USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 626 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 42 SER OG : rot -171:sc= -2.41! USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -6.98! C(o=-14!,f=-9.4!) USER MOD Set 2.1: A 6 THR OG1 : rot 112:sc= 0.936 USER MOD Set 2.2: A 15 ASN :FLIP amide:sc= -8.52! C(o=-10!,f=-9.2!) USER MOD Set 2.3: A 17 HIS :FLIP no HD1:sc= -1.61 F(o=-10,f=-9.2) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0658 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -34:sc= 0.527! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -16.6! C(o=-30!,f=-17!) USER MOD Single : A 16 SER OG : rot 120:sc= -6.06! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -6.43! C(o=-6.4!,f=-11!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 66:sc= 1.15 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 170:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -20.3! C(o=-20!,f=-22!) USER MOD Single : A 67 GLN : amide:sc= -2.15! C(o=-2.1!,f=-3.2!) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0.0009 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 79 THR OG1 : rot -8:sc= 0.916 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.079 21.489 1.140 1.00 0.00 N ATOM 2 CA GLY A 1 3.999 20.188 0.423 1.00 0.00 C ATOM 3 C GLY A 1 4.160 19.002 1.353 1.00 0.00 C ATOM 4 O GLY A 1 4.544 19.162 2.511 1.00 0.00 O ATOM 0 H1 GLY A 1 3.157 21.968 1.094 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.333 21.322 2.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.803 22.087 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.039 20.117 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.772 20.152 -0.344 1.00 0.00 H new ATOM 10 N SER A 2 3.865 17.808 0.845 1.00 0.00 N ATOM 11 CA SER A 2 3.980 16.592 1.640 1.00 0.00 C ATOM 12 C SER A 2 4.689 15.491 0.852 1.00 0.00 C ATOM 13 O SER A 2 4.517 15.376 -0.360 1.00 0.00 O ATOM 14 CB SER A 2 2.594 16.112 2.078 1.00 0.00 C ATOM 15 OG SER A 2 1.918 15.467 1.014 1.00 0.00 O ATOM 0 H SER A 2 3.545 17.658 -0.112 1.00 0.00 H new ATOM 0 HA SER A 2 4.574 16.820 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.692 15.426 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.005 16.961 2.426 1.00 0.00 H new ATOM 0 HG SER A 2 1.036 15.168 1.320 1.00 0.00 H new ATOM 21 N PRO A 3 5.499 14.663 1.537 1.00 0.00 N ATOM 22 CA PRO A 3 6.236 13.570 0.898 1.00 0.00 C ATOM 23 C PRO A 3 5.342 12.367 0.594 1.00 0.00 C ATOM 24 O PRO A 3 5.599 11.259 1.061 1.00 0.00 O ATOM 25 CB PRO A 3 7.283 13.203 1.949 1.00 0.00 C ATOM 26 CG PRO A 3 6.641 13.538 3.250 1.00 0.00 C ATOM 27 CD PRO A 3 5.762 14.732 2.989 1.00 0.00 C ATOM 0 HA PRO A 3 6.655 13.862 -0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.544 12.146 1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.205 13.767 1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.056 12.698 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.391 13.765 4.007 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.838 14.683 3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.259 15.663 3.262 1.00 0.00 H new ATOM 35 N GLY A 4 4.288 12.591 -0.187 1.00 0.00 N ATOM 36 CA GLY A 4 3.375 11.514 -0.532 1.00 0.00 C ATOM 37 C GLY A 4 4.089 10.295 -1.118 1.00 0.00 C ATOM 38 O GLY A 4 5.316 10.300 -1.227 1.00 0.00 O ATOM 0 H GLY A 4 4.050 13.499 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.823 11.213 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.643 11.881 -1.251 1.00 0.00 H new ATOM 42 N PHE A 5 3.342 9.237 -1.492 1.00 0.00 N ATOM 43 CA PHE A 5 3.975 8.032 -2.052 1.00 0.00 C ATOM 44 C PHE A 5 3.054 7.195 -2.981 1.00 0.00 C ATOM 45 O PHE A 5 3.503 6.192 -3.537 1.00 0.00 O ATOM 46 CB PHE A 5 4.518 7.137 -0.929 1.00 0.00 C ATOM 47 CG PHE A 5 4.737 7.828 0.391 1.00 0.00 C ATOM 48 CD1 PHE A 5 3.678 8.079 1.248 1.00 0.00 C ATOM 49 CD2 PHE A 5 6.011 8.214 0.777 1.00 0.00 C ATOM 50 CE1 PHE A 5 3.884 8.706 2.463 1.00 0.00 C ATOM 51 CE2 PHE A 5 6.223 8.839 1.992 1.00 0.00 C ATOM 52 CZ PHE A 5 5.158 9.085 2.836 1.00 0.00 C ATOM 0 H PHE A 5 2.326 9.193 -1.418 1.00 0.00 H new ATOM 0 HA PHE A 5 4.789 8.401 -2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.824 6.310 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.463 6.704 -1.256 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.679 7.781 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.848 8.024 0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.049 8.899 3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.221 9.135 2.281 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.321 9.573 3.786 1.00 0.00 H new ATOM 62 N THR A 6 1.793 7.596 -3.162 1.00 0.00 N ATOM 63 CA THR A 6 0.853 6.862 -4.042 1.00 0.00 C ATOM 64 C THR A 6 0.624 5.405 -3.584 1.00 0.00 C ATOM 65 O THR A 6 1.559 4.610 -3.562 1.00 0.00 O ATOM 66 CB THR A 6 1.370 6.869 -5.481 1.00 0.00 C ATOM 67 OG1 THR A 6 2.295 7.923 -5.680 1.00 0.00 O ATOM 68 CG2 THR A 6 0.272 7.022 -6.512 1.00 0.00 C ATOM 0 H THR A 6 1.391 8.421 -2.717 1.00 0.00 H new ATOM 0 HA THR A 6 -0.105 7.378 -3.983 1.00 0.00 H new ATOM 0 HB THR A 6 1.844 5.897 -5.619 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.190 7.550 -5.824 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.708 7.019 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.431 6.194 -6.420 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.253 7.963 -6.348 1.00 0.00 H new ATOM 76 N CYS A 7 -0.635 5.059 -3.226 1.00 0.00 N ATOM 77 CA CYS A 7 -0.971 3.695 -2.789 1.00 0.00 C ATOM 78 C CYS A 7 -1.416 2.883 -3.999 1.00 0.00 C ATOM 79 O CYS A 7 -2.128 1.890 -3.864 1.00 0.00 O ATOM 80 CB CYS A 7 -2.084 3.650 -1.687 1.00 0.00 C ATOM 81 SG CYS A 7 -2.724 1.971 -1.432 1.00 0.00 S ATOM 0 H CYS A 7 -1.425 5.704 -3.233 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.073 3.271 -2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.680 4.030 -0.749 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.903 4.310 -1.972 1.00 0.00 H new ATOM 86 N CYS A 8 -1.022 3.311 -5.203 1.00 0.00 N ATOM 87 CA CYS A 8 -1.443 2.600 -6.401 1.00 0.00 C ATOM 88 C CYS A 8 -2.952 2.389 -6.287 1.00 0.00 C ATOM 89 O CYS A 8 -3.510 1.380 -6.707 1.00 0.00 O ATOM 90 CB CYS A 8 -0.675 1.275 -6.507 1.00 0.00 C ATOM 91 SG CYS A 8 -1.346 0.080 -7.691 1.00 0.00 S ATOM 0 H CYS A 8 -0.428 4.124 -5.366 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.226 3.162 -7.309 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.357 1.494 -6.783 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.650 0.810 -5.522 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.643 0.171 -7.712 1.00 0.00 H new ATOM 97 N VAL A 9 -3.575 3.374 -5.647 1.00 0.00 N ATOM 98 CA VAL A 9 -5.001 3.380 -5.369 1.00 0.00 C ATOM 99 C VAL A 9 -5.800 3.825 -6.587 1.00 0.00 C ATOM 100 O VAL A 9 -5.925 5.020 -6.859 1.00 0.00 O ATOM 101 CB VAL A 9 -5.264 4.336 -4.166 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.450 5.590 -4.325 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.733 4.708 -3.967 1.00 0.00 C ATOM 0 H VAL A 9 -3.091 4.203 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.324 2.369 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.965 3.783 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.637 6.255 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.391 5.335 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.731 6.091 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.827 5.375 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.105 5.210 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.316 3.805 -3.789 1.00 0.00 H new ATOM 113 N PRO A 10 -6.391 2.863 -7.315 1.00 0.00 N ATOM 114 CA PRO A 10 -7.224 3.165 -8.477 1.00 0.00 C ATOM 115 C PRO A 10 -8.546 3.748 -8.014 1.00 0.00 C ATOM 116 O PRO A 10 -9.306 4.328 -8.789 1.00 0.00 O ATOM 117 CB PRO A 10 -7.439 1.796 -9.122 1.00 0.00 C ATOM 118 CG PRO A 10 -7.356 0.838 -7.985 1.00 0.00 C ATOM 119 CD PRO A 10 -6.334 1.413 -7.041 1.00 0.00 C ATOM 0 HA PRO A 10 -6.779 3.888 -9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.406 1.739 -9.621 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.679 1.587 -9.875 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.323 0.728 -7.495 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.058 -0.153 -8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.577 1.191 -6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.340 1.007 -7.230 1.00 0.00 H new ATOM 127 N GLY A 11 -8.795 3.574 -6.720 1.00 0.00 N ATOM 128 CA GLY A 11 -10.000 4.064 -6.108 1.00 0.00 C ATOM 129 C GLY A 11 -10.091 3.694 -4.635 1.00 0.00 C ATOM 130 O GLY A 11 -11.064 4.059 -3.972 1.00 0.00 O ATOM 0 H GLY A 11 -8.165 3.091 -6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.042 5.148 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.864 3.659 -6.636 1.00 0.00 H new ATOM 134 N CYS A 12 -9.094 2.963 -4.103 1.00 0.00 N ATOM 135 CA CYS A 12 -9.151 2.578 -2.702 1.00 0.00 C ATOM 136 C CYS A 12 -9.138 3.801 -1.782 1.00 0.00 C ATOM 137 O CYS A 12 -8.276 4.666 -1.869 1.00 0.00 O ATOM 138 CB CYS A 12 -8.077 1.536 -2.279 1.00 0.00 C ATOM 139 SG CYS A 12 -6.349 1.834 -2.774 1.00 0.00 S ATOM 0 H CYS A 12 -8.270 2.641 -4.611 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.107 2.068 -2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.103 1.453 -1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.376 0.568 -2.680 1.00 0.00 H new ATOM 144 N TYR A 13 -10.151 3.838 -0.918 1.00 0.00 N ATOM 145 CA TYR A 13 -10.396 4.902 0.057 1.00 0.00 C ATOM 146 C TYR A 13 -9.408 6.075 0.051 1.00 0.00 C ATOM 147 O TYR A 13 -9.814 7.236 -0.023 1.00 0.00 O ATOM 148 CB TYR A 13 -10.468 4.303 1.467 1.00 0.00 C ATOM 149 CG TYR A 13 -11.851 4.360 2.086 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.998 4.247 1.307 1.00 0.00 C ATOM 151 CD2 TYR A 13 -12.007 4.529 3.456 1.00 0.00 C ATOM 152 CE1 TYR A 13 -14.255 4.304 1.874 1.00 0.00 C ATOM 153 CE2 TYR A 13 -13.263 4.585 4.031 1.00 0.00 C ATOM 154 CZ TYR A 13 -14.383 4.472 3.236 1.00 0.00 C ATOM 155 OH TYR A 13 -15.635 4.527 3.805 1.00 0.00 O ATOM 0 H TYR A 13 -10.852 3.098 -0.876 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.345 5.340 -0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.140 3.264 1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.769 4.834 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.903 4.112 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.132 4.618 4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.134 4.217 1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.366 4.717 5.098 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.549 4.648 4.774 1.00 0.00 H new ATOM 165 N ASN A 14 -8.140 5.773 0.228 1.00 0.00 N ATOM 166 CA ASN A 14 -7.106 6.791 0.354 1.00 0.00 C ATOM 167 C ASN A 14 -5.933 6.650 -0.636 1.00 0.00 C ATOM 168 O ASN A 14 -5.676 5.559 -1.130 1.00 0.00 O ATOM 169 CB ASN A 14 -6.539 6.870 1.758 1.00 0.00 C ATOM 170 CG ASN A 14 -6.581 5.600 2.601 1.00 0.00 C ATOM 171 OD1 ASN A 14 -7.564 4.747 2.394 1.00 0.00 O flip ATOM 172 ND2 ASN A 14 -5.734 5.414 3.473 1.00 0.00 N flip ATOM 0 H ASN A 14 -7.791 4.816 0.289 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.636 7.711 0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.500 7.192 1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.078 7.650 2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.985 6.093 3.609 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.781 4.581 4.060 1.00 0.00 H new ATOM 179 N ASN A 15 -5.193 7.750 -0.926 1.00 0.00 N ATOM 180 CA ASN A 15 -4.058 7.638 -1.823 1.00 0.00 C ATOM 181 C ASN A 15 -2.759 7.797 -0.979 1.00 0.00 C ATOM 182 O ASN A 15 -2.810 8.425 0.079 1.00 0.00 O ATOM 183 CB ASN A 15 -4.136 8.729 -2.901 1.00 0.00 C ATOM 184 CG ASN A 15 -3.579 8.292 -4.243 1.00 0.00 C ATOM 185 OD1 ASN A 15 -2.276 8.053 -4.296 1.00 0.00 O flip ATOM 186 ND2 ASN A 15 -4.313 8.174 -5.223 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.367 8.685 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.059 6.669 -2.322 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.176 9.030 -3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.590 9.608 -2.558 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.311 8.368 -5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.924 7.882 -6.120 1.00 0.00 H new ATOM 193 N SER A 16 -1.597 7.214 -1.388 1.00 0.00 N ATOM 194 CA SER A 16 -0.385 7.310 -0.593 1.00 0.00 C ATOM 195 C SER A 16 0.276 8.700 -0.709 1.00 0.00 C ATOM 196 O SER A 16 1.178 9.015 0.063 1.00 0.00 O ATOM 197 CB SER A 16 0.602 6.194 -1.019 1.00 0.00 C ATOM 198 OG SER A 16 1.917 6.500 -0.616 1.00 0.00 O ATOM 0 H SER A 16 -1.496 6.685 -2.254 1.00 0.00 H new ATOM 0 HA SER A 16 -0.655 7.177 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.295 5.245 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.570 6.069 -2.101 1.00 0.00 H new ATOM 0 HG SER A 16 2.246 5.800 -0.014 1.00 0.00 H new ATOM 204 N HIS A 17 -0.159 9.535 -1.673 1.00 0.00 N ATOM 205 CA HIS A 17 0.427 10.869 -1.851 1.00 0.00 C ATOM 206 C HIS A 17 -0.639 11.947 -2.051 1.00 0.00 C ATOM 207 O HIS A 17 -0.322 13.135 -2.077 1.00 0.00 O ATOM 208 CB HIS A 17 1.385 10.890 -3.056 1.00 0.00 C ATOM 209 CG HIS A 17 0.701 10.739 -4.382 1.00 0.00 C ATOM 210 ND1 HIS A 17 -0.570 10.392 -4.694 1.00 0.00 N flip ATOM 211 CD2 HIS A 17 1.341 10.953 -5.586 1.00 0.00 C flip ATOM 212 CE1 HIS A 17 -0.671 10.404 -6.064 1.00 0.00 C flip ATOM 213 NE2 HIS A 17 0.494 10.748 -6.578 1.00 0.00 N flip ATOM 0 H HIS A 17 -0.905 9.309 -2.331 1.00 0.00 H new ATOM 0 HA HIS A 17 0.975 11.089 -0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.940 11.828 -3.050 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.114 10.088 -2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.375 11.243 -5.699 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.561 10.170 -6.629 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.705 10.840 -7.572 1.00 0.00 H new ATOM 222 N ARG A 18 -1.892 11.538 -2.216 1.00 0.00 N ATOM 223 CA ARG A 18 -2.973 12.488 -2.442 1.00 0.00 C ATOM 224 C ARG A 18 -3.839 12.672 -1.200 1.00 0.00 C ATOM 225 O ARG A 18 -5.017 13.018 -1.303 1.00 0.00 O ATOM 226 CB ARG A 18 -3.837 12.031 -3.620 1.00 0.00 C ATOM 227 CG ARG A 18 -4.811 13.088 -4.114 1.00 0.00 C ATOM 228 CD ARG A 18 -6.240 12.764 -3.707 1.00 0.00 C ATOM 229 NE ARG A 18 -7.101 12.537 -4.866 1.00 0.00 N ATOM 230 CZ ARG A 18 -7.221 11.364 -5.485 1.00 0.00 C ATOM 231 NH1 ARG A 18 -6.530 10.309 -5.072 1.00 0.00 N ATOM 232 NH2 ARG A 18 -8.036 11.248 -6.525 1.00 0.00 N ATOM 0 H ARG A 18 -2.183 10.560 -2.198 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.520 13.452 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.186 11.737 -4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.397 11.144 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.529 14.061 -3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.749 13.162 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.244 11.877 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.642 13.584 -3.112 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.643 13.324 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.900 10.392 -4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.629 9.415 -5.553 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.568 12.056 -6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.130 10.351 -7.001 1.00 0.00 H new ATOM 246 N ASP A 19 -3.260 12.456 -0.023 1.00 0.00 N ATOM 247 CA ASP A 19 -4.013 12.624 1.219 1.00 0.00 C ATOM 248 C ASP A 19 -3.139 12.515 2.485 1.00 0.00 C ATOM 249 O ASP A 19 -3.025 13.482 3.237 1.00 0.00 O ATOM 250 CB ASP A 19 -5.211 11.652 1.248 1.00 0.00 C ATOM 251 CG ASP A 19 -5.697 11.348 2.643 1.00 0.00 C ATOM 252 OD1 ASP A 19 -6.349 12.226 3.245 1.00 0.00 O ATOM 253 OD2 ASP A 19 -5.422 10.235 3.140 1.00 0.00 O ATOM 0 H ASP A 19 -2.289 12.169 0.099 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.395 13.645 1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.031 12.079 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.927 10.721 0.758 1.00 0.00 H new ATOM 258 N LYS A 20 -2.539 11.355 2.721 1.00 0.00 N ATOM 259 CA LYS A 20 -1.691 11.137 3.903 1.00 0.00 C ATOM 260 C LYS A 20 -2.483 11.282 5.217 1.00 0.00 C ATOM 261 O LYS A 20 -1.901 11.409 6.295 1.00 0.00 O ATOM 262 CB LYS A 20 -0.493 12.103 3.873 1.00 0.00 C ATOM 263 CG LYS A 20 -0.692 13.409 4.641 1.00 0.00 C ATOM 264 CD LYS A 20 0.228 13.495 5.849 1.00 0.00 C ATOM 265 CE LYS A 20 -0.026 14.760 6.654 1.00 0.00 C ATOM 266 NZ LYS A 20 -0.975 14.522 7.778 1.00 0.00 N ATOM 0 H LYS A 20 -2.620 10.542 2.110 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.323 10.112 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.378 11.589 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.265 12.342 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.503 14.254 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.729 13.485 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.079 12.622 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.267 13.475 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.918 15.135 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.426 15.533 5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.122 15.408 8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.885 14.189 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.582 13.803 8.418 1.00 0.00 H new ATOM 280 N ALA A 21 -3.809 11.290 5.104 1.00 0.00 N ATOM 281 CA ALA A 21 -4.703 11.449 6.271 1.00 0.00 C ATOM 282 C ALA A 21 -5.517 10.184 6.680 1.00 0.00 C ATOM 283 O ALA A 21 -5.599 9.885 7.871 1.00 0.00 O ATOM 284 CB ALA A 21 -5.650 12.617 6.029 1.00 0.00 C ATOM 0 H ALA A 21 -4.300 11.188 4.216 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.039 11.636 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.309 12.735 6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.072 13.530 5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.247 12.423 5.138 1.00 0.00 H new ATOM 290 N LEU A 22 -6.149 9.468 5.725 1.00 0.00 N ATOM 291 CA LEU A 22 -6.969 8.288 6.029 1.00 0.00 C ATOM 292 C LEU A 22 -6.124 7.248 6.847 1.00 0.00 C ATOM 293 O LEU A 22 -5.223 7.671 7.570 1.00 0.00 O ATOM 294 CB LEU A 22 -7.582 7.771 4.684 1.00 0.00 C ATOM 295 CG LEU A 22 -7.999 8.852 3.666 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.271 8.448 2.929 1.00 0.00 C ATOM 297 CD2 LEU A 22 -8.205 10.182 4.330 1.00 0.00 C ATOM 0 H LEU A 22 -6.103 9.694 4.731 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.813 8.514 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.856 7.113 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.457 7.164 4.917 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.185 8.944 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.543 9.228 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.101 7.513 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.080 8.314 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.498 10.920 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.989 10.096 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.278 10.498 4.808 1.00 0.00 H new ATOM 309 N HIS A 23 -6.386 5.919 6.805 1.00 0.00 N ATOM 310 CA HIS A 23 -5.614 4.991 7.612 1.00 0.00 C ATOM 311 C HIS A 23 -4.493 4.358 6.770 1.00 0.00 C ATOM 312 O HIS A 23 -4.707 4.079 5.590 1.00 0.00 O ATOM 313 CB HIS A 23 -6.551 3.886 8.105 1.00 0.00 C ATOM 314 CG HIS A 23 -6.376 3.545 9.551 1.00 0.00 C ATOM 315 ND1 HIS A 23 -7.160 4.079 10.552 1.00 0.00 N ATOM 316 CD2 HIS A 23 -5.502 2.712 10.167 1.00 0.00 C ATOM 317 CE1 HIS A 23 -6.777 3.593 11.719 1.00 0.00 C ATOM 318 NE2 HIS A 23 -5.773 2.761 11.512 1.00 0.00 N ATOM 0 H HIS A 23 -7.111 5.490 6.230 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.167 5.523 8.452 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.582 4.196 7.937 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.386 2.989 7.508 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.735 2.120 9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.211 3.835 12.678 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.278 2.239 12.235 1.00 0.00 H new ATOM 327 N PHE A 24 -3.295 4.131 7.347 1.00 0.00 N ATOM 328 CA PHE A 24 -2.213 3.546 6.577 1.00 0.00 C ATOM 329 C PHE A 24 -1.578 2.319 7.288 1.00 0.00 C ATOM 330 O PHE A 24 -1.105 2.455 8.416 1.00 0.00 O ATOM 331 CB PHE A 24 -1.116 4.584 6.318 1.00 0.00 C ATOM 332 CG PHE A 24 -1.535 5.760 5.461 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.078 6.901 6.036 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.351 5.742 4.082 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.433 7.989 5.254 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.696 6.823 3.302 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.241 7.948 3.884 1.00 0.00 C ATOM 0 H PHE A 24 -3.069 4.342 8.319 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.649 3.212 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.760 4.961 7.277 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.273 4.087 5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.226 6.941 7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.930 4.864 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.859 8.868 5.714 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.540 6.790 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.517 8.794 3.273 1.00 0.00 H new ATOM 347 N TYR A 25 -1.520 1.134 6.637 1.00 0.00 N ATOM 348 CA TYR A 25 -0.889 -0.039 7.244 1.00 0.00 C ATOM 349 C TYR A 25 0.627 0.028 6.975 1.00 0.00 C ATOM 350 O TYR A 25 1.043 0.722 6.048 1.00 0.00 O ATOM 351 CB TYR A 25 -1.468 -1.349 6.687 1.00 0.00 C ATOM 352 CG TYR A 25 -2.937 -1.550 6.991 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.892 -0.632 6.572 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.367 -2.665 7.700 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.232 -0.820 6.850 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.706 -2.861 7.982 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.634 -1.935 7.555 1.00 0.00 C ATOM 358 OH TYR A 25 -6.968 -2.125 7.832 1.00 0.00 O ATOM 0 H TYR A 25 -1.900 0.975 5.704 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.087 -0.030 8.316 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.325 -1.367 5.607 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.904 -2.187 7.097 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.582 0.243 6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.642 -3.391 8.037 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.962 -0.097 6.517 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.023 -3.734 8.533 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.082 -2.959 8.335 1.00 0.00 H new ATOM 368 N THR A 26 1.466 -0.638 7.786 1.00 0.00 N ATOM 369 CA THR A 26 2.914 -0.555 7.587 1.00 0.00 C ATOM 370 C THR A 26 3.464 -1.826 6.925 1.00 0.00 C ATOM 371 O THR A 26 2.716 -2.766 6.657 1.00 0.00 O ATOM 372 CB THR A 26 3.640 -0.273 8.913 1.00 0.00 C ATOM 373 OG1 THR A 26 4.351 -1.416 9.358 1.00 0.00 O ATOM 374 CG2 THR A 26 2.715 0.151 10.037 1.00 0.00 C ATOM 0 H THR A 26 1.172 -1.225 8.566 1.00 0.00 H new ATOM 0 HA THR A 26 3.103 0.280 6.912 1.00 0.00 H new ATOM 0 HB THR A 26 4.315 0.553 8.689 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.805 -1.211 10.202 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.299 0.332 10.940 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.192 1.065 9.753 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.988 -0.639 10.227 1.00 0.00 H new ATOM 382 N PHE A 27 4.753 -1.798 6.566 1.00 0.00 N ATOM 383 CA PHE A 27 5.372 -2.891 5.822 1.00 0.00 C ATOM 384 C PHE A 27 6.023 -4.025 6.656 1.00 0.00 C ATOM 385 O PHE A 27 6.759 -3.747 7.603 1.00 0.00 O ATOM 386 CB PHE A 27 6.441 -2.283 4.934 1.00 0.00 C ATOM 387 CG PHE A 27 6.180 -2.390 3.465 1.00 0.00 C ATOM 388 CD1 PHE A 27 4.894 -2.358 2.954 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.235 -2.533 2.592 1.00 0.00 C ATOM 390 CE1 PHE A 27 4.679 -2.464 1.596 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.026 -2.646 1.240 1.00 0.00 C ATOM 392 CZ PHE A 27 5.742 -2.610 0.739 1.00 0.00 C ATOM 0 H PHE A 27 5.385 -1.027 6.781 1.00 0.00 H new ATOM 0 HA PHE A 27 4.558 -3.377 5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.551 -1.230 5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.393 -2.766 5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.053 -2.249 3.623 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.244 -2.557 2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.673 -2.432 1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.865 -2.763 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.573 -2.696 -0.324 1.00 0.00 H new ATOM 402 N PRO A 28 5.781 -5.332 6.299 1.00 0.00 N ATOM 403 CA PRO A 28 6.372 -6.491 7.009 1.00 0.00 C ATOM 404 C PRO A 28 7.869 -6.287 7.325 1.00 0.00 C ATOM 405 O PRO A 28 8.465 -5.299 6.897 1.00 0.00 O ATOM 406 CB PRO A 28 6.220 -7.611 5.960 1.00 0.00 C ATOM 407 CG PRO A 28 4.925 -7.296 5.321 1.00 0.00 C ATOM 408 CD PRO A 28 4.870 -5.799 5.216 1.00 0.00 C ATOM 0 HA PRO A 28 5.896 -6.680 7.971 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.038 -7.603 5.240 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.212 -8.598 6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.852 -7.759 4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.094 -7.677 5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.203 -5.454 4.237 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.856 -5.425 5.358 1.00 0.00 H new ATOM 416 N LYS A 29 8.473 -7.219 8.078 1.00 0.00 N ATOM 417 CA LYS A 29 9.889 -7.114 8.445 1.00 0.00 C ATOM 418 C LYS A 29 10.797 -7.722 7.381 1.00 0.00 C ATOM 419 O LYS A 29 11.974 -7.376 7.279 1.00 0.00 O ATOM 420 CB LYS A 29 10.161 -7.814 9.779 1.00 0.00 C ATOM 421 CG LYS A 29 9.281 -9.024 10.053 1.00 0.00 C ATOM 422 CD LYS A 29 10.035 -10.087 10.839 1.00 0.00 C ATOM 423 CE LYS A 29 9.111 -10.858 11.767 1.00 0.00 C ATOM 424 NZ LYS A 29 9.844 -11.897 12.542 1.00 0.00 N ATOM 0 H LYS A 29 8.004 -8.049 8.442 1.00 0.00 H new ATOM 0 HA LYS A 29 10.110 -6.050 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.205 -8.128 9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.026 -7.094 10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.397 -8.715 10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.932 -9.444 9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.516 -10.778 10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.827 -9.616 11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.627 -10.165 12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.321 -11.330 11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.179 -12.401 13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.285 -12.573 11.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.581 -11.444 13.119 1.00 0.00 H new ATOM 438 N ASP A 30 10.244 -8.635 6.608 1.00 0.00 N ATOM 439 CA ASP A 30 10.995 -9.320 5.554 1.00 0.00 C ATOM 440 C ASP A 30 11.067 -8.441 4.299 1.00 0.00 C ATOM 441 O ASP A 30 10.042 -8.145 3.685 1.00 0.00 O ATOM 442 CB ASP A 30 10.312 -10.663 5.210 1.00 0.00 C ATOM 443 CG ASP A 30 9.151 -11.007 6.130 1.00 0.00 C ATOM 444 OD1 ASP A 30 8.086 -10.369 6.006 1.00 0.00 O ATOM 445 OD2 ASP A 30 9.312 -11.915 6.974 1.00 0.00 O ATOM 0 H ASP A 30 9.270 -8.927 6.685 1.00 0.00 H new ATOM 0 HA ASP A 30 12.007 -9.512 5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.952 -10.625 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.053 -11.461 5.259 1.00 0.00 H new ATOM 450 N ALA A 31 12.283 -8.003 3.933 1.00 0.00 N ATOM 451 CA ALA A 31 12.472 -7.143 2.774 1.00 0.00 C ATOM 452 C ALA A 31 11.627 -7.581 1.537 1.00 0.00 C ATOM 453 O ALA A 31 10.709 -6.877 1.147 1.00 0.00 O ATOM 454 CB ALA A 31 13.971 -7.020 2.467 1.00 0.00 C ATOM 0 H ALA A 31 13.144 -8.235 4.429 1.00 0.00 H new ATOM 0 HA ALA A 31 12.090 -6.152 3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.113 -6.376 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.484 -6.589 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.382 -8.008 2.257 1.00 0.00 H new ATOM 460 N GLU A 32 11.899 -8.730 0.912 1.00 0.00 N ATOM 461 CA GLU A 32 11.117 -9.140 -0.276 1.00 0.00 C ATOM 462 C GLU A 32 9.629 -9.060 -0.073 1.00 0.00 C ATOM 463 O GLU A 32 8.998 -8.261 -0.767 1.00 0.00 O ATOM 464 CB GLU A 32 11.556 -10.523 -0.780 1.00 0.00 C ATOM 465 CG GLU A 32 10.701 -11.077 -1.911 1.00 0.00 C ATOM 466 CD GLU A 32 9.557 -11.939 -1.415 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.463 -12.153 -0.188 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.754 -12.401 -2.254 1.00 0.00 O ATOM 0 H GLU A 32 12.632 -9.382 1.192 1.00 0.00 H new ATOM 0 HA GLU A 32 11.341 -8.411 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.590 -10.462 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.534 -11.225 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.299 -10.249 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.329 -11.665 -2.581 1.00 0.00 H new ATOM 475 N LEU A 33 9.024 -9.820 0.845 1.00 0.00 N ATOM 476 CA LEU A 33 7.596 -9.683 1.005 1.00 0.00 C ATOM 477 C LEU A 33 7.220 -8.210 0.854 1.00 0.00 C ATOM 478 O LEU A 33 6.234 -7.843 0.217 1.00 0.00 O ATOM 479 CB LEU A 33 7.152 -10.202 2.382 1.00 0.00 C ATOM 480 CG LEU A 33 5.677 -10.587 2.505 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.956 -10.479 1.170 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.539 -11.989 3.039 1.00 0.00 C ATOM 0 H LEU A 33 9.481 -10.499 1.454 1.00 0.00 H new ATOM 0 HA LEU A 33 7.091 -10.274 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.757 -11.073 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.371 -9.436 3.126 1.00 0.00 H new ATOM 0 HG LEU A 33 5.217 -9.886 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.911 -10.760 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.014 -9.453 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.426 -11.146 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.483 -12.245 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.031 -12.687 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.004 -12.051 4.023 1.00 0.00 H new ATOM 494 N ARG A 34 8.087 -7.379 1.396 1.00 0.00 N ATOM 495 CA ARG A 34 7.923 -5.926 1.348 1.00 0.00 C ATOM 496 C ARG A 34 7.807 -5.448 -0.068 1.00 0.00 C ATOM 497 O ARG A 34 6.778 -4.881 -0.458 1.00 0.00 O ATOM 498 CB ARG A 34 9.054 -5.197 2.137 1.00 0.00 C ATOM 499 CG ARG A 34 10.242 -4.662 1.319 1.00 0.00 C ATOM 500 CD ARG A 34 10.288 -3.147 1.271 1.00 0.00 C ATOM 501 NE ARG A 34 11.382 -2.607 2.075 1.00 0.00 N ATOM 502 CZ ARG A 34 12.662 -2.652 1.718 1.00 0.00 C ATOM 503 NH1 ARG A 34 13.020 -3.212 0.570 1.00 0.00 N ATOM 504 NH2 ARG A 34 13.590 -2.134 2.513 1.00 0.00 N ATOM 0 H ARG A 34 8.929 -7.685 1.884 1.00 0.00 H new ATOM 0 HA ARG A 34 6.988 -5.671 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.608 -4.360 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.442 -5.886 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.171 -5.036 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.182 -5.051 0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.402 -2.820 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.341 -2.744 1.630 1.00 0.00 H new ATOM 0 HE ARG A 34 11.149 -2.168 2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.311 -3.612 -0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.004 -3.243 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.321 -1.702 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.572 -2.168 2.240 1.00 0.00 H new ATOM 518 N ARG A 35 8.826 -5.713 -0.854 1.00 0.00 N ATOM 519 CA ARG A 35 8.791 -5.306 -2.228 1.00 0.00 C ATOM 520 C ARG A 35 7.546 -5.856 -2.872 1.00 0.00 C ATOM 521 O ARG A 35 6.925 -5.182 -3.692 1.00 0.00 O ATOM 522 CB ARG A 35 10.083 -5.692 -2.986 1.00 0.00 C ATOM 523 CG ARG A 35 10.211 -7.150 -3.424 1.00 0.00 C ATOM 524 CD ARG A 35 9.230 -7.509 -4.532 1.00 0.00 C ATOM 525 NE ARG A 35 9.879 -8.227 -5.626 1.00 0.00 N ATOM 526 CZ ARG A 35 10.807 -7.692 -6.418 1.00 0.00 C ATOM 527 NH1 ARG A 35 11.200 -6.439 -6.239 1.00 0.00 N ATOM 528 NH2 ARG A 35 11.343 -8.417 -7.391 1.00 0.00 N ATOM 0 H ARG A 35 9.674 -6.201 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 35 8.751 -4.218 -2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.159 -5.062 -3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.935 -5.451 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.228 -7.336 -3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.041 -7.801 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.428 -8.122 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.770 -6.599 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 35 9.605 -9.195 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.791 -5.878 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.911 -6.035 -6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.044 -9.382 -7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.054 -8.009 -7.999 1.00 0.00 H new ATOM 542 N LEU A 36 7.104 -7.040 -2.445 1.00 0.00 N ATOM 543 CA LEU A 36 5.873 -7.570 -3.035 1.00 0.00 C ATOM 544 C LEU A 36 4.740 -6.593 -2.845 1.00 0.00 C ATOM 545 O LEU A 36 4.070 -6.222 -3.815 1.00 0.00 O ATOM 546 CB LEU A 36 5.517 -8.965 -2.498 1.00 0.00 C ATOM 547 CG LEU A 36 6.441 -10.089 -2.968 1.00 0.00 C ATOM 548 CD1 LEU A 36 6.219 -11.346 -2.139 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.220 -10.378 -4.445 1.00 0.00 C ATOM 0 H LEU A 36 7.548 -7.622 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 36 6.046 -7.694 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.531 -8.934 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.496 -9.204 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 36 7.473 -9.765 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.885 -12.135 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.428 -11.132 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.184 -11.673 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.886 -11.180 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.185 -10.680 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.430 -9.481 -5.027 1.00 0.00 H new ATOM 561 N TRP A 37 4.552 -6.106 -1.633 1.00 0.00 N ATOM 562 CA TRP A 37 3.501 -5.148 -1.426 1.00 0.00 C ATOM 563 C TRP A 37 3.751 -3.927 -2.283 1.00 0.00 C ATOM 564 O TRP A 37 2.799 -3.397 -2.877 1.00 0.00 O ATOM 565 CB TRP A 37 3.404 -4.749 0.031 1.00 0.00 C ATOM 566 CG TRP A 37 2.740 -5.789 0.869 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.752 -7.132 0.645 1.00 0.00 C ATOM 568 CD2 TRP A 37 1.974 -5.581 2.059 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.077 -7.783 1.657 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.588 -6.847 2.536 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.589 -4.450 2.777 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.845 -7.001 3.708 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.858 -4.603 3.922 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.496 -5.864 4.387 1.00 0.00 C ATOM 0 H TRP A 37 5.097 -6.352 -0.806 1.00 0.00 H new ATOM 0 HA TRP A 37 2.555 -5.607 -1.712 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.405 -4.560 0.419 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.849 -3.814 0.111 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.220 -7.616 -0.199 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.960 -8.793 1.739 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.865 -3.464 2.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.557 -7.979 4.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.555 -3.728 4.477 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.072 -5.948 5.302 1.00 0.00 H new ATOM 585 N LEU A 38 5.044 -3.506 -2.405 1.00 0.00 N ATOM 586 CA LEU A 38 5.359 -2.360 -3.231 1.00 0.00 C ATOM 587 C LEU A 38 4.416 -2.415 -4.431 1.00 0.00 C ATOM 588 O LEU A 38 3.639 -1.481 -4.677 1.00 0.00 O ATOM 589 CB LEU A 38 6.837 -2.375 -3.686 1.00 0.00 C ATOM 590 CG LEU A 38 7.862 -2.026 -2.607 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.174 -1.599 -3.243 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.342 -0.937 -1.678 1.00 0.00 C ATOM 0 H LEU A 38 5.844 -3.944 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 38 5.226 -1.436 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.069 -3.366 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.952 -1.673 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 38 8.035 -2.920 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.894 -1.354 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.564 -2.413 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.006 -0.723 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.095 -0.713 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.128 -0.038 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.430 -1.280 -1.190 1.00 0.00 H new ATOM 604 N LYS A 39 4.403 -3.578 -5.119 1.00 0.00 N ATOM 605 CA LYS A 39 3.545 -3.780 -6.247 1.00 0.00 C ATOM 606 C LYS A 39 2.118 -3.257 -6.020 1.00 0.00 C ATOM 607 O LYS A 39 1.690 -2.291 -6.665 1.00 0.00 O ATOM 608 CB LYS A 39 3.580 -5.289 -6.592 1.00 0.00 C ATOM 609 CG LYS A 39 4.598 -5.676 -7.656 1.00 0.00 C ATOM 610 CD LYS A 39 5.932 -4.966 -7.470 1.00 0.00 C ATOM 611 CE LYS A 39 6.655 -4.785 -8.794 1.00 0.00 C ATOM 612 NZ LYS A 39 7.153 -6.078 -9.339 1.00 0.00 N ATOM 0 H LYS A 39 4.991 -4.380 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 39 3.909 -3.195 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.794 -5.851 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.589 -5.594 -6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.757 -6.754 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.197 -5.438 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.766 -3.992 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.559 -5.540 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.981 -4.323 -9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.493 -4.102 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.640 -5.909 -10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.817 -6.507 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.351 -6.722 -9.493 1.00 0.00 H new ATOM 626 N ASN A 40 1.400 -3.875 -5.096 1.00 0.00 N ATOM 627 CA ASN A 40 0.015 -3.508 -4.811 1.00 0.00 C ATOM 628 C ASN A 40 -0.155 -2.044 -4.472 1.00 0.00 C ATOM 629 O ASN A 40 -1.124 -1.403 -4.881 1.00 0.00 O ATOM 630 CB ASN A 40 -0.552 -4.356 -3.650 1.00 0.00 C ATOM 631 CG ASN A 40 0.353 -5.496 -3.204 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.243 -5.931 -3.935 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.113 -5.997 -2.001 1.00 0.00 N ATOM 0 H ASN A 40 1.755 -4.641 -4.523 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.537 -3.706 -5.730 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.741 -3.703 -2.798 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.514 -4.769 -3.954 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.676 -6.772 -1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.634 -5.608 -1.426 1.00 0.00 H new ATOM 640 N VAL A 41 0.756 -1.546 -3.683 1.00 0.00 N ATOM 641 CA VAL A 41 0.698 -0.176 -3.218 1.00 0.00 C ATOM 642 C VAL A 41 1.192 0.871 -4.203 1.00 0.00 C ATOM 643 O VAL A 41 0.837 2.031 -4.048 1.00 0.00 O ATOM 644 CB VAL A 41 1.365 0.021 -1.842 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.665 0.786 -1.958 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.406 0.754 -0.921 1.00 0.00 C ATOM 0 H VAL A 41 1.560 -2.072 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.373 -0.002 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 41 1.599 -0.960 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.106 0.906 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.355 0.237 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.472 1.768 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.874 0.895 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.160 1.725 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.506 0.168 -0.804 1.00 0.00 H new ATOM 656 N SER A 42 2.036 0.512 -5.180 1.00 0.00 N ATOM 657 CA SER A 42 2.563 1.530 -6.113 1.00 0.00 C ATOM 658 C SER A 42 4.005 1.180 -6.572 1.00 0.00 C ATOM 659 O SER A 42 4.151 0.442 -7.545 1.00 0.00 O ATOM 660 CB SER A 42 2.479 2.968 -5.501 1.00 0.00 C ATOM 661 OG SER A 42 3.592 3.756 -5.888 1.00 0.00 O ATOM 0 H SER A 42 2.362 -0.440 -5.347 1.00 0.00 H new ATOM 0 HA SER A 42 1.930 1.524 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.558 3.451 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.438 2.901 -4.414 1.00 0.00 H new ATOM 0 HG SER A 42 3.587 4.598 -5.387 1.00 0.00 H new ATOM 667 N ARG A 43 5.083 1.694 -5.905 1.00 0.00 N ATOM 668 CA ARG A 43 6.454 1.379 -6.324 1.00 0.00 C ATOM 669 C ARG A 43 6.908 2.268 -7.488 1.00 0.00 C ATOM 670 O ARG A 43 8.095 2.557 -7.624 1.00 0.00 O ATOM 671 CB ARG A 43 6.594 -0.116 -6.689 1.00 0.00 C ATOM 672 CG ARG A 43 6.844 -0.395 -8.172 1.00 0.00 C ATOM 673 CD ARG A 43 6.057 -1.598 -8.663 1.00 0.00 C ATOM 674 NE ARG A 43 6.380 -1.925 -10.051 1.00 0.00 N ATOM 675 CZ ARG A 43 5.499 -2.386 -10.938 1.00 0.00 C ATOM 676 NH1 ARG A 43 4.238 -2.605 -10.585 1.00 0.00 N ATOM 677 NH2 ARG A 43 5.882 -2.637 -12.182 1.00 0.00 N ATOM 0 H ARG A 43 5.016 2.312 -5.096 1.00 0.00 H new ATOM 0 HA ARG A 43 7.108 1.586 -5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.414 -0.541 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.686 -0.636 -6.384 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.569 0.482 -8.758 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.908 -0.566 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.271 -2.457 -8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.990 -1.395 -8.576 1.00 0.00 H new ATOM 0 HE ARG A 43 7.343 -1.791 -10.361 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.937 -2.420 -9.628 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.570 -2.958 -11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.850 -2.477 -12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.208 -2.990 -12.862 1.00 0.00 H new ATOM 691 N ALA A 44 5.960 2.676 -8.332 1.00 0.00 N ATOM 692 CA ALA A 44 6.262 3.514 -9.494 1.00 0.00 C ATOM 693 C ALA A 44 6.940 4.842 -9.088 1.00 0.00 C ATOM 694 O ALA A 44 6.336 5.903 -9.244 1.00 0.00 O ATOM 695 CB ALA A 44 4.969 3.791 -10.267 1.00 0.00 C ATOM 0 H ALA A 44 4.973 2.439 -8.232 1.00 0.00 H new ATOM 0 HA ALA A 44 6.966 2.976 -10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.189 4.415 -11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.535 2.848 -10.600 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.261 4.307 -9.619 1.00 0.00 H new ATOM 701 N GLY A 45 8.190 4.802 -8.569 1.00 0.00 N ATOM 702 CA GLY A 45 8.850 6.032 -8.180 1.00 0.00 C ATOM 703 C GLY A 45 10.038 6.355 -9.061 1.00 0.00 C ATOM 704 O GLY A 45 11.130 6.624 -8.564 1.00 0.00 O ATOM 0 H GLY A 45 8.733 3.951 -8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.135 6.854 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.181 5.952 -7.144 1.00 0.00 H new ATOM 708 N VAL A 46 9.817 6.328 -10.369 1.00 0.00 N ATOM 709 CA VAL A 46 10.866 6.622 -11.339 1.00 0.00 C ATOM 710 C VAL A 46 11.479 8.028 -11.084 1.00 0.00 C ATOM 711 O VAL A 46 11.184 8.962 -11.819 1.00 0.00 O ATOM 712 CB VAL A 46 10.308 6.532 -12.789 1.00 0.00 C ATOM 713 CG1 VAL A 46 9.749 7.860 -13.279 1.00 0.00 C ATOM 714 CG2 VAL A 46 11.380 6.022 -13.741 1.00 0.00 C ATOM 0 H VAL A 46 8.913 6.104 -10.786 1.00 0.00 H new ATOM 0 HA VAL A 46 11.654 5.878 -11.221 1.00 0.00 H new ATOM 0 HB VAL A 46 9.480 5.823 -12.770 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.373 7.744 -14.295 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.936 8.176 -12.625 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.537 8.613 -13.268 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.973 5.965 -14.751 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.230 6.704 -13.730 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.706 5.031 -13.425 1.00 0.00 H new ATOM 724 N SER A 47 12.312 8.201 -10.030 1.00 0.00 N ATOM 725 CA SER A 47 12.912 9.504 -9.709 1.00 0.00 C ATOM 726 C SER A 47 12.438 10.634 -10.662 1.00 0.00 C ATOM 727 O SER A 47 11.606 11.440 -10.253 1.00 0.00 O ATOM 728 CB SER A 47 14.426 9.383 -9.793 1.00 0.00 C ATOM 729 OG SER A 47 15.049 10.654 -9.711 1.00 0.00 O ATOM 0 H SER A 47 12.579 7.451 -9.392 1.00 0.00 H new ATOM 0 HA SER A 47 12.592 9.774 -8.702 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.787 8.746 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.703 8.899 -10.730 1.00 0.00 H new ATOM 0 HG SER A 47 16.021 10.546 -9.766 1.00 0.00 H new ATOM 735 N GLY A 48 12.945 10.705 -11.938 1.00 0.00 N ATOM 736 CA GLY A 48 12.500 11.757 -12.846 1.00 0.00 C ATOM 737 C GLY A 48 12.241 13.085 -12.153 1.00 0.00 C ATOM 738 O GLY A 48 13.156 13.889 -11.972 1.00 0.00 O ATOM 0 H GLY A 48 13.635 10.061 -12.326 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.254 11.901 -13.620 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.587 11.433 -13.346 1.00 0.00 H new ATOM 742 N CYS A 49 10.990 13.308 -11.763 1.00 0.00 N ATOM 743 CA CYS A 49 10.601 14.537 -11.081 1.00 0.00 C ATOM 744 C CYS A 49 10.055 14.225 -9.682 1.00 0.00 C ATOM 745 O CYS A 49 10.490 13.269 -9.045 1.00 0.00 O ATOM 746 CB CYS A 49 9.555 15.289 -11.913 1.00 0.00 C ATOM 747 SG CYS A 49 9.913 15.342 -13.684 1.00 0.00 S ATOM 0 H CYS A 49 10.225 12.650 -11.909 1.00 0.00 H new ATOM 0 HA CYS A 49 11.481 15.171 -10.969 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.583 14.819 -11.764 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.476 16.310 -11.539 1.00 0.00 H new ATOM 0 HG CYS A 49 8.972 15.996 -14.298 1.00 0.00 H new ATOM 753 N PHE A 50 9.105 15.034 -9.211 1.00 0.00 N ATOM 754 CA PHE A 50 8.503 14.844 -7.890 1.00 0.00 C ATOM 755 C PHE A 50 8.216 13.356 -7.594 1.00 0.00 C ATOM 756 O PHE A 50 8.297 12.942 -6.440 1.00 0.00 O ATOM 757 CB PHE A 50 7.200 15.638 -7.798 1.00 0.00 C ATOM 758 CG PHE A 50 6.609 15.665 -6.417 1.00 0.00 C ATOM 759 CD1 PHE A 50 7.405 15.932 -5.315 1.00 0.00 C ATOM 760 CD2 PHE A 50 5.259 15.425 -6.223 1.00 0.00 C ATOM 761 CE1 PHE A 50 6.863 15.958 -4.042 1.00 0.00 C ATOM 762 CE2 PHE A 50 4.712 15.451 -4.953 1.00 0.00 C ATOM 763 CZ PHE A 50 5.516 15.717 -3.863 1.00 0.00 C ATOM 0 H PHE A 50 8.734 15.831 -9.728 1.00 0.00 H new ATOM 0 HA PHE A 50 9.218 15.202 -7.149 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.384 16.661 -8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.473 15.208 -8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.459 16.122 -5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.626 15.215 -7.073 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.493 16.167 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.657 15.263 -4.814 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.091 15.737 -2.870 1.00 0.00 H new ATOM 773 N SER A 51 7.859 12.549 -8.627 1.00 0.00 N ATOM 774 CA SER A 51 7.557 11.130 -8.421 1.00 0.00 C ATOM 775 C SER A 51 8.771 10.344 -7.891 1.00 0.00 C ATOM 776 O SER A 51 9.232 9.404 -8.541 1.00 0.00 O ATOM 777 CB SER A 51 7.087 10.511 -9.739 1.00 0.00 C ATOM 778 OG SER A 51 6.296 9.358 -9.509 1.00 0.00 O ATOM 0 H SER A 51 7.777 12.862 -9.594 1.00 0.00 H new ATOM 0 HA SER A 51 6.771 11.069 -7.668 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.511 11.244 -10.303 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.951 10.247 -10.349 1.00 0.00 H new ATOM 0 HG SER A 51 6.007 8.983 -10.367 1.00 0.00 H new ATOM 784 N THR A 52 9.287 10.719 -6.716 1.00 0.00 N ATOM 785 CA THR A 52 10.433 10.032 -6.127 1.00 0.00 C ATOM 786 C THR A 52 10.093 9.522 -4.723 1.00 0.00 C ATOM 787 O THR A 52 10.737 9.907 -3.746 1.00 0.00 O ATOM 788 CB THR A 52 11.633 10.977 -6.052 1.00 0.00 C ATOM 789 OG1 THR A 52 11.445 11.945 -5.036 1.00 0.00 O ATOM 790 CG2 THR A 52 11.895 11.715 -7.344 1.00 0.00 C ATOM 0 H THR A 52 8.928 11.493 -6.158 1.00 0.00 H new ATOM 0 HA THR A 52 10.683 9.181 -6.760 1.00 0.00 H new ATOM 0 HB THR A 52 12.490 10.339 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.433 11.503 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.759 12.368 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.093 10.997 -8.140 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.022 12.314 -7.604 1.00 0.00 H new ATOM 798 N PHE A 53 9.072 8.669 -4.618 1.00 0.00 N ATOM 799 CA PHE A 53 8.660 8.142 -3.321 1.00 0.00 C ATOM 800 C PHE A 53 9.374 6.832 -2.979 1.00 0.00 C ATOM 801 O PHE A 53 8.792 5.959 -2.342 1.00 0.00 O ATOM 802 CB PHE A 53 7.141 7.937 -3.291 1.00 0.00 C ATOM 803 CG PHE A 53 6.602 7.085 -4.412 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.955 5.746 -4.533 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.727 7.624 -5.341 1.00 0.00 C ATOM 806 CE1 PHE A 53 6.446 4.968 -5.555 1.00 0.00 C ATOM 807 CE2 PHE A 53 5.218 6.850 -6.368 1.00 0.00 C ATOM 808 CZ PHE A 53 5.578 5.520 -6.473 1.00 0.00 C ATOM 0 H PHE A 53 8.522 8.333 -5.408 1.00 0.00 H new ATOM 0 HA PHE A 53 8.943 8.876 -2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.868 7.479 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.655 8.912 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.636 5.308 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.439 8.662 -5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.728 3.928 -5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.540 7.285 -7.087 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.180 4.914 -7.273 1.00 0.00 H new ATOM 818 N GLN A 54 10.640 6.710 -3.391 1.00 0.00 N ATOM 819 CA GLN A 54 11.458 5.513 -3.125 1.00 0.00 C ATOM 820 C GLN A 54 10.874 4.648 -1.997 1.00 0.00 C ATOM 821 O GLN A 54 10.532 5.164 -0.931 1.00 0.00 O ATOM 822 CB GLN A 54 12.883 5.938 -2.765 1.00 0.00 C ATOM 823 CG GLN A 54 13.834 5.958 -3.951 1.00 0.00 C ATOM 824 CD GLN A 54 14.993 6.916 -3.748 1.00 0.00 C ATOM 825 OE1 GLN A 54 15.021 8.005 -4.321 1.00 0.00 O ATOM 826 NE2 GLN A 54 15.958 6.513 -2.929 1.00 0.00 N ATOM 0 H GLN A 54 11.129 7.434 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 54 11.462 4.908 -4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.854 6.931 -2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.275 5.259 -2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.222 4.953 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.285 6.242 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.894 5.602 -2.475 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.763 7.115 -2.754 1.00 0.00 H new ATOM 835 N PRO A 55 10.748 3.320 -2.207 1.00 0.00 N ATOM 836 CA PRO A 55 10.197 2.420 -1.191 1.00 0.00 C ATOM 837 C PRO A 55 11.113 2.277 0.014 1.00 0.00 C ATOM 838 O PRO A 55 10.647 2.038 1.128 1.00 0.00 O ATOM 839 CB PRO A 55 10.029 1.074 -1.903 1.00 0.00 C ATOM 840 CG PRO A 55 10.364 1.308 -3.344 1.00 0.00 C ATOM 841 CD PRO A 55 11.131 2.600 -3.431 1.00 0.00 C ATOM 0 HA PRO A 55 9.258 2.807 -0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.687 0.321 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.009 0.704 -1.797 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.958 0.483 -3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.456 1.361 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.206 2.425 -3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.866 3.163 -4.326 1.00 0.00 H new ATOM 849 N THR A 56 12.416 2.437 -0.203 1.00 0.00 N ATOM 850 CA THR A 56 13.382 2.340 0.885 1.00 0.00 C ATOM 851 C THR A 56 12.910 3.190 2.078 1.00 0.00 C ATOM 852 O THR A 56 13.044 2.769 3.227 1.00 0.00 O ATOM 853 CB THR A 56 14.764 2.808 0.422 1.00 0.00 C ATOM 854 OG1 THR A 56 15.606 3.064 1.531 1.00 0.00 O ATOM 855 CG2 THR A 56 14.727 4.063 -0.423 1.00 0.00 C ATOM 0 H THR A 56 12.824 2.633 -1.117 1.00 0.00 H new ATOM 0 HA THR A 56 13.457 1.297 1.193 1.00 0.00 H new ATOM 0 HB THR A 56 15.149 1.992 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 56 16.484 3.360 1.213 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.741 4.335 -0.715 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.129 3.883 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.284 4.876 0.152 1.00 0.00 H new ATOM 863 N THR A 57 12.340 4.391 1.808 1.00 0.00 N ATOM 864 CA THR A 57 11.854 5.247 2.881 1.00 0.00 C ATOM 865 C THR A 57 10.815 4.517 3.728 1.00 0.00 C ATOM 866 O THR A 57 10.689 4.776 4.927 1.00 0.00 O ATOM 867 CB THR A 57 11.250 6.530 2.305 1.00 0.00 C ATOM 868 OG1 THR A 57 10.943 7.448 3.340 1.00 0.00 O ATOM 869 CG2 THR A 57 9.981 6.295 1.510 1.00 0.00 C ATOM 0 H THR A 57 12.214 4.770 0.869 1.00 0.00 H new ATOM 0 HA THR A 57 12.700 5.507 3.518 1.00 0.00 H new ATOM 0 HB THR A 57 12.010 6.929 1.633 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.559 8.262 2.952 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.607 7.246 1.131 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.194 5.630 0.673 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.228 5.840 2.153 1.00 0.00 H new ATOM 877 N GLY A 58 10.070 3.604 3.103 1.00 0.00 N ATOM 878 CA GLY A 58 9.057 2.861 3.832 1.00 0.00 C ATOM 879 C GLY A 58 7.640 3.062 3.265 1.00 0.00 C ATOM 880 O GLY A 58 6.937 3.955 3.735 1.00 0.00 O ATOM 0 H GLY A 58 10.150 3.369 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.305 1.800 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.071 3.168 4.878 1.00 0.00 H new ATOM 884 N HIS A 59 7.182 2.261 2.272 1.00 0.00 N ATOM 885 CA HIS A 59 5.834 2.453 1.746 1.00 0.00 C ATOM 886 C HIS A 59 4.809 1.803 2.674 1.00 0.00 C ATOM 887 O HIS A 59 5.056 0.754 3.269 1.00 0.00 O ATOM 888 CB HIS A 59 5.697 1.885 0.322 1.00 0.00 C ATOM 889 CG HIS A 59 5.699 2.929 -0.754 1.00 0.00 C ATOM 890 ND1 HIS A 59 4.968 3.046 -1.901 1.00 0.00 N flip ATOM 891 CD2 HIS A 59 6.530 4.025 -0.721 1.00 0.00 C flip ATOM 892 CE1 HIS A 59 5.379 4.199 -2.520 1.00 0.00 C flip ATOM 893 NE2 HIS A 59 6.316 4.768 -1.788 1.00 0.00 N flip ATOM 0 H HIS A 59 7.714 1.505 1.840 1.00 0.00 H new ATOM 0 HA HIS A 59 5.645 3.525 1.697 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.515 1.188 0.140 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.771 1.313 0.257 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.246 4.242 0.058 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.997 4.579 -3.456 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.796 5.640 -2.011 1.00 0.00 H new ATOM 902 N ARG A 60 3.675 2.468 2.802 1.00 0.00 N ATOM 903 CA ARG A 60 2.579 2.035 3.664 1.00 0.00 C ATOM 904 C ARG A 60 1.357 1.636 2.792 1.00 0.00 C ATOM 905 O ARG A 60 1.380 1.840 1.580 1.00 0.00 O ATOM 906 CB ARG A 60 2.252 3.161 4.659 1.00 0.00 C ATOM 907 CG ARG A 60 1.367 4.262 4.090 1.00 0.00 C ATOM 908 CD ARG A 60 2.189 5.346 3.407 1.00 0.00 C ATOM 909 NE ARG A 60 3.083 6.028 4.340 1.00 0.00 N ATOM 910 CZ ARG A 60 2.688 6.981 5.183 1.00 0.00 C ATOM 911 NH1 ARG A 60 1.419 7.367 5.210 1.00 0.00 N ATOM 912 NH2 ARG A 60 3.564 7.548 6.000 1.00 0.00 N ATOM 0 H ARG A 60 3.482 3.337 2.305 1.00 0.00 H new ATOM 0 HA ARG A 60 2.863 1.154 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.759 2.729 5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.185 3.604 5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.665 3.832 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.775 4.704 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.775 4.903 2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.519 6.074 2.950 1.00 0.00 H new ATOM 0 HE ARG A 60 4.067 5.759 4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.741 6.934 4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.122 8.097 5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.541 7.255 5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.261 8.278 6.645 1.00 0.00 H new ATOM 926 N LEU A 61 0.323 1.030 3.395 1.00 0.00 N ATOM 927 CA LEU A 61 -0.870 0.554 2.656 1.00 0.00 C ATOM 928 C LEU A 61 -2.138 1.349 3.109 1.00 0.00 C ATOM 929 O LEU A 61 -2.126 1.901 4.204 1.00 0.00 O ATOM 930 CB LEU A 61 -1.086 -0.932 3.020 1.00 0.00 C ATOM 931 CG LEU A 61 -1.050 -1.998 1.911 1.00 0.00 C ATOM 932 CD1 LEU A 61 -2.281 -2.870 1.983 1.00 0.00 C ATOM 933 CD2 LEU A 61 -0.895 -1.416 0.530 1.00 0.00 C ATOM 0 H LEU A 61 0.284 0.854 4.399 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.718 0.692 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.328 -1.201 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.054 -1.009 3.516 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.162 -2.604 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.243 -3.620 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.319 -3.366 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.171 -2.254 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.877 -2.221 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.733 -0.751 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.037 -0.854 0.475 1.00 0.00 H new ATOM 945 N CYS A 62 -3.233 1.430 2.289 1.00 0.00 N ATOM 946 CA CYS A 62 -4.425 2.190 2.703 1.00 0.00 C ATOM 947 C CYS A 62 -5.716 1.283 2.819 1.00 0.00 C ATOM 948 O CYS A 62 -5.637 0.065 2.660 1.00 0.00 O ATOM 949 CB CYS A 62 -4.513 3.529 1.888 1.00 0.00 C ATOM 950 SG CYS A 62 -5.579 3.586 0.455 1.00 0.00 S ATOM 0 H CYS A 62 -3.301 0.990 1.371 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.336 2.526 3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.836 4.313 2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.505 3.785 1.562 1.00 0.00 H new ATOM 955 N SER A 63 -6.838 1.881 3.268 1.00 0.00 N ATOM 956 CA SER A 63 -8.116 1.229 3.629 1.00 0.00 C ATOM 957 C SER A 63 -8.703 0.056 2.821 1.00 0.00 C ATOM 958 O SER A 63 -8.578 -1.110 3.200 1.00 0.00 O ATOM 959 CB SER A 63 -9.213 2.325 3.781 1.00 0.00 C ATOM 960 OG SER A 63 -9.650 2.420 5.125 1.00 0.00 O ATOM 0 H SER A 63 -6.880 2.892 3.396 1.00 0.00 H new ATOM 0 HA SER A 63 -7.816 0.710 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.819 3.287 3.454 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.059 2.090 3.135 1.00 0.00 H new ATOM 0 HG SER A 63 -10.215 3.214 5.230 1.00 0.00 H new ATOM 966 N VAL A 64 -9.516 0.419 1.858 1.00 0.00 N ATOM 967 CA VAL A 64 -10.382 -0.527 1.106 1.00 0.00 C ATOM 968 C VAL A 64 -9.733 -1.606 0.244 1.00 0.00 C ATOM 969 O VAL A 64 -10.264 -1.942 -0.817 1.00 0.00 O ATOM 970 CB VAL A 64 -11.397 0.230 0.244 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.128 1.276 1.068 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.703 0.865 -0.934 1.00 0.00 C ATOM 0 H VAL A 64 -9.614 1.387 1.552 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.837 -1.085 1.925 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.136 -0.479 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.844 1.802 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.656 0.789 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.409 1.989 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.433 1.401 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.945 1.563 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.228 0.091 -1.537 1.00 0.00 H new ATOM 982 N HIS A 65 -8.645 -2.181 0.686 1.00 0.00 N ATOM 983 CA HIS A 65 -8.023 -3.259 -0.097 1.00 0.00 C ATOM 984 C HIS A 65 -7.564 -4.410 0.789 1.00 0.00 C ATOM 985 O HIS A 65 -6.472 -4.947 0.613 1.00 0.00 O ATOM 986 CB HIS A 65 -6.880 -2.736 -0.954 1.00 0.00 C ATOM 987 CG HIS A 65 -6.360 -1.436 -0.521 1.00 0.00 C ATOM 988 ND1 HIS A 65 -7.175 -0.364 -0.277 1.00 0.00 N ATOM 989 CD2 HIS A 65 -5.110 -1.038 -0.245 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.457 0.629 0.144 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.201 0.243 0.179 1.00 0.00 N ATOM 0 H HIS A 65 -8.169 -1.942 1.556 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.789 -3.650 -0.767 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.068 -3.463 -0.943 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.221 -2.655 -1.986 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.187 -0.349 -0.406 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.208 -1.625 -0.342 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.827 1.606 0.419 1.00 0.00 H new ATOM 999 N PHE A 66 -8.421 -4.803 1.730 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.112 -5.910 2.623 1.00 0.00 C ATOM 1001 C PHE A 66 -9.310 -6.877 2.691 1.00 0.00 C ATOM 1002 O PHE A 66 -10.402 -6.519 2.249 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.796 -5.377 4.023 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.332 -5.286 4.315 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.518 -6.395 4.181 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.772 -4.089 4.728 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -4.170 -6.315 4.454 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -4.423 -4.002 5.003 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.623 -5.117 4.865 1.00 0.00 C ATOM 0 H PHE A 66 -9.331 -4.371 1.891 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.242 -6.444 2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.242 -4.389 4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.266 -6.025 4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.943 -7.334 3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.397 -3.215 4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.543 -7.188 4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.995 -3.064 5.325 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.566 -5.052 5.079 1.00 0.00 H new ATOM 1019 N GLN A 67 -9.140 -8.087 3.257 1.00 0.00 N ATOM 1020 CA GLN A 67 -10.249 -9.021 3.365 1.00 0.00 C ATOM 1021 C GLN A 67 -10.733 -9.045 4.843 1.00 0.00 C ATOM 1022 O GLN A 67 -9.898 -8.841 5.717 1.00 0.00 O ATOM 1023 CB GLN A 67 -9.809 -10.423 2.937 1.00 0.00 C ATOM 1024 CG GLN A 67 -8.760 -11.039 3.849 1.00 0.00 C ATOM 1025 CD GLN A 67 -9.359 -11.657 5.096 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -8.985 -11.313 6.217 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -10.299 -12.577 4.906 1.00 0.00 N ATOM 0 H GLN A 67 -8.256 -8.426 3.637 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.061 -8.704 2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.682 -11.075 2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.413 -10.376 1.922 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.209 -11.802 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.041 -10.273 4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.579 -12.832 3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.741 -13.028 5.707 1.00 0.00 H new ATOM 1036 N GLY A 68 -12.042 -9.290 5.154 1.00 0.00 N ATOM 1037 CA GLY A 68 -12.498 -9.315 6.549 1.00 0.00 C ATOM 1038 C GLY A 68 -11.668 -8.457 7.511 1.00 0.00 C ATOM 1039 O GLY A 68 -12.131 -7.405 7.950 1.00 0.00 O ATOM 0 H GLY A 68 -12.772 -9.467 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.534 -8.977 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.487 -10.346 6.902 1.00 0.00 H new ATOM 1043 N GLY A 69 -10.443 -8.894 7.846 1.00 0.00 N ATOM 1044 CA GLY A 69 -9.604 -8.126 8.753 1.00 0.00 C ATOM 1045 C GLY A 69 -8.370 -8.897 9.186 1.00 0.00 C ATOM 1046 O GLY A 69 -8.353 -10.128 9.133 1.00 0.00 O ATOM 0 H GLY A 69 -10.026 -9.760 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.299 -7.200 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.184 -7.848 9.633 1.00 0.00 H new ATOM 1050 N ARG A 70 -7.330 -8.177 9.612 1.00 0.00 N ATOM 1051 CA ARG A 70 -6.082 -8.804 10.054 1.00 0.00 C ATOM 1052 C ARG A 70 -5.632 -9.877 9.063 1.00 0.00 C ATOM 1053 O ARG A 70 -5.305 -10.997 9.455 1.00 0.00 O ATOM 1054 CB ARG A 70 -6.230 -9.412 11.462 1.00 0.00 C ATOM 1055 CG ARG A 70 -7.668 -9.565 11.934 1.00 0.00 C ATOM 1056 CD ARG A 70 -7.732 -10.008 13.388 1.00 0.00 C ATOM 1057 NE ARG A 70 -7.504 -8.900 14.312 1.00 0.00 N ATOM 1058 CZ ARG A 70 -8.436 -8.010 14.648 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -9.658 -8.090 14.134 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -8.145 -7.037 15.500 1.00 0.00 N ATOM 0 H ARG A 70 -7.327 -7.158 9.660 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.321 -8.025 10.096 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.751 -10.391 11.474 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.692 -8.785 12.173 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.193 -8.617 11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.182 -10.294 11.307 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.707 -10.451 13.589 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.987 -10.784 13.563 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.576 -8.802 14.724 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.887 -8.836 13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.367 -7.405 14.396 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.208 -6.970 15.898 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.858 -6.355 15.758 1.00 0.00 H new ATOM 1074 N LYS A 71 -5.632 -9.518 7.773 1.00 0.00 N ATOM 1075 CA LYS A 71 -5.236 -10.426 6.687 1.00 0.00 C ATOM 1076 C LYS A 71 -4.500 -11.665 7.215 1.00 0.00 C ATOM 1077 O LYS A 71 -3.467 -11.556 7.879 1.00 0.00 O ATOM 1078 CB LYS A 71 -4.404 -9.646 5.643 1.00 0.00 C ATOM 1079 CG LYS A 71 -2.936 -10.048 5.502 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.002 -8.943 5.976 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.302 -8.511 7.405 1.00 0.00 C ATOM 1082 NZ LYS A 71 -1.967 -7.077 7.630 1.00 0.00 N ATOM 0 H LYS A 71 -5.907 -8.590 7.452 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.134 -10.804 6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.884 -9.760 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.445 -8.587 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.750 -10.954 6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.722 -10.284 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.970 -9.289 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.092 -8.083 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.358 -8.676 7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.734 -9.130 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.338 -6.775 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.934 -6.955 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.395 -6.499 6.879 1.00 0.00 H new ATOM 1096 N THR A 72 -5.053 -12.842 6.928 1.00 0.00 N ATOM 1097 CA THR A 72 -4.464 -14.103 7.379 1.00 0.00 C ATOM 1098 C THR A 72 -4.767 -15.223 6.388 1.00 0.00 C ATOM 1099 O THR A 72 -5.920 -15.435 6.012 1.00 0.00 O ATOM 1100 CB THR A 72 -4.990 -14.474 8.768 1.00 0.00 C ATOM 1101 OG1 THR A 72 -4.289 -15.592 9.283 1.00 0.00 O ATOM 1102 CG2 THR A 72 -6.468 -14.812 8.787 1.00 0.00 C ATOM 0 H THR A 72 -5.909 -12.950 6.384 1.00 0.00 H new ATOM 0 HA THR A 72 -3.383 -13.972 7.437 1.00 0.00 H new ATOM 0 HB THR A 72 -4.833 -13.586 9.381 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.636 -15.815 10.172 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.770 -15.065 9.803 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.042 -13.953 8.441 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.655 -15.662 8.131 1.00 0.00 H new ATOM 1110 N TYR A 73 -3.724 -15.927 5.953 1.00 0.00 N ATOM 1111 CA TYR A 73 -3.885 -17.014 4.988 1.00 0.00 C ATOM 1112 C TYR A 73 -4.605 -16.485 3.739 1.00 0.00 C ATOM 1113 O TYR A 73 -5.021 -15.335 3.732 1.00 0.00 O ATOM 1114 CB TYR A 73 -4.679 -18.164 5.610 1.00 0.00 C ATOM 1115 CG TYR A 73 -4.411 -19.512 4.975 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -3.119 -19.906 4.649 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -5.453 -20.391 4.706 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -2.875 -21.139 4.071 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -5.216 -21.624 4.131 1.00 0.00 C ATOM 1120 CZ TYR A 73 -3.925 -21.993 3.815 1.00 0.00 C ATOM 1121 OH TYR A 73 -3.685 -23.221 3.242 1.00 0.00 O ATOM 0 H TYR A 73 -2.762 -15.766 6.251 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.902 -17.390 4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.444 -18.221 6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.743 -17.942 5.531 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.293 -19.240 4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.465 -20.105 4.951 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.866 -21.431 3.822 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.037 -22.296 3.930 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.532 -23.701 3.130 1.00 0.00 H new ATOM 1131 N THR A 74 -4.762 -17.311 2.692 1.00 0.00 N ATOM 1132 CA THR A 74 -5.440 -16.883 1.461 1.00 0.00 C ATOM 1133 C THR A 74 -4.998 -15.478 1.016 1.00 0.00 C ATOM 1134 O THR A 74 -4.404 -15.319 -0.051 1.00 0.00 O ATOM 1135 CB THR A 74 -6.961 -16.928 1.639 1.00 0.00 C ATOM 1136 OG1 THR A 74 -7.310 -16.816 3.008 1.00 0.00 O ATOM 1137 CG2 THR A 74 -7.589 -18.204 1.107 1.00 0.00 C ATOM 0 H THR A 74 -4.429 -18.275 2.675 1.00 0.00 H new ATOM 0 HA THR A 74 -5.152 -17.582 0.676 1.00 0.00 H new ATOM 0 HB THR A 74 -7.344 -16.085 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.285 -16.845 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.667 -18.172 1.264 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.380 -18.295 0.041 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.171 -19.062 1.633 1.00 0.00 H new ATOM 1145 N VAL A 75 -5.287 -14.466 1.837 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.920 -13.088 1.531 1.00 0.00 C ATOM 1147 C VAL A 75 -3.441 -12.850 1.882 1.00 0.00 C ATOM 1148 O VAL A 75 -3.119 -12.529 3.026 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.835 -12.145 2.380 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.686 -12.460 3.862 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -5.602 -10.649 2.130 1.00 0.00 C ATOM 0 H VAL A 75 -5.778 -14.580 2.724 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.055 -12.885 0.469 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.855 -12.347 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.328 -11.797 4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.975 -13.495 4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.648 -12.314 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.276 -10.066 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.570 -10.396 2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.794 -10.421 1.082 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.530 -13.008 0.900 1.00 0.00 N ATOM 1162 CA ARG A 76 -1.108 -12.802 1.164 1.00 0.00 C ATOM 1163 C ARG A 76 -0.690 -11.365 0.850 1.00 0.00 C ATOM 1164 O ARG A 76 0.023 -10.739 1.634 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.251 -13.801 0.372 1.00 0.00 C ATOM 1166 CG ARG A 76 1.224 -13.765 0.740 1.00 0.00 C ATOM 1167 CD ARG A 76 2.112 -13.937 -0.483 1.00 0.00 C ATOM 1168 NE ARG A 76 3.516 -13.659 -0.185 1.00 0.00 N ATOM 1169 CZ ARG A 76 4.289 -14.456 0.549 1.00 0.00 C ATOM 1170 NH1 ARG A 76 3.804 -15.588 1.047 1.00 0.00 N ATOM 1171 NH2 ARG A 76 5.551 -14.125 0.782 1.00 0.00 N ATOM 0 H ARG A 76 -2.755 -13.272 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.940 -12.977 2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.634 -14.808 0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.356 -13.593 -0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.455 -12.818 1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.439 -14.554 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.016 -14.955 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.771 -13.271 -1.275 1.00 0.00 H new ATOM 0 HE ARG A 76 3.927 -12.805 -0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.835 -15.850 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.401 -16.195 1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.930 -13.259 0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.143 -14.736 1.345 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.148 -10.832 -0.285 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.820 -9.462 -0.656 1.00 0.00 C ATOM 1187 C VAL A 77 -2.095 -8.712 -1.075 1.00 0.00 C ATOM 1188 O VAL A 77 -2.834 -9.178 -1.939 1.00 0.00 O ATOM 1189 CB VAL A 77 0.225 -9.443 -1.809 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.273 -10.525 -1.600 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.445 -9.612 -3.162 1.00 0.00 C ATOM 0 H VAL A 77 -1.740 -11.325 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.384 -8.961 0.208 1.00 0.00 H new ATOM 0 HB VAL A 77 0.718 -8.471 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.994 -10.495 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.788 -10.355 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.789 -11.501 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.311 -9.595 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.975 -10.564 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.153 -8.799 -3.322 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.388 -7.555 -0.442 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.599 -6.757 -0.729 1.00 0.00 C ATOM 1203 C PRO A 78 -3.795 -6.287 -2.141 1.00 0.00 C ATOM 1204 O PRO A 78 -4.079 -5.100 -2.321 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.391 -5.517 0.138 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.633 -6.037 1.294 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.613 -6.932 0.664 1.00 0.00 C ATOM 0 HA PRO A 78 -4.474 -7.378 -0.539 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.836 -4.743 -0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.340 -5.076 0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.166 -5.233 1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.276 -6.584 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.753 -6.374 0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.234 -7.675 1.365 1.00 0.00 H new ATOM 1215 N THR A 79 -3.751 -7.139 -3.164 1.00 0.00 N ATOM 1216 CA THR A 79 -4.061 -6.539 -4.433 1.00 0.00 C ATOM 1217 C THR A 79 -5.435 -6.996 -4.901 1.00 0.00 C ATOM 1218 O THR A 79 -5.615 -8.093 -5.431 1.00 0.00 O ATOM 1219 CB THR A 79 -2.983 -6.940 -5.473 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.263 -8.219 -6.013 1.00 0.00 O ATOM 1221 CG2 THR A 79 -1.581 -6.996 -4.904 1.00 0.00 C ATOM 0 H THR A 79 -3.529 -8.134 -3.143 1.00 0.00 H new ATOM 0 HA THR A 79 -4.070 -5.454 -4.327 1.00 0.00 H new ATOM 0 HB THR A 79 -3.021 -6.160 -6.234 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.004 -8.628 -5.519 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.881 -7.283 -5.689 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.307 -6.016 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.544 -7.730 -4.099 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.371 -6.053 -4.802 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.728 -6.197 -5.303 1.00 0.00 C ATOM 1231 C ILE A 80 -8.049 -4.997 -6.197 1.00 0.00 C ATOM 1232 O ILE A 80 -8.457 -3.968 -5.667 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.752 -6.279 -4.145 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -8.555 -7.568 -3.342 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -10.178 -6.200 -4.676 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -7.822 -7.364 -2.033 1.00 0.00 C ATOM 0 H ILE A 80 -6.198 -5.150 -4.361 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.798 -7.125 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.584 -5.428 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.530 -8.010 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.002 -8.284 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.880 -6.260 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.318 -5.256 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.357 -7.028 -5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.720 -8.320 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.833 -6.951 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.385 -6.674 -1.405 1.00 0.00 H new ATOM 1248 N PHE A 81 -7.937 -5.096 -7.515 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.273 -3.952 -8.376 1.00 0.00 C ATOM 1250 C PHE A 81 -8.347 -4.389 -9.834 1.00 0.00 C ATOM 1251 O PHE A 81 -7.287 -4.428 -10.493 1.00 0.00 O ATOM 1252 CB PHE A 81 -7.269 -2.765 -8.249 1.00 0.00 C ATOM 1253 CG PHE A 81 -6.532 -2.630 -6.926 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -7.165 -2.138 -5.784 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -5.200 -2.998 -6.829 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -6.486 -2.035 -4.580 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -4.517 -2.901 -5.624 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.164 -2.423 -4.495 1.00 0.00 C ATOM 1259 OXT PHE A 81 -9.464 -4.688 -10.306 1.00 0.00 O ATOM 0 H PHE A 81 -7.625 -5.932 -8.009 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.244 -3.594 -8.034 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.528 -2.860 -9.043 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.813 -1.838 -8.431 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.200 -1.833 -5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.685 -3.366 -7.704 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.992 -1.651 -3.707 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.480 -3.198 -5.566 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.637 -2.355 -3.555 1.00 0.00 H new TER 1269 PHE A 81 HETATM 1270 ZN ZN A 82 -4.969 1.875 -0.911 1.00 0.00 ZN