATOM 1553 CE LYS B 97 10.592 -4.635 -5.671 1.00 0.00 C ATOM 1554 NZ LYS B 97 11.443 -4.437 -6.871 1.00 0.00 N ATOM 0 H LYS B 97 8.554 -1.596 -2.305 1.00 0.00 H new ATOM 0 HA LYS B 97 8.071 -2.668 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.207 -4.278 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.396 -4.830 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.379 -3.127 -2.572 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.542 -4.836 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.441 -2.605 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.891 -3.431 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.801 -5.612 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS B 97 9.543 -4.636 -5.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 11.255 -5.194 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 11.226 -3.516 -7.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 12.445 -4.462 -6.594 1.00 0.00 H new ATOM 1568 N ILE B 98 5.611 -2.535 -4.616 1.00 0.00 N ATOM 1569 CA ILE B 98 4.164 -2.536 -4.416 1.00 0.00 C ATOM 1570 C ILE B 98 3.498 -3.683 -5.180 1.00 0.00 C ATOM 1571 O ILE B 98 3.575 -3.754 -6.408 1.00 0.00 O ATOM 1572 CB ILE B 98 3.539 -1.196 -4.858 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.210 -0.032 -4.124 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.039 -1.193 -4.599 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.673 1.328 -4.514 1.00 0.00 C ATOM 0 H ILE B 98 5.906 -2.323 -5.569 1.00 0.00 H new ATOM 0 HA ILE B 98 3.990 -2.674 -3.349 1.00 0.00 H new ATOM 0 HB ILE B 98 3.702 -1.075 -5.929 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.081 -0.169 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.282 -0.059 -4.322 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.617 -0.240 -4.917 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.571 -2.002 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.853 -1.335 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.197 2.101 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.827 1.488 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.607 1.376 -4.290 1.00 0.00 H new ATOM 1587 N PHE B 99 2.833 -4.568 -4.445 1.00 0.00 N ATOM 1588 CA PHE B 99 2.168 -5.724 -5.035 1.00 0.00 C ATOM 1589 C PHE B 99 0.719 -5.812 -4.571 1.00 0.00 C ATOM 1590 O PHE B 99 0.447 -5.961 -3.381 1.00 0.00 O ATOM 1591 CB PHE B 99 2.888 -7.020 -4.656 1.00 0.00 C ATOM 1592 CG PHE B 99 4.277 -7.144 -5.211 1.00 0.00 C ATOM 1593 CD1 PHE B 99 4.487 -7.689 -6.466 1.00 0.00 C ATOM 1594 CD2 PHE B 99 5.371 -6.728 -4.473 1.00 0.00 C ATOM 1595 CE1 PHE B 99 5.762 -7.813 -6.978 1.00 0.00 C ATOM 1596 CE2 PHE B 99 6.649 -6.850 -4.979 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.845 -7.394 -6.233 1.00 0.00 C ATOM 0 H PHE B 99 2.740 -4.505 -3.431 1.00 0.00 H new ATOM 0 HA PHE B 99 2.195 -5.597 -6.117 1.00 0.00 H new ATOM 0 HB2 PHE B 99 2.937 -7.090 -3.569 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.294 -7.866 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE B 99 3.642 -8.021 -7.051 1.00 0.00 H new ATOM 0 HD2 PHE B 99 5.223 -6.304 -3.491 1.00 0.00 H new ATOM 0 HE1 PHE B 99 5.912 -8.237 -7.960 1.00 0.00 H new ATOM 0 HE2 PHE B 99 7.495 -6.520 -4.395 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.845 -7.491 -6.630 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.208 -5.714 -5.506 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.623 -5.839 -5.183 1.00 0.00 C ATOM 1609 C HIS B 100 -2.128 -7.233 -5.521 1.00 0.00 C ATOM 1610 O HIS B 100 -2.050 -7.674 -6.666 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.457 -4.797 -5.936 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.931 -4.882 -5.658 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.867 -5.201 -6.622 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.632 -4.676 -4.516 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.072 -5.182 -6.087 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.958 -4.870 -4.813 1.00 0.00 N ATOM 0 H HIS B 100 -0.011 -5.549 -6.493 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.732 -5.666 -4.112 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.104 -3.801 -5.669 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.291 -4.918 -7.007 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.659 -5.418 -7.597 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.223 -4.409 -3.553 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -6.996 -5.388 -6.606 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.639 -7.922 -4.522 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.289 -9.199 -4.736 1.00 0.00 C ATOM 1627 C ILE B 101 -4.797 -9.004 -4.672 1.00 0.00 C ATOM 1628 O ILE B 101 -5.356 -8.819 -3.592 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.857 -10.238 -3.682 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.343 -10.448 -3.730 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.579 -11.559 -3.896 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.849 -11.409 -2.677 1.00 0.00 C ATOM 0 H ILE B 101 -2.617 -7.617 -3.549 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.995 -9.576 -5.716 1.00 0.00 H new ATOM 0 HB ILE B 101 -3.127 -9.856 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -1.064 -10.822 -4.715 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.844 -9.488 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.258 -12.276 -3.140 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.655 -11.403 -3.814 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.343 -11.946 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.232 -11.517 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -1.099 -11.025 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -1.323 -12.380 -2.820 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.453 -9.023 -5.823 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.890 -8.779 -5.876 1.00 0.00 C ATOM 1646 C ARG B 102 -7.675 -10.021 -5.470 1.00 0.00 C ATOM 1647 O ARG B 102 -8.851 -9.931 -5.119 1.00 0.00 O ATOM 1648 CB ARG B 102 -7.321 -8.288 -7.259 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.909 -9.184 -8.408 1.00 0.00 C ATOM 1650 CD ARG B 102 -7.507 -8.685 -9.711 1.00 0.00 C ATOM 1651 NE ARG B 102 -7.037 -7.342 -10.059 1.00 0.00 N ATOM 1652 CZ ARG B 102 -7.760 -6.439 -10.724 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -9.012 -6.703 -11.080 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -7.229 -5.264 -11.028 1.00 0.00 N ATOM 0 H ARG B 102 -5.018 -9.203 -6.728 1.00 0.00 H new ATOM 0 HA ARG B 102 -7.115 -7.990 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -8.406 -8.183 -7.270 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -6.903 -7.295 -7.423 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -5.822 -9.209 -8.486 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -7.239 -10.205 -8.217 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -7.252 -9.376 -10.514 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -8.594 -8.678 -9.630 1.00 0.00 H new ATOM 0 HE ARG B 102 -6.094 -7.079 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -9.430 -7.603 -10.845 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -9.556 -6.005 -11.588 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -6.270 -5.052 -10.754 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -7.779 -4.572 -11.536 1.00 0.00 H new ATOM 1668 N LYS B 103 -7.020 -11.173 -5.502 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.627 -12.413 -5.031 1.00 0.00 C ATOM 1670 C LYS B 103 -7.871 -12.336 -3.524 1.00 0.00 C ATOM 1671 O LYS B 103 -8.934 -12.700 -3.028 1.00 0.00 O ATOM 1672 CB LYS B 103 -6.716 -13.601 -5.351 1.00 0.00 C ATOM 1673 CG LYS B 103 -7.302 -14.949 -4.954 1.00 0.00 C ATOM 1674 CD LYS B 103 -6.291 -16.075 -5.126 1.00 0.00 C ATOM 1675 CE LYS B 103 -5.145 -15.955 -4.131 1.00 0.00 C ATOM 1676 NZ LYS B 103 -4.155 -17.050 -4.289 1.00 0.00 N ATOM 0 H LYS B 103 -6.067 -11.276 -5.850 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.581 -12.552 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -6.505 -13.608 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -5.763 -13.465 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -7.631 -14.911 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -8.184 -15.156 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -6.789 -17.036 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -5.895 -16.058 -6.142 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -4.648 -14.994 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -5.543 -15.969 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -3.268 -16.788 -3.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -4.531 -17.922 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -3.971 -17.208 -5.300 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.872 -11.836 -2.808 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.939 -11.716 -1.358 1.00 0.00 C ATOM 1692 C GLU B 104 -7.425 -10.321 -0.969 1.00 0.00 C ATOM 1693 O GLU B 104 -7.637 -10.016 0.206 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.554 -11.986 -0.754 1.00 0.00 C ATOM 1695 CG GLU B 104 -5.544 -12.114 0.761 1.00 0.00 C ATOM 1696 CD GLU B 104 -6.326 -13.316 1.248 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -7.541 -13.183 1.499 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -5.730 -14.407 1.370 1.00 0.00 O ATOM 0 H GLU B 104 -5.997 -11.504 -3.214 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.645 -12.450 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -5.155 -12.903 -1.187 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -4.881 -11.178 -1.043 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.514 -12.190 1.109 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -5.963 -11.209 1.201 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.597 -9.480 -1.990 1.00 0.00 N ATOM 1706 CA ARG B 105 -8.029 -8.095 -1.817 1.00 0.00 C ATOM 1707 C ARG B 105 -7.074 -7.342 -0.893 1.00 0.00 C ATOM 1708 O ARG B 105 -7.487 -6.464 -0.133 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.463 -8.040 -1.275 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.484 -8.688 -2.201 1.00 0.00 C ATOM 1711 CD ARG B 105 -11.879 -8.680 -1.595 1.00 0.00 C ATOM 1712 NE ARG B 105 -12.854 -9.335 -2.467 1.00 0.00 N ATOM 1713 CZ ARG B 105 -14.057 -9.750 -2.068 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -14.450 -9.563 -0.814 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -14.870 -10.355 -2.925 1.00 0.00 N ATOM 0 H ARG B 105 -7.440 -9.743 -2.963 1.00 0.00 H new ATOM 0 HA ARG B 105 -8.013 -7.608 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.496 -8.536 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.742 -6.999 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -10.498 -8.159 -3.154 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -10.185 -9.715 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -11.859 -9.185 -0.629 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -12.189 -7.651 -1.411 1.00 0.00 H new ATOM 0 HE ARG B 105 -12.597 -9.484 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -13.831 -9.099 -0.149 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -15.371 -9.883 -0.515 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -14.575 -10.503 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -15.790 -10.672 -2.619 1.00 0.00 H new ATOM 1729 N THR B 106 -5.788 -7.676 -0.981 1.00 0.00 N ATOM 1730 CA THR B 106 -4.796 -7.116 -0.084 1.00 0.00 C ATOM 1731 C THR B 106 -3.642 -6.495 -0.869 1.00 0.00 C ATOM 1732 O THR B 106 -3.183 -7.055 -1.867 1.00 0.00 O ATOM 1733 CB THR B 106 -4.258 -8.205 0.867 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.344 -8.809 1.583 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.263 -7.627 1.862 1.00 0.00 C ATOM 0 H THR B 106 -5.415 -8.332 -1.667 1.00 0.00 H new ATOM 0 HA THR B 106 -5.275 -6.334 0.505 1.00 0.00 H new ATOM 0 HB THR B 106 -3.748 -8.955 0.262 1.00 0.00 H new ATOM 0 HG1 THR B 106 -6.021 -9.121 0.947 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.902 -8.419 2.518 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.422 -7.191 1.324 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.751 -6.856 2.459 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.199 -5.326 -0.434 1.00 0.00 N ATOM 1744 CA LEU B 107 -2.069 -4.654 -1.055 1.00 0.00 C ATOM 1745 C LEU B 107 -0.839 -4.747 -0.156 1.00 0.00 C ATOM 1746 O LEU B 107 -0.885 -4.373 1.017 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.413 -3.188 -1.343 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.286 -2.353 -1.958 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -0.798 -2.975 -3.251 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -1.762 -0.937 -2.217 1.00 0.00 C ATOM 0 H LEU B 107 -3.608 -4.820 0.352 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.846 -5.148 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.270 -3.160 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.723 -2.716 -0.411 1.00 0.00 H new ATOM 0 HG LEU B 107 -0.458 -2.328 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU B 107 0.002 -2.364 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -0.423 -3.979 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.622 -3.030 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -0.951 -0.355 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -2.606 -0.957 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -2.071 -0.480 -1.277 1.00 0.00 H new ATOM 1762 N TYR B 108 0.249 -5.259 -0.714 1.00 0.00 N ATOM 1763 CA TYR B 108 1.485 -5.445 0.031 1.00 0.00 C ATOM 1764 C TYR B 108 2.522 -4.402 -0.370 1.00 0.00 C ATOM 1765 O TYR B 108 2.823 -4.236 -1.554 1.00 0.00 O ATOM 1766 CB TYR B 108 2.043 -6.850 -0.214 1.00 0.00 C ATOM 1767 CG TYR B 108 1.096 -7.965 0.177 1.00 0.00 C ATOM 1768 CD1 TYR B 108 -0.035 -8.235 -0.580 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.330 -8.737 1.306 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.905 -9.241 -0.226 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.462 -9.750 1.667 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.655 -9.998 0.898 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.520 -11.012 1.247 1.00 0.00 O ATOM 0 H TYR B 108 0.300 -5.555 -1.689 1.00 0.00 H new ATOM 0 HA TYR B 108 1.264 -5.325 1.092 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.292 -6.952 -1.270 1.00 0.00 H new ATOM 0 HB3 TYR B 108 2.972 -6.963 0.345 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.236 -7.646 -1.462 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.203 -8.543 1.911 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.781 -9.436 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR B 108 0.658 -10.344 2.547 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.199 -11.449 2.064 1.00 0.00 H new ATOM 1783 N ILE B 109 3.047 -3.696 0.620 1.00 0.00 N ATOM 1784 CA ILE B 109 4.086 -2.700 0.398 1.00 0.00 C ATOM 1785 C ILE B 109 5.369 -3.116 1.110 1.00 0.00 C ATOM 1786 O ILE B 109 5.359 -3.376 2.316 1.00 0.00 O ATOM 1787 CB ILE B 109 3.664 -1.316 0.936 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.288 -0.908 0.400 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.706 -0.261 0.591 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.231 -0.752 -1.102 1.00 0.00 C ATOM 0 H ILE B 109 2.767 -3.796 1.596 1.00 0.00 H new ATOM 0 HA ILE B 109 4.248 -2.633 -0.678 1.00 0.00 H new ATOM 0 HB ILE B 109 3.594 -1.390 2.021 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.555 -1.655 0.705 1.00 0.00 H new ATOM 0 HG13 ILE B 109 1.994 0.034 0.864 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.387 0.706 0.980 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.662 -0.534 1.037 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.816 -0.198 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.223 -0.462 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.937 0.017 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.491 -1.698 -1.576 1.00 0.00 H new ATOM 1802 N TYR B 110 6.461 -3.194 0.368 1.00 0.00 N ATOM 1803 CA TYR B 110 7.757 -3.503 0.950 1.00 0.00 C ATOM 1804 C TYR B 110 8.768 -2.438 0.548 1.00 0.00 C ATOM 1805 O TYR B 110 8.917 -2.133 -0.636 1.00 0.00 O ATOM 1806 CB TYR B 110 8.247 -4.881 0.493 1.00 0.00 C ATOM 1807 CG TYR B 110 7.309 -6.024 0.824 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.283 -6.377 -0.043 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.456 -6.756 1.997 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.430 -7.424 0.248 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.609 -7.807 2.292 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.598 -8.136 1.415 1.00 0.00 C ATOM 1813 OH TYR B 110 4.754 -9.182 1.707 1.00 0.00 O ATOM 0 H TYR B 110 6.476 -3.047 -0.641 1.00 0.00 H new ATOM 0 HA TYR B 110 7.653 -3.517 2.035 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.404 -4.857 -0.585 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.216 -5.078 0.952 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.150 -5.823 -0.961 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.245 -6.499 2.688 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.635 -7.683 -0.436 1.00 0.00 H new ATOM 0 HE2 TYR B 110 6.739 -8.368 3.206 1.00 0.00 H new ATOM 0 HH TYR B 110 4.999 -9.568 2.574 1.00 0.00 H new ATOM 1823 N ILE B 111 9.439 -1.856 1.530 1.00 0.00 N ATOM 1824 CA ILE B 111 10.447 -0.839 1.269 1.00 0.00 C ATOM 1825 C ILE B 111 11.701 -1.127 2.084 1.00 0.00 C ATOM 1826 O ILE B 111 12.653 -1.713 1.529 1.00 0.00 O ATOM 1827 CB ILE B 111 9.933 0.585 1.593 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.663 0.889 0.789 1.00 0.00 C ATOM 1829 CG2 ILE B 111 11.012 1.623 1.297 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.042 2.229 1.108 1.00 0.00 C ATOM 1831 OXT ILE B 111 11.720 -0.803 3.289 1.00 0.00 O ATOM 0 H ILE B 111 9.303 -2.071 2.518 1.00 0.00 H new ATOM 0 HA ILE B 111 10.679 -0.876 0.205 1.00 0.00 H new ATOM 0 HB ILE B 111 9.692 0.632 2.655 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.901 0.854 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.929 0.105 0.978 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.633 2.618 1.530 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.892 1.417 1.907 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.282 1.576 0.242 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.149 2.370 0.499 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.771 2.262 2.163 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.758 3.022 0.892 1.00 0.00 H new