USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=22 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 14 ASN : amide:sc= -12.9! C(o=-13!,f=-14!) USER MOD Set 1.2: A 63 SER OG : rot 100:sc= 0.00143 USER MOD Set 2.1: A 42 SER OG : rot 146:sc= -0.983! USER MOD Set 2.2: A 59 HIS :FLIP no HD1:sc= -5.93! C(o=-11!,f=-6.9!) USER MOD Set 3.1: A 6 THR OG1 : rot 105:sc= 0.834 USER MOD Set 3.2: A 17 HIS : no HD1:sc= -0.634 K(o=0.2,f=-0.31) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -110:sc= 0.0139 USER MOD Single : A 8 CYS SG : rot -40:sc= 0.0936 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -4.55! C(o=-4.6!,f=-18!) USER MOD Single : A 16 SER OG : rot 180:sc= -1.67! 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 USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.111 (180deg=-0.796) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0244 (180deg=-0.249) USER MOD Single : A 40 ASN : amide:sc= -2.98! C(o=-3!,f=-8.1!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.893! 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 77:sc= -0.574! USER MOD Single : A 54 GLN : amide:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -17.8! C(o=-18!,f=-20!) USER MOD Single : A 67 GLN : amide:sc= -0.557 K(o=-0.56,f=-2.5) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -136:sc= 0.309 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 60:sc= -0.194! USER MOD Single : A 79 THR OG1 : rot 180:sc= -1.43! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.388 19.641 -1.140 1.00 0.00 N ATOM 2 CA GLY A 1 3.356 19.432 -0.087 1.00 0.00 C ATOM 3 C GLY A 1 3.852 18.552 1.043 1.00 0.00 C ATOM 4 O GLY A 1 4.762 18.932 1.780 1.00 0.00 O ATOM 0 H1 GLY A 1 4.001 20.249 -1.890 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.224 20.097 -0.721 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.661 18.723 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.051 20.398 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.471 18.979 -0.534 1.00 0.00 H new ATOM 10 N SER A 2 3.252 17.374 1.179 1.00 0.00 N ATOM 11 CA SER A 2 3.638 16.436 2.227 1.00 0.00 C ATOM 12 C SER A 2 4.435 15.271 1.643 1.00 0.00 C ATOM 13 O SER A 2 4.475 15.084 0.426 1.00 0.00 O ATOM 14 CB SER A 2 2.397 15.911 2.953 1.00 0.00 C ATOM 15 OG SER A 2 1.232 16.081 2.162 1.00 0.00 O ATOM 0 H SER A 2 2.497 17.046 0.577 1.00 0.00 H new ATOM 0 HA SER A 2 4.270 16.964 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.529 14.855 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.277 16.436 3.900 1.00 0.00 H new ATOM 0 HG SER A 2 0.663 16.771 2.562 1.00 0.00 H new ATOM 21 N PRO A 3 5.081 14.468 2.505 1.00 0.00 N ATOM 22 CA PRO A 3 5.879 13.315 2.066 1.00 0.00 C ATOM 23 C PRO A 3 5.012 12.186 1.505 1.00 0.00 C ATOM 24 O PRO A 3 5.027 11.069 2.022 1.00 0.00 O ATOM 25 CB PRO A 3 6.583 12.865 3.348 1.00 0.00 C ATOM 26 CG PRO A 3 5.694 13.328 4.449 1.00 0.00 C ATOM 27 CD PRO A 3 5.086 14.617 3.972 1.00 0.00 C ATOM 0 HA PRO A 3 6.562 13.575 1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.711 11.783 3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.577 13.305 3.430 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.923 12.589 4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.258 13.479 5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.079 14.757 4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.674 15.479 4.287 1.00 0.00 H new ATOM 35 N GLY A 4 4.250 12.481 0.450 1.00 0.00 N ATOM 36 CA GLY A 4 3.390 11.474 -0.148 1.00 0.00 C ATOM 37 C GLY A 4 4.168 10.231 -0.583 1.00 0.00 C ATOM 38 O GLY A 4 5.378 10.165 -0.372 1.00 0.00 O ATOM 0 H GLY A 4 4.214 13.397 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.620 11.186 0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.880 11.901 -1.011 1.00 0.00 H new ATOM 42 N PHE A 5 3.488 9.232 -1.172 1.00 0.00 N ATOM 43 CA PHE A 5 4.164 8.002 -1.595 1.00 0.00 C ATOM 44 C PHE A 5 3.442 7.288 -2.759 1.00 0.00 C ATOM 45 O PHE A 5 4.090 6.733 -3.644 1.00 0.00 O ATOM 46 CB PHE A 5 4.286 7.052 -0.399 1.00 0.00 C ATOM 47 CG PHE A 5 4.958 7.662 0.799 1.00 0.00 C ATOM 48 CD1 PHE A 5 6.323 7.900 0.800 1.00 0.00 C ATOM 49 CD2 PHE A 5 4.222 7.993 1.925 1.00 0.00 C ATOM 50 CE1 PHE A 5 6.941 8.461 1.904 1.00 0.00 C ATOM 51 CE2 PHE A 5 4.834 8.552 3.031 1.00 0.00 C ATOM 52 CZ PHE A 5 6.195 8.786 3.020 1.00 0.00 C ATOM 0 H PHE A 5 2.486 9.254 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 5 5.151 8.285 -1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.290 6.716 -0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.845 6.168 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.911 7.645 -0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.157 7.812 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.005 8.644 1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.249 8.805 3.903 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.675 9.223 3.883 1.00 0.00 H new ATOM 62 N THR A 6 2.104 7.300 -2.735 1.00 0.00 N ATOM 63 CA THR A 6 1.259 6.655 -3.766 1.00 0.00 C ATOM 64 C THR A 6 0.880 5.219 -3.373 1.00 0.00 C ATOM 65 O THR A 6 1.729 4.331 -3.354 1.00 0.00 O ATOM 66 CB THR A 6 1.951 6.652 -5.132 1.00 0.00 C ATOM 67 OG1 THR A 6 2.664 7.860 -5.338 1.00 0.00 O ATOM 68 CG2 THR A 6 0.989 6.480 -6.288 1.00 0.00 C ATOM 0 H THR A 6 1.567 7.758 -1.999 1.00 0.00 H new ATOM 0 HA THR A 6 0.345 7.245 -3.837 1.00 0.00 H new ATOM 0 HB THR A 6 2.626 5.797 -5.112 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.624 7.694 -5.236 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.543 6.487 -7.227 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.462 5.532 -6.185 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.268 7.298 -6.286 1.00 0.00 H new ATOM 76 N CYS A 7 -0.409 4.999 -3.063 1.00 0.00 N ATOM 77 CA CYS A 7 -0.903 3.671 -2.681 1.00 0.00 C ATOM 78 C CYS A 7 -1.363 2.941 -3.940 1.00 0.00 C ATOM 79 O CYS A 7 -2.059 1.927 -3.861 1.00 0.00 O ATOM 80 CB CYS A 7 -2.059 3.751 -1.623 1.00 0.00 C ATOM 81 SG CYS A 7 -3.740 3.537 -2.288 1.00 0.00 S ATOM 0 H CYS A 7 -1.125 5.725 -3.070 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.092 3.119 -2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.887 2.989 -0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.005 4.718 -1.122 1.00 0.00 H new ATOM 86 N CYS A 8 -0.973 3.472 -5.113 1.00 0.00 N ATOM 87 CA CYS A 8 -1.366 2.871 -6.376 1.00 0.00 C ATOM 88 C CYS A 8 -2.856 2.614 -6.298 1.00 0.00 C ATOM 89 O CYS A 8 -3.339 1.501 -6.492 1.00 0.00 O ATOM 90 CB CYS A 8 -0.562 1.590 -6.619 1.00 0.00 C ATOM 91 SG CYS A 8 -1.179 0.534 -7.954 1.00 0.00 S ATOM 0 H CYS A 8 -0.393 4.306 -5.201 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.157 3.527 -7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.469 1.864 -6.841 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.546 1.010 -5.696 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.478 0.501 -7.916 1.00 0.00 H new ATOM 97 N VAL A 9 -3.558 3.673 -5.921 1.00 0.00 N ATOM 98 CA VAL A 9 -4.985 3.624 -5.702 1.00 0.00 C ATOM 99 C VAL A 9 -5.804 3.837 -6.980 1.00 0.00 C ATOM 100 O VAL A 9 -5.973 4.962 -7.449 1.00 0.00 O ATOM 101 CB VAL A 9 -5.366 4.664 -4.617 1.00 0.00 C ATOM 102 CG1 VAL A 9 -5.675 6.024 -5.170 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.521 4.181 -3.805 1.00 0.00 C ATOM 0 H VAL A 9 -3.146 4.592 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.233 2.619 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.483 4.770 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.933 6.699 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.802 6.409 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.515 5.953 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.772 4.926 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.381 4.020 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.255 3.244 -3.316 1.00 0.00 H new ATOM 113 N PRO A 10 -6.352 2.744 -7.552 1.00 0.00 N ATOM 114 CA PRO A 10 -7.181 2.819 -8.752 1.00 0.00 C ATOM 115 C PRO A 10 -8.615 3.192 -8.396 1.00 0.00 C ATOM 116 O PRO A 10 -9.276 3.941 -9.116 1.00 0.00 O ATOM 117 CB PRO A 10 -7.118 1.395 -9.292 1.00 0.00 C ATOM 118 CG PRO A 10 -7.026 0.551 -8.066 1.00 0.00 C ATOM 119 CD PRO A 10 -6.226 1.349 -7.069 1.00 0.00 C ATOM 0 HA PRO A 10 -6.844 3.572 -9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.003 1.151 -9.880 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.254 1.252 -9.942 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.017 0.321 -7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.541 -0.400 -8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.620 1.238 -6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.185 1.027 -7.042 1.00 0.00 H new ATOM 127 N GLY A 11 -9.077 2.663 -7.267 1.00 0.00 N ATOM 128 CA GLY A 11 -10.422 2.941 -6.801 1.00 0.00 C ATOM 129 C GLY A 11 -10.582 2.739 -5.300 1.00 0.00 C ATOM 130 O GLY A 11 -11.703 2.750 -4.791 1.00 0.00 O ATOM 0 H GLY A 11 -8.538 2.042 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.684 3.968 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.124 2.294 -7.327 1.00 0.00 H new ATOM 134 N CYS A 12 -9.468 2.556 -4.585 1.00 0.00 N ATOM 135 CA CYS A 12 -9.518 2.354 -3.137 1.00 0.00 C ATOM 136 C CYS A 12 -10.093 3.609 -2.440 1.00 0.00 C ATOM 137 O CYS A 12 -10.724 4.452 -3.080 1.00 0.00 O ATOM 138 CB CYS A 12 -8.110 1.993 -2.588 1.00 0.00 C ATOM 139 SG CYS A 12 -7.454 3.236 -1.465 1.00 0.00 S ATOM 0 H CYS A 12 -8.529 2.544 -4.983 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.182 1.517 -2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.162 1.035 -2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.422 1.867 -3.424 1.00 0.00 H new ATOM 144 N TYR A 13 -9.878 3.710 -1.125 1.00 0.00 N ATOM 145 CA TYR A 13 -10.364 4.822 -0.320 1.00 0.00 C ATOM 146 C TYR A 13 -9.408 6.025 -0.318 1.00 0.00 C ATOM 147 O TYR A 13 -9.809 7.158 -0.582 1.00 0.00 O ATOM 148 CB TYR A 13 -10.582 4.335 1.113 1.00 0.00 C ATOM 149 CG TYR A 13 -11.793 4.944 1.793 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.294 6.181 1.401 1.00 0.00 C ATOM 151 CD2 TYR A 13 -12.437 4.275 2.827 1.00 0.00 C ATOM 152 CE1 TYR A 13 -13.400 6.732 2.021 1.00 0.00 C ATOM 153 CE2 TYR A 13 -13.544 4.819 3.450 1.00 0.00 C ATOM 154 CZ TYR A 13 -14.022 6.047 3.044 1.00 0.00 C ATOM 155 OH TYR A 13 -15.124 6.592 3.663 1.00 0.00 O ATOM 0 H TYR A 13 -9.357 3.015 -0.590 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.299 5.166 -0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.690 3.250 1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.694 4.563 1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.811 6.720 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -12.066 3.313 3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.775 7.694 1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.033 4.285 4.251 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.442 5.982 4.361 1.00 0.00 H new ATOM 165 N ASN A 14 -8.161 5.762 0.056 1.00 0.00 N ATOM 166 CA ASN A 14 -7.112 6.785 0.199 1.00 0.00 C ATOM 167 C ASN A 14 -5.876 6.494 -0.681 1.00 0.00 C ATOM 168 O ASN A 14 -5.641 5.346 -1.039 1.00 0.00 O ATOM 169 CB ASN A 14 -6.664 6.897 1.652 1.00 0.00 C ATOM 170 CG ASN A 14 -7.447 5.992 2.588 1.00 0.00 C ATOM 171 OD1 ASN A 14 -6.868 5.204 3.334 1.00 0.00 O ATOM 172 ND2 ASN A 14 -8.769 6.115 2.560 1.00 0.00 N ATOM 0 H ASN A 14 -7.838 4.819 0.274 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.554 7.724 -0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.604 6.650 1.719 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.772 7.931 1.981 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.348 5.542 3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.206 6.782 1.924 1.00 0.00 H new ATOM 179 N ASN A 15 -5.068 7.513 -1.032 1.00 0.00 N ATOM 180 CA ASN A 15 -3.878 7.256 -1.839 1.00 0.00 C ATOM 181 C ASN A 15 -2.638 7.454 -0.942 1.00 0.00 C ATOM 182 O ASN A 15 -2.778 7.972 0.166 1.00 0.00 O ATOM 183 CB ASN A 15 -3.817 8.185 -3.053 1.00 0.00 C ATOM 184 CG ASN A 15 -2.928 7.635 -4.153 1.00 0.00 C ATOM 185 OD1 ASN A 15 -1.874 7.063 -3.885 1.00 0.00 O ATOM 186 ND2 ASN A 15 -3.351 7.804 -5.400 1.00 0.00 N ATOM 0 H ASN A 15 -5.217 8.489 -0.775 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.910 6.235 -2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.823 8.336 -3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.446 9.162 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.794 7.453 -6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.233 8.285 -5.579 1.00 0.00 H new ATOM 193 N SER A 16 -1.437 7.008 -1.360 1.00 0.00 N ATOM 194 CA SER A 16 -0.275 7.125 -0.515 1.00 0.00 C ATOM 195 C SER A 16 0.490 8.446 -0.764 1.00 0.00 C ATOM 196 O SER A 16 1.544 8.648 -0.169 1.00 0.00 O ATOM 197 CB SER A 16 0.632 5.854 -0.679 1.00 0.00 C ATOM 198 OG SER A 16 1.503 5.698 0.430 1.00 0.00 O ATOM 0 H SER A 16 -1.266 6.573 -2.267 1.00 0.00 H new ATOM 0 HA SER A 16 -0.600 7.170 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.006 4.968 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.217 5.937 -1.595 1.00 0.00 H new ATOM 0 HG SER A 16 2.055 4.898 0.302 1.00 0.00 H new ATOM 204 N HIS A 17 -0.038 9.356 -1.624 1.00 0.00 N ATOM 205 CA HIS A 17 0.632 10.639 -1.902 1.00 0.00 C ATOM 206 C HIS A 17 -0.345 11.742 -2.342 1.00 0.00 C ATOM 207 O HIS A 17 0.057 12.667 -3.047 1.00 0.00 O ATOM 208 CB HIS A 17 1.710 10.476 -2.999 1.00 0.00 C ATOM 209 CG HIS A 17 1.188 10.595 -4.400 1.00 0.00 C ATOM 210 ND1 HIS A 17 0.032 9.980 -4.831 1.00 0.00 N ATOM 211 CD2 HIS A 17 1.678 11.266 -5.471 1.00 0.00 C ATOM 212 CE1 HIS A 17 -0.166 10.265 -6.106 1.00 0.00 C ATOM 213 NE2 HIS A 17 0.817 11.043 -6.517 1.00 0.00 N ATOM 0 H HIS A 17 -0.915 9.221 -2.128 1.00 0.00 H new ATOM 0 HA HIS A 17 1.091 10.941 -0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.483 11.229 -2.847 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.186 9.502 -2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.577 11.864 -5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.992 9.920 -6.709 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.921 11.418 -7.460 1.00 0.00 H new ATOM 222 N ARG A 18 -1.616 11.658 -1.950 1.00 0.00 N ATOM 223 CA ARG A 18 -2.585 12.685 -2.359 1.00 0.00 C ATOM 224 C ARG A 18 -3.542 13.084 -1.232 1.00 0.00 C ATOM 225 O ARG A 18 -4.532 13.775 -1.473 1.00 0.00 O ATOM 226 CB ARG A 18 -3.376 12.202 -3.583 1.00 0.00 C ATOM 227 CG ARG A 18 -4.674 11.478 -3.249 1.00 0.00 C ATOM 228 CD ARG A 18 -5.272 10.815 -4.480 1.00 0.00 C ATOM 229 NE ARG A 18 -5.263 11.703 -5.639 1.00 0.00 N ATOM 230 CZ ARG A 18 -6.062 12.759 -5.771 1.00 0.00 C ATOM 231 NH1 ARG A 18 -6.931 13.065 -4.816 1.00 0.00 N ATOM 232 NH2 ARG A 18 -5.992 13.511 -6.861 1.00 0.00 N ATOM 0 H ARG A 18 -1.996 10.913 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.015 13.578 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.605 13.061 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.743 11.536 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.486 10.725 -2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.390 12.186 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.711 9.910 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.296 10.509 -4.266 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.605 11.502 -6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.989 12.490 -3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.541 13.876 -4.922 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.326 13.280 -7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.604 14.320 -6.962 1.00 0.00 H new ATOM 246 N ASP A 19 -3.240 12.657 -0.014 1.00 0.00 N ATOM 247 CA ASP A 19 -4.077 12.975 1.151 1.00 0.00 C ATOM 248 C ASP A 19 -3.317 12.792 2.456 1.00 0.00 C ATOM 249 O ASP A 19 -3.015 13.764 3.148 1.00 0.00 O ATOM 250 CB ASP A 19 -5.364 12.141 1.156 1.00 0.00 C ATOM 251 CG ASP A 19 -6.145 12.245 -0.139 1.00 0.00 C ATOM 252 OD1 ASP A 19 -6.747 13.311 -0.385 1.00 0.00 O ATOM 253 OD2 ASP A 19 -6.157 11.259 -0.907 1.00 0.00 O ATOM 0 H ASP A 19 -2.421 12.088 0.201 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.352 14.027 1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.112 11.096 1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.997 12.465 1.982 1.00 0.00 H new ATOM 258 N LYS A 20 -3.012 11.554 2.789 1.00 0.00 N ATOM 259 CA LYS A 20 -2.284 11.245 4.013 1.00 0.00 C ATOM 260 C LYS A 20 -3.127 11.538 5.263 1.00 0.00 C ATOM 261 O LYS A 20 -2.608 11.530 6.379 1.00 0.00 O ATOM 262 CB LYS A 20 -0.961 12.038 4.035 1.00 0.00 C ATOM 263 CG LYS A 20 -0.867 13.096 5.133 1.00 0.00 C ATOM 264 CD LYS A 20 0.237 14.104 4.850 1.00 0.00 C ATOM 265 CE LYS A 20 -0.123 15.485 5.378 1.00 0.00 C ATOM 266 NZ LYS A 20 0.826 15.943 6.431 1.00 0.00 N ATOM 0 H LYS A 20 -3.257 10.738 2.228 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.062 10.178 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.135 11.337 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.829 12.525 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.821 13.616 5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.680 12.611 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.166 13.767 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.415 14.159 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.124 16.199 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.134 15.466 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.546 16.887 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.808 15.275 7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.787 15.986 6.037 1.00 0.00 H new ATOM 280 N ALA A 21 -4.430 11.774 5.083 1.00 0.00 N ATOM 281 CA ALA A 21 -5.311 12.038 6.221 1.00 0.00 C ATOM 282 C ALA A 21 -6.298 10.886 6.476 1.00 0.00 C ATOM 283 O ALA A 21 -7.322 11.085 7.128 1.00 0.00 O ATOM 284 CB ALA A 21 -6.068 13.339 6.002 1.00 0.00 C ATOM 0 H ALA A 21 -4.892 11.787 4.174 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.682 12.125 7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.721 13.528 6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.358 14.160 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.667 13.263 5.095 1.00 0.00 H new ATOM 290 N LEU A 22 -6.000 9.684 5.963 1.00 0.00 N ATOM 291 CA LEU A 22 -6.893 8.529 6.155 1.00 0.00 C ATOM 292 C LEU A 22 -6.156 7.379 6.947 1.00 0.00 C ATOM 293 O LEU A 22 -5.719 7.665 8.063 1.00 0.00 O ATOM 294 CB LEU A 22 -7.574 8.163 4.799 1.00 0.00 C ATOM 295 CG LEU A 22 -8.400 9.296 4.182 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.527 9.717 5.112 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.532 10.478 3.840 1.00 0.00 C ATOM 0 H LEU A 22 -5.160 9.486 5.419 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.732 8.764 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.804 7.862 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.221 7.299 4.952 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.839 8.918 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.098 10.523 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.183 8.867 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.109 10.064 6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.146 11.266 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.052 10.851 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.769 10.174 3.123 1.00 0.00 H new ATOM 309 N HIS A 23 -6.005 6.105 6.479 1.00 0.00 N ATOM 310 CA HIS A 23 -5.332 5.094 7.297 1.00 0.00 C ATOM 311 C HIS A 23 -4.131 4.474 6.540 1.00 0.00 C ATOM 312 O HIS A 23 -4.250 4.200 5.347 1.00 0.00 O ATOM 313 CB HIS A 23 -6.345 4.005 7.645 1.00 0.00 C ATOM 314 CG HIS A 23 -6.264 3.529 9.063 1.00 0.00 C ATOM 315 ND1 HIS A 23 -7.380 3.258 9.828 1.00 0.00 N ATOM 316 CD2 HIS A 23 -5.195 3.269 9.852 1.00 0.00 C ATOM 317 CE1 HIS A 23 -7.000 2.853 11.027 1.00 0.00 C ATOM 318 NE2 HIS A 23 -5.682 2.850 11.067 1.00 0.00 N ATOM 0 H HIS A 23 -6.333 5.778 5.570 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.948 5.562 8.203 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.350 4.384 7.456 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.194 3.156 6.978 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.155 3.372 9.578 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.657 2.572 11.837 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.115 2.580 11.871 1.00 0.00 H new ATOM 327 N PHE A 24 -2.972 4.247 7.203 1.00 0.00 N ATOM 328 CA PHE A 24 -1.822 3.666 6.512 1.00 0.00 C ATOM 329 C PHE A 24 -1.222 2.450 7.286 1.00 0.00 C ATOM 330 O PHE A 24 -0.711 2.635 8.391 1.00 0.00 O ATOM 331 CB PHE A 24 -0.754 4.752 6.310 1.00 0.00 C ATOM 332 CG PHE A 24 -1.247 5.886 5.446 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.244 6.731 5.903 1.00 0.00 C ATOM 334 CD2 PHE A 24 -0.748 6.086 4.162 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.727 7.751 5.103 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.234 7.092 3.361 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.220 7.924 3.827 1.00 0.00 C ATOM 0 H PHE A 24 -2.821 4.455 8.190 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.160 3.290 5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.449 5.144 7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.131 4.308 5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.649 6.592 6.895 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.033 5.441 3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.498 8.411 5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.839 7.227 2.365 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.601 8.715 3.198 1.00 0.00 H new ATOM 347 N TYR A 25 -1.252 1.214 6.718 1.00 0.00 N ATOM 348 CA TYR A 25 -0.676 0.043 7.394 1.00 0.00 C ATOM 349 C TYR A 25 0.830 -0.030 7.088 1.00 0.00 C ATOM 350 O TYR A 25 1.270 0.537 6.095 1.00 0.00 O ATOM 351 CB TYR A 25 -1.363 -1.268 6.965 1.00 0.00 C ATOM 352 CG TYR A 25 -2.871 -1.245 7.100 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.657 -0.413 6.308 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.511 -2.061 8.024 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.034 -0.399 6.435 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.886 -2.053 8.157 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.643 -1.220 7.360 1.00 0.00 C ATOM 358 OH TYR A 25 -7.013 -1.208 7.489 1.00 0.00 O ATOM 0 H TYR A 25 -1.665 1.015 5.807 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.837 0.159 8.466 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.104 -1.479 5.927 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.967 -2.087 7.565 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.184 0.232 5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.922 -2.714 8.651 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.630 0.252 5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.365 -2.695 8.881 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.282 -1.845 8.184 1.00 0.00 H new ATOM 368 N THR A 26 1.639 -0.690 7.933 1.00 0.00 N ATOM 369 CA THR A 26 3.083 -0.744 7.698 1.00 0.00 C ATOM 370 C THR A 26 3.496 -2.105 7.130 1.00 0.00 C ATOM 371 O THR A 26 2.651 -2.980 6.937 1.00 0.00 O ATOM 372 CB THR A 26 3.865 -0.423 8.982 1.00 0.00 C ATOM 373 OG1 THR A 26 4.429 -1.597 9.541 1.00 0.00 O ATOM 374 CG2 THR A 26 3.020 0.231 10.058 1.00 0.00 C ATOM 0 H THR A 26 1.322 -1.183 8.768 1.00 0.00 H new ATOM 0 HA THR A 26 3.329 0.017 6.958 1.00 0.00 H new ATOM 0 HB THR A 26 4.639 0.279 8.671 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.923 -1.367 10.356 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.637 0.429 10.935 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.613 1.169 9.681 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.202 -0.435 10.333 1.00 0.00 H new ATOM 382 N PHE A 27 4.770 -2.239 6.737 1.00 0.00 N ATOM 383 CA PHE A 27 5.215 -3.446 6.054 1.00 0.00 C ATOM 384 C PHE A 27 5.890 -4.554 6.889 1.00 0.00 C ATOM 385 O PHE A 27 6.629 -4.268 7.830 1.00 0.00 O ATOM 386 CB PHE A 27 6.217 -3.048 4.987 1.00 0.00 C ATOM 387 CG PHE A 27 5.596 -2.724 3.676 1.00 0.00 C ATOM 388 CD1 PHE A 27 4.361 -2.110 3.624 1.00 0.00 C ATOM 389 CD2 PHE A 27 6.223 -3.076 2.499 1.00 0.00 C ATOM 390 CE1 PHE A 27 3.766 -1.837 2.419 1.00 0.00 C ATOM 391 CE2 PHE A 27 5.641 -2.826 1.302 1.00 0.00 C ATOM 392 CZ PHE A 27 4.406 -2.196 1.242 1.00 0.00 C ATOM 0 H PHE A 27 5.495 -1.536 6.880 1.00 0.00 H new ATOM 0 HA PHE A 27 4.284 -3.884 5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.781 -2.183 5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.931 -3.860 4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.858 -1.842 4.541 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.190 -3.557 2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.805 -1.345 2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.140 -3.118 0.390 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.947 -1.987 0.287 1.00 0.00 H new ATOM 402 N PRO A 28 5.673 -5.857 6.500 1.00 0.00 N ATOM 403 CA PRO A 28 6.300 -7.022 7.161 1.00 0.00 C ATOM 404 C PRO A 28 7.787 -6.775 7.484 1.00 0.00 C ATOM 405 O PRO A 28 8.342 -5.745 7.103 1.00 0.00 O ATOM 406 CB PRO A 28 6.207 -8.083 6.043 1.00 0.00 C ATOM 407 CG PRO A 28 4.901 -7.801 5.417 1.00 0.00 C ATOM 408 CD PRO A 28 4.761 -6.312 5.404 1.00 0.00 C ATOM 0 HA PRO A 28 5.827 -7.279 8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.025 -7.988 5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.251 -9.095 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.858 -8.205 4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.091 -8.264 5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.052 -5.891 4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.731 -6.006 5.588 1.00 0.00 H new ATOM 416 N LYS A 29 8.433 -7.714 8.188 1.00 0.00 N ATOM 417 CA LYS A 29 9.847 -7.562 8.550 1.00 0.00 C ATOM 418 C LYS A 29 10.766 -8.088 7.454 1.00 0.00 C ATOM 419 O LYS A 29 11.943 -7.731 7.387 1.00 0.00 O ATOM 420 CB LYS A 29 10.168 -8.291 9.862 1.00 0.00 C ATOM 421 CG LYS A 29 9.188 -9.392 10.237 1.00 0.00 C ATOM 422 CD LYS A 29 9.388 -10.632 9.383 1.00 0.00 C ATOM 423 CE LYS A 29 10.735 -11.286 9.655 1.00 0.00 C ATOM 424 NZ LYS A 29 11.694 -11.069 8.535 1.00 0.00 N ATOM 0 H LYS A 29 8.003 -8.579 8.515 1.00 0.00 H new ATOM 0 HA LYS A 29 10.022 -6.494 8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.166 -8.723 9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.197 -7.560 10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.314 -9.649 11.289 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.168 -9.028 10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.589 -11.346 9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.319 -10.364 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.155 -10.882 10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.594 -12.356 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.441 -11.791 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.190 -11.140 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.121 -10.124 8.621 1.00 0.00 H new ATOM 438 N ASP A 30 10.223 -8.944 6.608 1.00 0.00 N ATOM 439 CA ASP A 30 10.990 -9.539 5.512 1.00 0.00 C ATOM 440 C ASP A 30 11.063 -8.561 4.331 1.00 0.00 C ATOM 441 O ASP A 30 10.040 -8.220 3.738 1.00 0.00 O ATOM 442 CB ASP A 30 10.334 -10.868 5.063 1.00 0.00 C ATOM 443 CG ASP A 30 9.127 -11.260 5.896 1.00 0.00 C ATOM 444 OD1 ASP A 30 8.144 -10.489 5.916 1.00 0.00 O ATOM 445 OD2 ASP A 30 9.165 -12.337 6.528 1.00 0.00 O ATOM 0 H ASP A 30 9.250 -9.248 6.653 1.00 0.00 H new ATOM 0 HA ASP A 30 12.001 -9.747 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.032 -10.780 4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.075 -11.665 5.114 1.00 0.00 H new ATOM 450 N ALA A 31 12.279 -8.085 4.015 1.00 0.00 N ATOM 451 CA ALA A 31 12.478 -7.124 2.939 1.00 0.00 C ATOM 452 C ALA A 31 11.643 -7.432 1.659 1.00 0.00 C ATOM 453 O ALA A 31 10.738 -6.672 1.320 1.00 0.00 O ATOM 454 CB ALA A 31 13.980 -6.971 2.656 1.00 0.00 C ATOM 0 H ALA A 31 13.136 -8.357 4.497 1.00 0.00 H new ATOM 0 HA ALA A 31 12.090 -6.163 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.127 -6.252 1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.485 -6.618 3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.395 -7.935 2.362 1.00 0.00 H new ATOM 460 N GLU A 32 11.920 -8.527 0.941 1.00 0.00 N ATOM 461 CA GLU A 32 11.167 -8.838 -0.290 1.00 0.00 C ATOM 462 C GLU A 32 9.679 -8.862 -0.090 1.00 0.00 C ATOM 463 O GLU A 32 9.000 -8.062 -0.735 1.00 0.00 O ATOM 464 CB GLU A 32 11.673 -10.134 -0.939 1.00 0.00 C ATOM 465 CG GLU A 32 10.902 -10.542 -2.185 1.00 0.00 C ATOM 466 CD GLU A 32 9.875 -11.620 -1.907 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.502 -11.797 -0.728 1.00 0.00 O ATOM 468 OE2 GLU A 32 9.442 -12.291 -2.868 1.00 0.00 O ATOM 0 H GLU A 32 12.645 -9.204 1.181 1.00 0.00 H new ATOM 0 HA GLU A 32 11.359 -8.016 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.725 -10.012 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.616 -10.941 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.402 -9.667 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.602 -10.898 -2.941 1.00 0.00 H new ATOM 475 N LEU A 33 9.122 -9.719 0.771 1.00 0.00 N ATOM 476 CA LEU A 33 7.686 -9.681 0.924 1.00 0.00 C ATOM 477 C LEU A 33 7.222 -8.231 0.864 1.00 0.00 C ATOM 478 O LEU A 33 6.223 -7.888 0.235 1.00 0.00 O ATOM 479 CB LEU A 33 7.247 -10.303 2.253 1.00 0.00 C ATOM 480 CG LEU A 33 5.783 -10.738 2.327 1.00 0.00 C ATOM 481 CD1 LEU A 33 5.024 -10.424 1.049 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.694 -12.212 2.619 1.00 0.00 C ATOM 0 H LEU A 33 9.619 -10.406 1.338 1.00 0.00 H new ATOM 0 HA LEU A 33 7.236 -10.261 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.876 -11.171 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.434 -9.583 3.050 1.00 0.00 H new ATOM 0 HG LEU A 33 5.320 -10.171 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.989 -10.752 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.048 -9.350 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.489 -10.945 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.647 -12.510 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.193 -12.771 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.178 -12.424 3.572 1.00 0.00 H new ATOM 494 N ARG A 34 8.026 -7.378 1.466 1.00 0.00 N ATOM 495 CA ARG A 34 7.758 -5.952 1.492 1.00 0.00 C ATOM 496 C ARG A 34 7.627 -5.431 0.091 1.00 0.00 C ATOM 497 O ARG A 34 6.564 -4.950 -0.314 1.00 0.00 O ATOM 498 CB ARG A 34 8.866 -5.197 2.271 1.00 0.00 C ATOM 499 CG ARG A 34 9.590 -4.090 1.502 1.00 0.00 C ATOM 500 CD ARG A 34 10.923 -3.752 2.140 1.00 0.00 C ATOM 501 NE ARG A 34 10.776 -2.856 3.288 1.00 0.00 N ATOM 502 CZ ARG A 34 10.583 -3.268 4.541 1.00 0.00 C ATOM 503 NH1 ARG A 34 10.509 -4.561 4.823 1.00 0.00 N ATOM 504 NH2 ARG A 34 10.464 -2.377 5.517 1.00 0.00 N ATOM 0 H ARG A 34 8.881 -7.651 1.950 1.00 0.00 H new ATOM 0 HA ARG A 34 6.816 -5.780 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.421 -4.760 3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.606 -5.923 2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.748 -4.405 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.964 -3.198 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.414 -4.671 2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.571 -3.285 1.398 1.00 0.00 H new ATOM 0 HE ARG A 34 10.824 -1.851 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.600 -5.252 4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.361 -4.865 5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.520 -1.380 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.316 -2.689 6.477 1.00 0.00 H new ATOM 518 N ARG A 35 8.704 -5.557 -0.658 1.00 0.00 N ATOM 519 CA ARG A 35 8.696 -5.088 -2.014 1.00 0.00 C ATOM 520 C ARG A 35 7.495 -5.652 -2.735 1.00 0.00 C ATOM 521 O ARG A 35 6.886 -4.968 -3.554 1.00 0.00 O ATOM 522 CB ARG A 35 10.026 -5.371 -2.756 1.00 0.00 C ATOM 523 CG ARG A 35 10.309 -6.821 -3.148 1.00 0.00 C ATOM 524 CD ARG A 35 9.519 -7.254 -4.377 1.00 0.00 C ATOM 525 NE ARG A 35 9.877 -8.603 -4.811 1.00 0.00 N ATOM 526 CZ ARG A 35 10.966 -8.890 -5.521 1.00 0.00 C ATOM 527 NH1 ARG A 35 11.811 -7.929 -5.871 1.00 0.00 N ATOM 528 NH2 ARG A 35 11.212 -10.144 -5.880 1.00 0.00 N ATOM 0 H ARG A 35 9.581 -5.976 -0.349 1.00 0.00 H new ATOM 0 HA ARG A 35 8.611 -4.001 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.043 -4.766 -3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.845 -5.025 -2.126 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.375 -6.941 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.063 -7.475 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.453 -7.216 -4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.700 -6.551 -5.190 1.00 0.00 H new ATOM 0 HE ARG A 35 9.256 -9.370 -4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.628 -6.964 -5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.644 -8.155 -6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.567 -10.887 -5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.046 -10.364 -6.424 1.00 0.00 H new ATOM 542 N LEU A 36 7.080 -6.873 -2.380 1.00 0.00 N ATOM 543 CA LEU A 36 5.892 -7.421 -3.046 1.00 0.00 C ATOM 544 C LEU A 36 4.725 -6.487 -2.877 1.00 0.00 C ATOM 545 O LEU A 36 4.101 -6.073 -3.861 1.00 0.00 O ATOM 546 CB LEU A 36 5.542 -8.835 -2.561 1.00 0.00 C ATOM 547 CG LEU A 36 6.321 -9.958 -3.243 1.00 0.00 C ATOM 548 CD1 LEU A 36 6.391 -11.185 -2.347 1.00 0.00 C ATOM 549 CD2 LEU A 36 5.686 -10.307 -4.582 1.00 0.00 C ATOM 0 H LEU A 36 7.517 -7.471 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 36 6.126 -7.509 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.719 -8.890 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.477 -9.004 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 36 7.338 -9.611 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.950 -11.973 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.891 -10.926 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.382 -11.537 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.253 -11.109 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.658 -10.634 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.692 -9.429 -5.227 1.00 0.00 H new ATOM 561 N TRP A 37 4.457 -6.094 -1.652 1.00 0.00 N ATOM 562 CA TRP A 37 3.375 -5.183 -1.414 1.00 0.00 C ATOM 563 C TRP A 37 3.560 -3.938 -2.242 1.00 0.00 C ATOM 564 O TRP A 37 2.590 -3.465 -2.856 1.00 0.00 O ATOM 565 CB TRP A 37 3.304 -4.831 0.056 1.00 0.00 C ATOM 566 CG TRP A 37 2.681 -5.908 0.868 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.698 -7.241 0.604 1.00 0.00 C ATOM 568 CD2 TRP A 37 1.944 -5.736 2.068 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.017 -7.921 1.601 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.539 -7.002 2.511 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.595 -4.620 2.806 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.791 -7.165 3.683 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.866 -4.778 3.954 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.471 -6.031 4.387 1.00 0.00 C ATOM 0 H TRP A 37 4.968 -6.389 -0.820 1.00 0.00 H new ATOM 0 HA TRP A 37 2.439 -5.661 -1.703 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.309 -4.635 0.429 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.733 -3.911 0.179 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.170 -7.700 -0.252 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.891 -8.932 1.653 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.894 -3.635 2.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.479 -8.143 4.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.594 -3.908 4.533 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.101 -6.119 5.299 1.00 0.00 H new ATOM 585 N LEU A 38 4.818 -3.440 -2.330 1.00 0.00 N ATOM 586 CA LEU A 38 5.074 -2.274 -3.143 1.00 0.00 C ATOM 587 C LEU A 38 4.179 -2.383 -4.360 1.00 0.00 C ATOM 588 O LEU A 38 3.290 -1.546 -4.566 1.00 0.00 O ATOM 589 CB LEU A 38 6.550 -2.209 -3.519 1.00 0.00 C ATOM 590 CG LEU A 38 7.366 -1.340 -2.569 1.00 0.00 C ATOM 591 CD1 LEU A 38 6.856 0.093 -2.621 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.282 -1.880 -1.154 1.00 0.00 C ATOM 0 H LEU A 38 5.634 -3.828 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 38 4.853 -1.352 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.963 -3.218 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.645 -1.819 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 38 8.411 -1.357 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.441 0.712 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.953 0.477 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.808 0.117 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.870 -1.248 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.242 -1.883 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.673 -2.897 -1.129 1.00 0.00 H new ATOM 604 N LYS A 39 4.330 -3.496 -5.106 1.00 0.00 N ATOM 605 CA LYS A 39 3.517 -3.744 -6.256 1.00 0.00 C ATOM 606 C LYS A 39 2.063 -3.269 -6.068 1.00 0.00 C ATOM 607 O LYS A 39 1.631 -2.306 -6.710 1.00 0.00 O ATOM 608 CB LYS A 39 3.609 -5.254 -6.586 1.00 0.00 C ATOM 609 CG LYS A 39 4.691 -5.608 -7.588 1.00 0.00 C ATOM 610 CD LYS A 39 6.026 -4.987 -7.213 1.00 0.00 C ATOM 611 CE LYS A 39 7.124 -5.415 -8.171 1.00 0.00 C ATOM 612 NZ LYS A 39 7.388 -6.879 -8.094 1.00 0.00 N ATOM 0 H LYS A 39 5.017 -4.224 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 39 3.890 -3.161 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.790 -5.805 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.647 -5.589 -6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.796 -6.692 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.395 -5.265 -8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.938 -3.901 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.293 -5.279 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.841 -5.150 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.039 -4.868 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.293 -7.093 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.433 -7.172 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.623 -7.395 -8.573 1.00 0.00 H new ATOM 626 N ASN A 40 1.330 -3.912 -5.168 1.00 0.00 N ATOM 627 CA ASN A 40 -0.072 -3.579 -4.919 1.00 0.00 C ATOM 628 C ASN A 40 -0.287 -2.102 -4.623 1.00 0.00 C ATOM 629 O ASN A 40 -1.185 -1.465 -5.174 1.00 0.00 O ATOM 630 CB ASN A 40 -0.648 -4.438 -3.764 1.00 0.00 C ATOM 631 CG ASN A 40 0.268 -5.556 -3.288 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.199 -5.963 -3.982 1.00 0.00 O ATOM 633 ND2 ASN A 40 -0.012 -6.071 -2.098 1.00 0.00 N ATOM 0 H ASN A 40 1.685 -4.675 -4.592 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.607 -3.806 -5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.872 -3.785 -2.920 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.593 -4.874 -4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.554 -6.834 -1.726 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.793 -5.704 -1.555 1.00 0.00 H new ATOM 640 N VAL A 41 0.514 -1.588 -3.728 1.00 0.00 N ATOM 641 CA VAL A 41 0.421 -0.200 -3.292 1.00 0.00 C ATOM 642 C VAL A 41 1.057 0.820 -4.230 1.00 0.00 C ATOM 643 O VAL A 41 0.761 1.999 -4.113 1.00 0.00 O ATOM 644 CB VAL A 41 0.932 0.019 -1.847 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.277 0.727 -1.814 1.00 0.00 C ATOM 646 CG2 VAL A 41 -0.092 0.825 -1.065 1.00 0.00 C ATOM 0 H VAL A 41 1.258 -2.116 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.652 -0.012 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 41 1.069 -0.962 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.594 0.858 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.016 0.129 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.187 1.702 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.267 0.980 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.241 1.791 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.038 0.283 -1.038 1.00 0.00 H new ATOM 656 N SER A 42 1.979 0.411 -5.102 1.00 0.00 N ATOM 657 CA SER A 42 2.665 1.393 -5.962 1.00 0.00 C ATOM 658 C SER A 42 3.928 0.743 -6.618 1.00 0.00 C ATOM 659 O SER A 42 3.751 0.044 -7.607 1.00 0.00 O ATOM 660 CB SER A 42 2.962 2.704 -5.154 1.00 0.00 C ATOM 661 OG SER A 42 4.322 3.074 -5.252 1.00 0.00 O ATOM 0 H SER A 42 2.266 -0.559 -5.235 1.00 0.00 H new ATOM 0 HA SER A 42 2.019 1.691 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.335 3.514 -5.528 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.699 2.555 -4.107 1.00 0.00 H new ATOM 0 HG SER A 42 4.396 4.051 -5.248 1.00 0.00 H new ATOM 667 N ARG A 43 5.187 0.915 -6.089 1.00 0.00 N ATOM 668 CA ARG A 43 6.374 0.261 -6.688 1.00 0.00 C ATOM 669 C ARG A 43 6.981 1.034 -7.875 1.00 0.00 C ATOM 670 O ARG A 43 7.225 0.462 -8.936 1.00 0.00 O ATOM 671 CB ARG A 43 6.059 -1.198 -7.097 1.00 0.00 C ATOM 672 CG ARG A 43 5.488 -1.378 -8.505 1.00 0.00 C ATOM 673 CD ARG A 43 6.418 -2.189 -9.395 1.00 0.00 C ATOM 674 NE ARG A 43 5.853 -2.399 -10.726 1.00 0.00 N ATOM 675 CZ ARG A 43 6.306 -3.303 -11.593 1.00 0.00 C ATOM 676 NH1 ARG A 43 7.340 -4.074 -11.280 1.00 0.00 N ATOM 677 NH2 ARG A 43 5.727 -3.433 -12.779 1.00 0.00 N ATOM 0 H ARG A 43 5.389 1.489 -5.270 1.00 0.00 H new ATOM 0 HA ARG A 43 7.133 0.261 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.974 -1.785 -7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.350 -1.613 -6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.520 -1.875 -8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.316 -0.400 -8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.375 -1.675 -9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.617 -3.154 -8.929 1.00 0.00 H new ATOM 0 HE ARG A 43 5.064 -1.818 -11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.792 -3.976 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.682 -4.764 -11.948 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.935 -2.841 -13.027 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.074 -4.125 -13.443 1.00 0.00 H new ATOM 691 N ALA A 44 7.261 2.321 -7.692 1.00 0.00 N ATOM 692 CA ALA A 44 7.870 3.115 -8.757 1.00 0.00 C ATOM 693 C ALA A 44 9.320 2.654 -9.035 1.00 0.00 C ATOM 694 O ALA A 44 10.259 3.397 -8.743 1.00 0.00 O ATOM 695 CB ALA A 44 7.850 4.597 -8.368 1.00 0.00 C ATOM 0 H ALA A 44 7.079 2.832 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 44 7.293 2.972 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.305 5.188 -9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.820 4.920 -8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.412 4.738 -7.445 1.00 0.00 H new ATOM 701 N GLY A 45 9.529 1.431 -9.589 1.00 0.00 N ATOM 702 CA GLY A 45 10.890 0.976 -9.844 1.00 0.00 C ATOM 703 C GLY A 45 11.114 0.482 -11.267 1.00 0.00 C ATOM 704 O GLY A 45 11.802 1.138 -12.048 1.00 0.00 O ATOM 0 H GLY A 45 8.793 0.776 -9.853 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.581 1.794 -9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.132 0.173 -9.148 1.00 0.00 H new ATOM 708 N VAL A 46 10.542 -0.669 -11.614 1.00 0.00 N ATOM 709 CA VAL A 46 10.697 -1.225 -12.955 1.00 0.00 C ATOM 710 C VAL A 46 10.063 -0.326 -14.013 1.00 0.00 C ATOM 711 O VAL A 46 10.216 -0.568 -15.210 1.00 0.00 O ATOM 712 CB VAL A 46 10.062 -2.626 -13.083 1.00 0.00 C ATOM 713 CG1 VAL A 46 10.621 -3.357 -14.294 1.00 0.00 C ATOM 714 CG2 VAL A 46 10.273 -3.446 -11.821 1.00 0.00 C ATOM 0 H VAL A 46 9.969 -1.233 -10.987 1.00 0.00 H new ATOM 0 HA VAL A 46 11.772 -1.297 -13.119 1.00 0.00 H new ATOM 0 HB VAL A 46 8.989 -2.494 -13.220 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.162 -4.343 -14.368 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.402 -2.786 -15.196 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.700 -3.467 -14.187 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.814 -4.427 -11.944 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.341 -3.565 -11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.815 -2.935 -10.974 1.00 0.00 H new ATOM 724 N SER A 47 9.332 0.698 -13.578 1.00 0.00 N ATOM 725 CA SER A 47 8.672 1.593 -14.508 1.00 0.00 C ATOM 726 C SER A 47 8.142 2.843 -13.765 1.00 0.00 C ATOM 727 O SER A 47 8.692 3.929 -13.944 1.00 0.00 O ATOM 728 CB SER A 47 7.530 0.835 -15.191 1.00 0.00 C ATOM 729 OG SER A 47 6.266 1.412 -14.906 1.00 0.00 O ATOM 0 H SER A 47 9.186 0.922 -12.594 1.00 0.00 H new ATOM 0 HA SER A 47 9.380 1.934 -15.264 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.692 0.830 -16.269 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.537 -0.204 -14.863 1.00 0.00 H new ATOM 0 HG SER A 47 5.564 0.902 -15.361 1.00 0.00 H new ATOM 735 N GLY A 48 7.075 2.702 -12.916 1.00 0.00 N ATOM 736 CA GLY A 48 6.556 3.855 -12.194 1.00 0.00 C ATOM 737 C GLY A 48 6.504 5.118 -13.035 1.00 0.00 C ATOM 738 O GLY A 48 5.568 5.323 -13.808 1.00 0.00 O ATOM 0 H GLY A 48 6.589 1.824 -12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.554 3.627 -11.832 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.178 4.036 -11.318 1.00 0.00 H new ATOM 742 N CYS A 49 7.525 5.961 -12.884 1.00 0.00 N ATOM 743 CA CYS A 49 7.624 7.215 -13.630 1.00 0.00 C ATOM 744 C CYS A 49 6.775 8.320 -13.006 1.00 0.00 C ATOM 745 O CYS A 49 6.491 9.328 -13.655 1.00 0.00 O ATOM 746 CB CYS A 49 7.219 7.010 -15.094 1.00 0.00 C ATOM 747 SG CYS A 49 7.980 8.183 -16.241 1.00 0.00 S ATOM 0 H CYS A 49 8.303 5.795 -12.245 1.00 0.00 H new ATOM 0 HA CYS A 49 8.667 7.529 -13.587 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.487 5.997 -15.396 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.135 7.090 -15.175 1.00 0.00 H new ATOM 0 HG CYS A 49 7.579 7.929 -17.451 1.00 0.00 H new ATOM 753 N PHE A 50 6.378 8.148 -11.745 1.00 0.00 N ATOM 754 CA PHE A 50 5.578 9.164 -11.066 1.00 0.00 C ATOM 755 C PHE A 50 6.487 10.106 -10.257 1.00 0.00 C ATOM 756 O PHE A 50 6.671 11.262 -10.640 1.00 0.00 O ATOM 757 CB PHE A 50 4.536 8.536 -10.130 1.00 0.00 C ATOM 758 CG PHE A 50 4.141 7.129 -10.479 1.00 0.00 C ATOM 759 CD1 PHE A 50 3.203 6.878 -11.467 1.00 0.00 C ATOM 760 CD2 PHE A 50 4.699 6.056 -9.804 1.00 0.00 C ATOM 761 CE1 PHE A 50 2.830 5.582 -11.775 1.00 0.00 C ATOM 762 CE2 PHE A 50 4.331 4.761 -10.107 1.00 0.00 C ATOM 763 CZ PHE A 50 3.395 4.522 -11.093 1.00 0.00 C ATOM 0 H PHE A 50 6.594 7.326 -11.181 1.00 0.00 H new ATOM 0 HA PHE A 50 5.051 9.729 -11.835 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.929 8.546 -9.113 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.643 9.160 -10.133 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.758 7.703 -12.003 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.431 6.235 -9.031 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.098 5.399 -12.548 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.775 3.934 -9.573 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.105 3.509 -11.331 1.00 0.00 H new ATOM 773 N SER A 51 7.066 9.621 -9.133 1.00 0.00 N ATOM 774 CA SER A 51 7.943 10.463 -8.322 1.00 0.00 C ATOM 775 C SER A 51 8.911 9.625 -7.488 1.00 0.00 C ATOM 776 O SER A 51 9.472 10.110 -6.505 1.00 0.00 O ATOM 777 CB SER A 51 7.112 11.363 -7.405 1.00 0.00 C ATOM 778 OG SER A 51 6.388 10.598 -6.458 1.00 0.00 O ATOM 0 H SER A 51 6.939 8.672 -8.782 1.00 0.00 H new ATOM 0 HA SER A 51 8.530 11.081 -9.002 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.767 12.063 -6.887 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.420 11.957 -8.003 1.00 0.00 H new ATOM 0 HG SER A 51 5.867 11.197 -5.884 1.00 0.00 H new ATOM 784 N THR A 52 9.111 8.369 -7.887 1.00 0.00 N ATOM 785 CA THR A 52 10.018 7.458 -7.186 1.00 0.00 C ATOM 786 C THR A 52 9.502 7.089 -5.796 1.00 0.00 C ATOM 787 O THR A 52 9.350 5.909 -5.484 1.00 0.00 O ATOM 788 CB THR A 52 11.431 8.050 -7.091 1.00 0.00 C ATOM 789 OG1 THR A 52 11.521 9.271 -7.802 1.00 0.00 O ATOM 790 CG2 THR A 52 12.504 7.126 -7.637 1.00 0.00 C ATOM 0 H THR A 52 8.653 7.956 -8.699 1.00 0.00 H new ATOM 0 HA THR A 52 10.062 6.542 -7.775 1.00 0.00 H new ATOM 0 HB THR A 52 11.604 8.202 -6.026 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.107 9.987 -7.276 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.479 7.604 -7.540 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.500 6.192 -7.075 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.305 6.918 -8.688 1.00 0.00 H new ATOM 798 N PHE A 53 9.253 8.099 -4.968 1.00 0.00 N ATOM 799 CA PHE A 53 8.766 7.900 -3.597 1.00 0.00 C ATOM 800 C PHE A 53 9.378 6.646 -2.958 1.00 0.00 C ATOM 801 O PHE A 53 8.717 5.956 -2.189 1.00 0.00 O ATOM 802 CB PHE A 53 7.232 7.809 -3.571 1.00 0.00 C ATOM 803 CG PHE A 53 6.664 6.866 -4.588 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.927 5.508 -4.513 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.865 7.335 -5.617 1.00 0.00 C ATOM 806 CE1 PHE A 53 6.404 4.636 -5.441 1.00 0.00 C ATOM 807 CE2 PHE A 53 5.336 6.465 -6.551 1.00 0.00 C ATOM 808 CZ PHE A 53 5.605 5.113 -6.463 1.00 0.00 C ATOM 0 H PHE A 53 9.381 9.078 -5.223 1.00 0.00 H new ATOM 0 HA PHE A 53 9.079 8.765 -3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.913 7.493 -2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.816 8.802 -3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.550 5.129 -3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.653 8.391 -5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.618 3.580 -5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.713 6.842 -7.349 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.192 4.430 -7.191 1.00 0.00 H new ATOM 818 N GLN A 54 10.647 6.374 -3.298 1.00 0.00 N ATOM 819 CA GLN A 54 11.402 5.210 -2.787 1.00 0.00 C ATOM 820 C GLN A 54 10.667 4.460 -1.666 1.00 0.00 C ATOM 821 O GLN A 54 10.206 5.072 -0.704 1.00 0.00 O ATOM 822 CB GLN A 54 12.772 5.675 -2.283 1.00 0.00 C ATOM 823 CG GLN A 54 13.881 5.529 -3.312 1.00 0.00 C ATOM 824 CD GLN A 54 15.087 6.390 -2.996 1.00 0.00 C ATOM 825 OE1 GLN A 54 16.197 5.888 -2.828 1.00 0.00 O ATOM 826 NE2 GLN A 54 14.873 7.700 -2.915 1.00 0.00 N ATOM 0 H GLN A 54 11.185 6.957 -3.939 1.00 0.00 H new ATOM 0 HA GLN A 54 11.512 4.510 -3.615 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.703 6.720 -1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.036 5.103 -1.393 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.188 4.485 -3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.496 5.797 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.935 8.074 -3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.647 8.331 -2.706 1.00 0.00 H new ATOM 835 N PRO A 55 10.573 3.113 -1.756 1.00 0.00 N ATOM 836 CA PRO A 55 9.912 2.311 -0.726 1.00 0.00 C ATOM 837 C PRO A 55 10.743 2.250 0.544 1.00 0.00 C ATOM 838 O PRO A 55 10.207 2.115 1.643 1.00 0.00 O ATOM 839 CB PRO A 55 9.772 0.911 -1.342 1.00 0.00 C ATOM 840 CG PRO A 55 10.307 1.009 -2.742 1.00 0.00 C ATOM 841 CD PRO A 55 11.125 2.276 -2.830 1.00 0.00 C ATOM 0 HA PRO A 55 8.951 2.738 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.330 0.175 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.730 0.591 -1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.920 0.140 -2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.490 1.029 -3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.187 2.080 -2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.023 2.754 -3.804 1.00 0.00 H new ATOM 849 N THR A 56 12.061 2.372 0.386 1.00 0.00 N ATOM 850 CA THR A 56 12.968 2.355 1.526 1.00 0.00 C ATOM 851 C THR A 56 12.453 3.316 2.605 1.00 0.00 C ATOM 852 O THR A 56 12.414 2.959 3.782 1.00 0.00 O ATOM 853 CB THR A 56 14.375 2.769 1.088 1.00 0.00 C ATOM 854 OG1 THR A 56 14.658 2.286 -0.212 1.00 0.00 O ATOM 855 CG2 THR A 56 15.460 2.265 2.013 1.00 0.00 C ATOM 0 H THR A 56 12.520 2.483 -0.518 1.00 0.00 H new ATOM 0 HA THR A 56 13.011 1.344 1.932 1.00 0.00 H new ATOM 0 HB THR A 56 14.377 3.859 1.112 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.561 2.562 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.432 2.593 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.297 2.662 3.015 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.433 1.176 2.046 1.00 0.00 H new ATOM 863 N THR A 57 12.035 4.542 2.205 1.00 0.00 N ATOM 864 CA THR A 57 11.513 5.501 3.166 1.00 0.00 C ATOM 865 C THR A 57 10.426 4.856 4.017 1.00 0.00 C ATOM 866 O THR A 57 10.251 5.202 5.184 1.00 0.00 O ATOM 867 CB THR A 57 10.958 6.734 2.446 1.00 0.00 C ATOM 868 OG1 THR A 57 10.604 7.739 3.377 1.00 0.00 O ATOM 869 CG2 THR A 57 9.735 6.439 1.602 1.00 0.00 C ATOM 0 H THR A 57 12.054 4.871 1.240 1.00 0.00 H new ATOM 0 HA THR A 57 12.328 5.817 3.817 1.00 0.00 H new ATOM 0 HB THR A 57 11.760 7.068 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.253 8.519 2.899 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.395 7.356 1.121 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.988 5.702 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.941 6.046 2.237 1.00 0.00 H new ATOM 877 N GLY A 58 9.701 3.901 3.428 1.00 0.00 N ATOM 878 CA GLY A 58 8.654 3.221 4.165 1.00 0.00 C ATOM 879 C GLY A 58 7.303 3.201 3.442 1.00 0.00 C ATOM 880 O GLY A 58 6.413 3.961 3.826 1.00 0.00 O ATOM 0 H GLY A 58 9.822 3.592 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.967 2.195 4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.530 3.706 5.133 1.00 0.00 H new ATOM 884 N HIS A 59 7.102 2.344 2.418 1.00 0.00 N ATOM 885 CA HIS A 59 5.807 2.311 1.750 1.00 0.00 C ATOM 886 C HIS A 59 4.835 1.480 2.591 1.00 0.00 C ATOM 887 O HIS A 59 5.149 0.386 3.052 1.00 0.00 O ATOM 888 CB HIS A 59 5.907 1.780 0.309 1.00 0.00 C ATOM 889 CG HIS A 59 5.775 2.854 -0.729 1.00 0.00 C ATOM 890 ND1 HIS A 59 4.940 2.976 -1.804 1.00 0.00 N flip ATOM 891 CD2 HIS A 59 6.553 3.990 -0.722 1.00 0.00 C flip ATOM 892 CE1 HIS A 59 5.239 4.173 -2.405 1.00 0.00 C flip ATOM 893 NE2 HIS A 59 6.210 4.763 -1.731 1.00 0.00 N flip ATOM 0 H HIS A 59 7.798 1.693 2.055 1.00 0.00 H new ATOM 0 HA HIS A 59 5.432 3.331 1.666 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.865 1.276 0.181 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.130 1.033 0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.325 4.213 -0.000 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.758 4.569 -3.287 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.625 5.667 -1.955 1.00 0.00 H new ATOM 902 N ARG A 60 3.682 2.079 2.829 1.00 0.00 N ATOM 903 CA ARG A 60 2.610 1.536 3.666 1.00 0.00 C ATOM 904 C ARG A 60 1.376 1.192 2.786 1.00 0.00 C ATOM 905 O ARG A 60 1.370 1.508 1.596 1.00 0.00 O ATOM 906 CB ARG A 60 2.267 2.608 4.707 1.00 0.00 C ATOM 907 CG ARG A 60 1.645 3.842 4.088 1.00 0.00 C ATOM 908 CD ARG A 60 2.371 5.114 4.511 1.00 0.00 C ATOM 909 NE ARG A 60 2.297 5.344 5.954 1.00 0.00 N ATOM 910 CZ ARG A 60 3.270 5.037 6.813 1.00 0.00 C ATOM 911 NH1 ARG A 60 4.400 4.484 6.388 1.00 0.00 N ATOM 912 NH2 ARG A 60 3.110 5.289 8.106 1.00 0.00 N ATOM 0 H ARG A 60 3.451 2.990 2.434 1.00 0.00 H new ATOM 0 HA ARG A 60 2.920 0.617 4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.580 2.189 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.173 2.892 5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.668 3.755 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.597 3.907 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.416 5.050 4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.939 5.967 3.987 1.00 0.00 H new ATOM 0 HE ARG A 60 1.447 5.766 6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.531 4.290 5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.137 4.254 7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.246 5.716 8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.851 5.056 8.767 1.00 0.00 H new ATOM 926 N LEU A 61 0.347 0.539 3.351 1.00 0.00 N ATOM 927 CA LEU A 61 -0.856 0.158 2.592 1.00 0.00 C ATOM 928 C LEU A 61 -2.029 0.998 3.137 1.00 0.00 C ATOM 929 O LEU A 61 -1.917 1.509 4.251 1.00 0.00 O ATOM 930 CB LEU A 61 -1.180 -1.327 2.841 1.00 0.00 C ATOM 931 CG LEU A 61 -1.366 -2.264 1.637 1.00 0.00 C ATOM 932 CD1 LEU A 61 -2.824 -2.659 1.485 1.00 0.00 C ATOM 933 CD2 LEU A 61 -0.809 -1.675 0.361 1.00 0.00 C ATOM 0 H LEU A 61 0.324 0.263 4.333 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.697 0.324 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.381 -1.739 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.094 -1.369 3.434 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.790 -3.168 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.934 -3.322 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.157 -3.173 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.429 -1.765 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.964 -2.374 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.318 -0.737 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.258 -1.489 0.482 1.00 0.00 H new ATOM 945 N CYS A 62 -3.129 1.219 2.379 1.00 0.00 N ATOM 946 CA CYS A 62 -4.187 2.074 2.897 1.00 0.00 C ATOM 947 C CYS A 62 -5.607 1.414 2.919 1.00 0.00 C ATOM 948 O CYS A 62 -5.766 0.231 2.615 1.00 0.00 O ATOM 949 CB CYS A 62 -4.019 3.505 2.309 1.00 0.00 C ATOM 950 SG CYS A 62 -5.242 4.159 1.189 1.00 0.00 S ATOM 0 H CYS A 62 -3.291 0.831 1.450 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.079 2.208 3.973 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.948 4.195 3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.059 3.533 1.793 1.00 0.00 H new ATOM 955 N SER A 63 -6.571 2.174 3.440 1.00 0.00 N ATOM 956 CA SER A 63 -7.946 1.797 3.746 1.00 0.00 C ATOM 957 C SER A 63 -8.592 0.588 3.112 1.00 0.00 C ATOM 958 O SER A 63 -8.718 -0.468 3.734 1.00 0.00 O ATOM 959 CB SER A 63 -8.869 3.028 3.559 1.00 0.00 C ATOM 960 OG SER A 63 -9.111 3.675 4.796 1.00 0.00 O ATOM 0 H SER A 63 -6.392 3.150 3.677 1.00 0.00 H new ATOM 0 HA SER A 63 -7.836 1.451 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.409 3.729 2.862 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.815 2.714 3.118 1.00 0.00 H new ATOM 0 HG SER A 63 -8.532 4.462 4.872 1.00 0.00 H new ATOM 966 N VAL A 64 -9.180 0.826 1.988 1.00 0.00 N ATOM 967 CA VAL A 64 -10.059 -0.199 1.375 1.00 0.00 C ATOM 968 C VAL A 64 -9.453 -1.210 0.412 1.00 0.00 C ATOM 969 O VAL A 64 -10.154 -1.686 -0.485 1.00 0.00 O ATOM 970 CB VAL A 64 -11.274 0.444 0.691 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.071 1.280 1.681 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.828 1.271 -0.493 1.00 0.00 C ATOM 0 H VAL A 64 -9.092 1.693 1.459 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.323 -0.788 2.253 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.930 -0.346 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.927 1.726 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.421 0.645 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.437 2.069 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.698 1.722 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.152 2.056 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.312 0.632 -1.209 1.00 0.00 H new ATOM 982 N HIS A 65 -8.205 -1.591 0.588 1.00 0.00 N ATOM 983 CA HIS A 65 -7.635 -2.600 -0.300 1.00 0.00 C ATOM 984 C HIS A 65 -7.205 -3.827 0.499 1.00 0.00 C ATOM 985 O HIS A 65 -6.225 -4.487 0.168 1.00 0.00 O ATOM 986 CB HIS A 65 -6.485 -2.036 -1.146 1.00 0.00 C ATOM 987 CG HIS A 65 -6.041 -0.683 -0.733 1.00 0.00 C ATOM 988 ND1 HIS A 65 -6.912 0.263 -0.263 1.00 0.00 N ATOM 989 CD2 HIS A 65 -4.809 -0.158 -0.598 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.238 1.293 0.163 1.00 0.00 C ATOM 991 NE2 HIS A 65 -4.960 1.056 -0.009 1.00 0.00 N ATOM 0 H HIS A 65 -7.578 -1.236 1.310 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.410 -2.908 -1.002 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.637 -2.719 -1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.798 -2.002 -2.190 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.878 -0.615 -0.900 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.661 2.192 0.587 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.201 1.683 0.257 1.00 0.00 H new ATOM 999 N PHE A 66 -7.977 -4.136 1.552 1.00 0.00 N ATOM 1000 CA PHE A 66 -7.708 -5.289 2.402 1.00 0.00 C ATOM 1001 C PHE A 66 -8.952 -6.202 2.425 1.00 0.00 C ATOM 1002 O PHE A 66 -10.014 -5.783 1.966 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.364 -4.808 3.818 1.00 0.00 C ATOM 1004 CG PHE A 66 -5.892 -4.641 4.059 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.052 -5.744 4.072 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.351 -3.381 4.275 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -3.697 -5.594 4.295 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -3.996 -3.226 4.497 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.166 -4.338 4.507 1.00 0.00 C ATOM 0 H PHE A 66 -8.796 -3.595 1.830 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.862 -5.855 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.863 -3.856 4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.763 -5.520 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.461 -6.730 3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.995 -2.514 4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.053 -6.461 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.584 -2.242 4.662 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.106 -4.221 4.680 1.00 0.00 H new ATOM 1019 N GLN A 67 -8.853 -7.439 2.949 1.00 0.00 N ATOM 1020 CA GLN A 67 -10.012 -8.321 2.985 1.00 0.00 C ATOM 1021 C GLN A 67 -10.709 -8.261 4.387 1.00 0.00 C ATOM 1022 O GLN A 67 -10.164 -8.845 5.323 1.00 0.00 O ATOM 1023 CB GLN A 67 -9.547 -9.759 2.741 1.00 0.00 C ATOM 1024 CG GLN A 67 -8.600 -9.904 1.561 1.00 0.00 C ATOM 1025 CD GLN A 67 -9.317 -9.866 0.225 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -9.756 -8.807 -0.226 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -9.439 -11.023 -0.414 1.00 0.00 N ATOM 0 H GLN A 67 -7.999 -7.834 3.342 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.718 -8.002 2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.053 -10.129 3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.420 -10.390 2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.860 -9.104 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.057 -10.845 1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.060 -11.876 -0.002 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.912 -11.060 -1.317 1.00 0.00 H new ATOM 1036 N GLY A 68 -11.892 -7.600 4.578 1.00 0.00 N ATOM 1037 CA GLY A 68 -12.510 -7.586 5.898 1.00 0.00 C ATOM 1038 C GLY A 68 -11.654 -6.915 6.974 1.00 0.00 C ATOM 1039 O GLY A 68 -12.000 -5.830 7.444 1.00 0.00 O ATOM 0 H GLY A 68 -12.402 -7.096 3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.468 -7.070 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.720 -8.612 6.201 1.00 0.00 H new ATOM 1043 N GLY A 69 -10.545 -7.547 7.382 1.00 0.00 N ATOM 1044 CA GLY A 69 -9.697 -6.965 8.406 1.00 0.00 C ATOM 1045 C GLY A 69 -8.864 -8.016 9.112 1.00 0.00 C ATOM 1046 O GLY A 69 -9.302 -9.155 9.253 1.00 0.00 O ATOM 0 H GLY A 69 -10.226 -8.446 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.039 -6.223 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.315 -6.441 9.135 1.00 0.00 H new ATOM 1050 N ARG A 70 -7.655 -7.629 9.539 1.00 0.00 N ATOM 1051 CA ARG A 70 -6.726 -8.535 10.223 1.00 0.00 C ATOM 1052 C ARG A 70 -5.790 -9.187 9.214 1.00 0.00 C ATOM 1053 O ARG A 70 -4.604 -9.368 9.482 1.00 0.00 O ATOM 1054 CB ARG A 70 -7.462 -9.612 11.031 1.00 0.00 C ATOM 1055 CG ARG A 70 -6.537 -10.512 11.837 1.00 0.00 C ATOM 1056 CD ARG A 70 -6.709 -10.300 13.333 1.00 0.00 C ATOM 1057 NE ARG A 70 -6.770 -8.884 13.685 1.00 0.00 N ATOM 1058 CZ ARG A 70 -5.698 -8.107 13.829 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -4.481 -8.605 13.643 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -5.843 -6.832 14.159 1.00 0.00 N ATOM 0 H ARG A 70 -7.295 -6.682 9.420 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.145 -7.937 10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.165 -9.128 11.709 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.049 -10.227 10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.739 -11.555 11.592 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.502 -10.314 11.558 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.621 -10.795 13.666 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.880 -10.769 13.863 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.689 -8.465 13.829 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.365 -9.586 13.389 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.663 -8.007 13.754 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.776 -6.445 14.303 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.022 -6.237 14.269 1.00 0.00 H new ATOM 1074 N LYS A 71 -6.334 -9.523 8.044 1.00 0.00 N ATOM 1075 CA LYS A 71 -5.558 -10.140 6.974 1.00 0.00 C ATOM 1076 C LYS A 71 -4.652 -11.253 7.511 1.00 0.00 C ATOM 1077 O LYS A 71 -3.558 -10.992 8.016 1.00 0.00 O ATOM 1078 CB LYS A 71 -4.748 -9.056 6.236 1.00 0.00 C ATOM 1079 CG LYS A 71 -3.416 -9.520 5.649 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.252 -8.662 6.133 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.188 -8.581 7.652 1.00 0.00 C ATOM 1082 NZ LYS A 71 -1.431 -7.384 8.111 1.00 0.00 N ATOM 0 H LYS A 71 -7.317 -9.376 7.815 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.242 -10.608 6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.361 -8.654 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.555 -8.236 6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.240 -10.560 5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.466 -9.483 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.317 -9.074 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.348 -7.657 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.199 -8.549 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.716 -9.482 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.410 -7.364 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.458 -7.427 7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.896 -6.523 7.758 1.00 0.00 H new ATOM 1096 N THR A 72 -5.111 -12.494 7.383 1.00 0.00 N ATOM 1097 CA THR A 72 -4.342 -13.651 7.836 1.00 0.00 C ATOM 1098 C THR A 72 -4.105 -14.610 6.664 1.00 0.00 C ATOM 1099 O THR A 72 -3.638 -14.188 5.607 1.00 0.00 O ATOM 1100 CB THR A 72 -5.061 -14.348 8.999 1.00 0.00 C ATOM 1101 OG1 THR A 72 -4.340 -15.494 9.416 1.00 0.00 O ATOM 1102 CG2 THR A 72 -6.470 -14.790 8.667 1.00 0.00 C ATOM 0 H THR A 72 -6.014 -12.726 6.968 1.00 0.00 H new ATOM 0 HA THR A 72 -3.371 -13.318 8.202 1.00 0.00 H new ATOM 0 HB THR A 72 -5.115 -13.599 9.789 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.962 -16.238 9.557 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.914 -15.274 9.537 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.068 -13.922 8.390 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.444 -15.493 7.834 1.00 0.00 H new ATOM 1110 N TYR A 73 -4.428 -15.894 6.834 1.00 0.00 N ATOM 1111 CA TYR A 73 -4.238 -16.869 5.758 1.00 0.00 C ATOM 1112 C TYR A 73 -4.958 -16.386 4.487 1.00 0.00 C ATOM 1113 O TYR A 73 -5.629 -15.358 4.523 1.00 0.00 O ATOM 1114 CB TYR A 73 -4.769 -18.261 6.163 1.00 0.00 C ATOM 1115 CG TYR A 73 -5.148 -18.394 7.622 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -4.182 -18.581 8.602 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -6.479 -18.328 8.016 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -4.532 -18.700 9.934 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -6.837 -18.442 9.345 1.00 0.00 C ATOM 1120 CZ TYR A 73 -5.860 -18.630 10.300 1.00 0.00 C ATOM 1121 OH TYR A 73 -6.212 -18.743 11.625 1.00 0.00 O ATOM 0 H TYR A 73 -4.817 -16.279 7.695 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.169 -16.958 5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.642 -18.494 5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.009 -19.007 5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.141 -18.634 8.319 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.247 -18.185 7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.769 -18.847 10.684 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.876 -18.384 9.635 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.185 -18.671 11.712 1.00 0.00 H new ATOM 1131 N THR A 74 -4.830 -17.128 3.373 1.00 0.00 N ATOM 1132 CA THR A 74 -5.486 -16.762 2.113 1.00 0.00 C ATOM 1133 C THR A 74 -5.035 -15.388 1.600 1.00 0.00 C ATOM 1134 O THR A 74 -4.449 -15.290 0.522 1.00 0.00 O ATOM 1135 CB THR A 74 -7.014 -16.803 2.257 1.00 0.00 C ATOM 1136 OG1 THR A 74 -7.412 -16.655 3.607 1.00 0.00 O ATOM 1137 CG2 THR A 74 -7.625 -18.090 1.744 1.00 0.00 C ATOM 0 H THR A 74 -4.278 -17.984 3.323 1.00 0.00 H new ATOM 0 HA THR A 74 -5.182 -17.503 1.373 1.00 0.00 H new ATOM 0 HB THR A 74 -7.374 -15.970 1.653 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.095 -15.793 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.707 -18.056 1.874 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.390 -18.208 0.686 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.219 -18.933 2.302 1.00 0.00 H new ATOM 1145 N VAL A 75 -5.314 -14.332 2.362 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.938 -12.979 1.956 1.00 0.00 C ATOM 1147 C VAL A 75 -3.458 -12.725 2.267 1.00 0.00 C ATOM 1148 O VAL A 75 -3.119 -12.314 3.378 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.829 -11.953 2.728 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.691 -12.159 4.229 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -5.543 -10.487 2.374 1.00 0.00 C ATOM 0 H VAL A 75 -5.796 -14.386 3.259 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.090 -12.865 0.883 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.853 -12.150 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.317 -11.438 4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.006 -13.170 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.651 -12.017 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.202 -9.838 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.505 -10.252 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.719 -10.329 1.310 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.565 -12.959 1.285 1.00 0.00 N ATOM 1162 CA ARG A 76 -1.141 -12.733 1.502 1.00 0.00 C ATOM 1163 C ARG A 76 -0.754 -11.303 1.132 1.00 0.00 C ATOM 1164 O ARG A 76 -0.064 -10.626 1.894 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.296 -13.736 0.707 1.00 0.00 C ATOM 1166 CG ARG A 76 -0.212 -15.110 1.356 1.00 0.00 C ATOM 1167 CD ARG A 76 1.140 -15.764 1.114 1.00 0.00 C ATOM 1168 NE ARG A 76 1.018 -17.015 0.366 1.00 0.00 N ATOM 1169 CZ ARG A 76 0.648 -18.173 0.908 1.00 0.00 C ATOM 1170 NH1 ARG A 76 0.344 -18.244 2.198 1.00 0.00 N ATOM 1171 NH2 ARG A 76 0.578 -19.265 0.156 1.00 0.00 N ATOM 0 H ARG A 76 -2.808 -13.298 0.354 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.940 -12.882 2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.717 -13.841 -0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.711 -13.337 0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.385 -15.017 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.001 -15.749 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.783 -15.075 0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.625 -15.959 2.071 1.00 0.00 H new ATOM 0 HE ARG A 76 1.229 -16.999 -0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.393 -17.408 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.061 -19.135 2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.808 -19.216 -0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.295 -20.153 0.571 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.206 -10.833 -0.033 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.896 -9.474 -0.463 1.00 0.00 C ATOM 1187 C VAL A 77 -2.178 -8.723 -0.875 1.00 0.00 C ATOM 1188 O VAL A 77 -2.945 -9.210 -1.708 1.00 0.00 O ATOM 1189 CB VAL A 77 0.117 -9.504 -1.645 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.226 -10.510 -1.373 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.579 -9.827 -2.956 1.00 0.00 C ATOM 0 H VAL A 77 -1.780 -11.367 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.445 -8.943 0.375 1.00 0.00 H new ATOM 0 HB VAL A 77 0.559 -8.511 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.924 -10.517 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.755 -10.231 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.794 -11.504 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.154 -9.841 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.057 -10.804 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.333 -9.068 -3.164 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.441 -7.535 -0.276 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.648 -6.720 -0.554 1.00 0.00 C ATOM 1203 C PRO A 78 -3.899 -6.317 -1.974 1.00 0.00 C ATOM 1204 O PRO A 78 -4.127 -5.125 -2.205 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.362 -5.441 0.229 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.612 -5.935 1.398 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.626 -6.883 0.785 1.00 0.00 C ATOM 0 HA PRO A 78 -4.528 -7.308 -0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.778 -4.731 -0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.280 -4.933 0.523 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.116 -5.125 1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.263 -6.436 2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.761 -6.362 0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.248 -7.604 1.510 1.00 0.00 H new ATOM 1215 N THR A 79 -3.968 -7.221 -2.947 1.00 0.00 N ATOM 1216 CA THR A 79 -4.321 -6.668 -4.221 1.00 0.00 C ATOM 1217 C THR A 79 -5.754 -7.028 -4.565 1.00 0.00 C ATOM 1218 O THR A 79 -6.073 -8.140 -4.984 1.00 0.00 O ATOM 1219 CB THR A 79 -3.365 -7.187 -5.305 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.325 -7.957 -4.730 1.00 0.00 O ATOM 1221 CG2 THR A 79 -2.719 -6.084 -6.115 1.00 0.00 C ATOM 0 H THR A 79 -3.803 -8.226 -2.886 1.00 0.00 H new ATOM 0 HA THR A 79 -4.235 -5.582 -4.172 1.00 0.00 H new ATOM 0 HB THR A 79 -3.985 -7.789 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.728 -8.280 -5.437 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.057 -6.521 -6.862 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.491 -5.498 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.143 -5.437 -5.454 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.576 -5.994 -4.475 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.983 -6.033 -4.859 1.00 0.00 C ATOM 1231 C ILE A 80 -8.300 -4.878 -5.808 1.00 0.00 C ATOM 1232 O ILE A 80 -8.588 -3.790 -5.324 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.909 -5.949 -3.627 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -8.577 -7.060 -2.628 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -10.368 -6.028 -4.051 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -8.975 -8.446 -3.097 1.00 0.00 C ATOM 0 H ILE A 80 -6.279 -5.083 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.161 -6.985 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.745 -4.989 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.505 -7.048 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.079 -6.848 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.007 -5.967 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.597 -5.201 -4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.547 -6.973 -4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.707 -9.179 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.051 -8.477 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.453 -8.680 -4.025 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.326 -5.081 -7.116 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.672 -3.986 -8.036 1.00 0.00 C ATOM 1250 C PHE A 81 -8.782 -4.509 -9.463 1.00 0.00 C ATOM 1251 O PHE A 81 -9.913 -4.812 -9.896 1.00 0.00 O ATOM 1252 CB PHE A 81 -7.658 -2.800 -8.005 1.00 0.00 C ATOM 1253 CG PHE A 81 -6.801 -2.658 -6.761 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -7.268 -2.001 -5.618 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -5.516 -3.173 -6.738 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -6.477 -1.886 -4.494 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -4.724 -3.063 -5.607 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.205 -2.420 -4.478 1.00 0.00 C ATOM 1259 OXT PHE A 81 -7.736 -4.610 -10.136 1.00 0.00 O ATOM 0 H PHE A 81 -8.118 -5.972 -7.567 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.631 -3.599 -7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.994 -2.899 -8.864 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.216 -1.874 -8.139 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.262 -1.578 -5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.125 -3.668 -7.615 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.856 -1.375 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.728 -3.480 -5.605 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.590 -2.338 -3.594 1.00 0.00 H new TER 1269 PHE A 81 HETATM 1270 ZN ZN A 82 -5.304 2.887 -0.707 1.00 0.00 ZN