USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 59 SER OG : rot -72:sc= 1.5 USER MOD Set 1.2: A 94 HIS : +bothHN:sc= -0.0449 K(o=0.65,f=-5!) USER MOD Set 1.3: A 105 TYR OH : rot -7:sc= -0.802 USER MOD Set 2.1: A 52 HIS : no HE2:sc= 0.324 K(o=-3.1,f=-8.4!) USER MOD Set 2.2: A 72 CYS SG : rot 6:sc= -3.01! USER MOD Set 2.3: A 77 ASN : amide:sc= -0.386 K(o=-3.1,f=-3.9) USER MOD Set 3.1: A 39 ASN : amide:sc= 0.00437! X(o=-0.011!,f=0.47) USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 75 TYR OH : rot 180:sc= -0.0151 USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 76 GLN : amide:sc= -1.78! C(o=-1.8!,f=-3.1!) USER MOD Set 5.1: A 23 THR OG1 : rot 168:sc= -1.14! USER MOD Set 5.2: A 74 HIS : no HD1:sc= -1.37! X(o=-2.5!,f=-3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0497 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -0.0581 (180deg=-0.365) USER MOD Single : A 18 THR OG1 : rot 1:sc= 0.792 USER MOD Single : A 24 ASN : amide:sc= -0.0947 K(o=-0.095,f=-0.88) USER MOD Single : A 25 LYS NZ :NH3+ -131:sc= 0.36 (180deg=-1.98!) USER MOD Single : A 26 THR OG1 : rot 17:sc= 1.23 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 34 ASN : amide:sc= 0.839 K(o=0.84,f=-0.22) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= 1.19 (180deg=0.987) USER MOD Single : A 60 SER OG : rot 72:sc= 1.01 USER MOD Single : A 61 SER OG : rot 70:sc= 1 USER MOD Single : A 67 SER OG : rot 180:sc= -0.032 USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0449) USER MOD Single : A 71 THR OG1 : rot 148:sc= 0.424 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 106:sc= 1.25 USER MOD Single : A 87 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.16) USER MOD Single : A 89 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-3.2) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.606 -8.442 10.026 1.00 0.00 N ATOM 2 CA MET A 1 -10.207 -8.913 10.014 1.00 0.00 C ATOM 3 C MET A 1 -9.345 -7.905 9.273 1.00 0.00 C ATOM 4 O MET A 1 -9.829 -6.845 8.877 1.00 0.00 O ATOM 5 CB MET A 1 -10.118 -10.283 9.331 1.00 0.00 C ATOM 6 CG MET A 1 -9.397 -11.341 10.156 1.00 0.00 C ATOM 7 SD MET A 1 -7.673 -10.927 10.480 1.00 0.00 S ATOM 8 CE MET A 1 -7.156 -12.364 11.416 1.00 0.00 C ATOM 0 H1 MET A 1 -11.950 -8.400 11.007 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.657 -7.495 9.600 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.198 -9.099 9.480 1.00 0.00 H new ATOM 0 HA MET A 1 -9.850 -9.012 11.039 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.126 -10.634 9.110 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.604 -10.169 8.376 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.918 -11.472 11.104 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.443 -12.296 9.633 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.107 -12.260 11.693 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.762 -12.448 12.318 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.284 -13.260 10.808 1.00 0.00 H new ATOM 20 N TYR A 2 -8.076 -8.229 9.095 1.00 0.00 N ATOM 21 CA TYR A 2 -7.168 -7.368 8.358 1.00 0.00 C ATOM 22 C TYR A 2 -7.496 -7.398 6.871 1.00 0.00 C ATOM 23 O TYR A 2 -8.028 -8.388 6.366 1.00 0.00 O ATOM 24 CB TYR A 2 -5.723 -7.801 8.589 1.00 0.00 C ATOM 25 CG TYR A 2 -5.201 -7.511 9.980 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.471 -8.367 11.040 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.433 -6.381 10.229 1.00 0.00 C ATOM 28 CE1 TYR A 2 -4.990 -8.104 12.307 1.00 0.00 C ATOM 29 CE2 TYR A 2 -3.948 -6.111 11.493 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.229 -6.975 12.528 1.00 0.00 C ATOM 31 OH TYR A 2 -3.750 -6.704 13.790 1.00 0.00 O ATOM 0 H TYR A 2 -7.650 -9.084 9.452 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.289 -6.347 8.720 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.642 -8.871 8.399 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.085 -7.299 7.862 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.066 -9.252 10.870 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.211 -5.701 9.419 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -5.209 -8.779 13.121 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.352 -5.228 11.669 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.232 -5.872 13.772 1.00 0.00 H new ATOM 41 N LEU A 3 -7.180 -6.313 6.181 1.00 0.00 N ATOM 42 CA LEU A 3 -7.498 -6.190 4.764 1.00 0.00 C ATOM 43 C LEU A 3 -6.565 -7.050 3.927 1.00 0.00 C ATOM 44 O LEU A 3 -5.347 -6.881 3.973 1.00 0.00 O ATOM 45 CB LEU A 3 -7.393 -4.733 4.311 1.00 0.00 C ATOM 46 CG LEU A 3 -8.256 -3.739 5.088 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.178 -2.364 4.445 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.697 -4.220 5.158 1.00 0.00 C ATOM 0 H LEU A 3 -6.703 -5.504 6.578 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.522 -6.534 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.351 -4.421 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.665 -4.678 3.257 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.874 -3.668 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.797 -1.664 5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.144 -2.019 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.537 -2.422 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.295 -3.499 5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.097 -4.320 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.734 -5.187 5.660 1.00 0.00 H new ATOM 60 N ARG A 4 -7.139 -7.965 3.160 1.00 0.00 N ATOM 61 CA ARG A 4 -6.349 -8.855 2.326 1.00 0.00 C ATOM 62 C ARG A 4 -5.810 -8.087 1.114 1.00 0.00 C ATOM 63 O ARG A 4 -6.351 -7.037 0.756 1.00 0.00 O ATOM 64 CB ARG A 4 -7.192 -10.060 1.889 1.00 0.00 C ATOM 65 CG ARG A 4 -8.240 -9.741 0.837 1.00 0.00 C ATOM 66 CD ARG A 4 -9.171 -10.918 0.614 1.00 0.00 C ATOM 67 NE ARG A 4 -10.009 -10.739 -0.574 1.00 0.00 N ATOM 68 CZ ARG A 4 -11.240 -10.225 -0.556 1.00 0.00 C ATOM 69 NH1 ARG A 4 -11.769 -9.795 0.581 1.00 0.00 N ATOM 70 NH2 ARG A 4 -11.932 -10.121 -1.684 1.00 0.00 N ATOM 0 H ARG A 4 -8.147 -8.110 3.099 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.501 -9.230 2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.527 -10.832 1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.689 -10.478 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.818 -8.871 1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.750 -9.479 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.583 -11.830 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.807 -11.048 1.490 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.626 -11.026 -1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.234 -9.856 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.711 -9.403 0.589 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.523 -10.434 -2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.873 -9.728 -1.671 1.00 0.00 H new ATOM 84 N PRO A 5 -4.742 -8.598 0.467 1.00 0.00 N ATOM 85 CA PRO A 5 -4.097 -7.931 -0.675 1.00 0.00 C ATOM 86 C PRO A 5 -5.094 -7.545 -1.772 1.00 0.00 C ATOM 87 O PRO A 5 -4.952 -6.502 -2.417 1.00 0.00 O ATOM 88 CB PRO A 5 -3.091 -8.978 -1.192 1.00 0.00 C ATOM 89 CG PRO A 5 -3.470 -10.258 -0.525 1.00 0.00 C ATOM 90 CD PRO A 5 -4.075 -9.867 0.789 1.00 0.00 C ATOM 0 HA PRO A 5 -3.631 -6.991 -0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.143 -9.070 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.068 -8.695 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.180 -10.820 -1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.599 -10.897 -0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.780 -10.616 1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.318 -9.743 1.563 1.00 0.00 H new ATOM 98 N ASP A 6 -6.103 -8.390 -1.965 1.00 0.00 N ATOM 99 CA ASP A 6 -7.176 -8.140 -2.929 1.00 0.00 C ATOM 100 C ASP A 6 -7.832 -6.787 -2.670 1.00 0.00 C ATOM 101 O ASP A 6 -8.052 -5.997 -3.591 1.00 0.00 O ATOM 102 CB ASP A 6 -8.260 -9.219 -2.819 1.00 0.00 C ATOM 103 CG ASP A 6 -7.738 -10.641 -2.916 1.00 0.00 C ATOM 104 OD1 ASP A 6 -6.798 -10.990 -2.175 1.00 0.00 O ATOM 105 OD2 ASP A 6 -8.318 -11.433 -3.686 1.00 0.00 O ATOM 0 H ASP A 6 -6.202 -9.269 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.730 -8.154 -3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.780 -9.099 -1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.996 -9.060 -3.607 1.00 0.00 H new ATOM 110 N GLU A 7 -8.133 -6.532 -1.402 1.00 0.00 N ATOM 111 CA GLU A 7 -8.855 -5.334 -0.997 1.00 0.00 C ATOM 112 C GLU A 7 -7.965 -4.105 -1.090 1.00 0.00 C ATOM 113 O GLU A 7 -8.413 -3.036 -1.505 1.00 0.00 O ATOM 114 CB GLU A 7 -9.379 -5.499 0.430 1.00 0.00 C ATOM 115 CG GLU A 7 -10.349 -6.657 0.578 1.00 0.00 C ATOM 116 CD GLU A 7 -10.724 -6.927 2.018 1.00 0.00 C ATOM 117 OE1 GLU A 7 -11.658 -6.269 2.525 1.00 0.00 O ATOM 118 OE2 GLU A 7 -10.091 -7.805 2.642 1.00 0.00 O ATOM 0 H GLU A 7 -7.884 -7.148 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.697 -5.195 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.536 -5.650 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.873 -4.577 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.252 -6.444 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.904 -7.555 0.149 1.00 0.00 H new ATOM 125 N VAL A 8 -6.704 -4.268 -0.711 1.00 0.00 N ATOM 126 CA VAL A 8 -5.743 -3.171 -0.753 1.00 0.00 C ATOM 127 C VAL A 8 -5.593 -2.640 -2.177 1.00 0.00 C ATOM 128 O VAL A 8 -5.664 -1.430 -2.410 1.00 0.00 O ATOM 129 CB VAL A 8 -4.363 -3.608 -0.217 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.379 -2.447 -0.237 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.493 -4.172 1.189 1.00 0.00 C ATOM 0 H VAL A 8 -6.321 -5.150 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.128 -2.378 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.977 -4.390 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.414 -2.781 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.260 -2.089 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.757 -1.639 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.511 -4.475 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.904 -3.409 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.157 -5.036 1.174 1.00 0.00 H new ATOM 141 N ALA A 9 -5.402 -3.552 -3.123 1.00 0.00 N ATOM 142 CA ALA A 9 -5.282 -3.183 -4.526 1.00 0.00 C ATOM 143 C ALA A 9 -6.549 -2.485 -5.014 1.00 0.00 C ATOM 144 O ALA A 9 -6.481 -1.503 -5.751 1.00 0.00 O ATOM 145 CB ALA A 9 -4.991 -4.416 -5.370 1.00 0.00 C ATOM 0 H ALA A 9 -5.327 -4.553 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.451 -2.485 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.903 -4.128 -6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.057 -4.871 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.804 -5.134 -5.258 1.00 0.00 H new ATOM 151 N ARG A 10 -7.701 -2.992 -4.579 1.00 0.00 N ATOM 152 CA ARG A 10 -8.995 -2.451 -4.990 1.00 0.00 C ATOM 153 C ARG A 10 -9.137 -0.979 -4.602 1.00 0.00 C ATOM 154 O ARG A 10 -9.586 -0.152 -5.404 1.00 0.00 O ATOM 155 CB ARG A 10 -10.129 -3.261 -4.359 1.00 0.00 C ATOM 156 CG ARG A 10 -11.508 -2.854 -4.848 1.00 0.00 C ATOM 157 CD ARG A 10 -12.606 -3.636 -4.148 1.00 0.00 C ATOM 158 NE ARG A 10 -12.406 -5.081 -4.249 1.00 0.00 N ATOM 159 CZ ARG A 10 -12.968 -5.847 -5.183 1.00 0.00 C ATOM 160 NH1 ARG A 10 -13.718 -5.305 -6.136 1.00 0.00 N ATOM 161 NH2 ARG A 10 -12.769 -7.158 -5.171 1.00 0.00 N ATOM 0 H ARG A 10 -7.764 -3.782 -3.937 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.054 -2.523 -6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.973 -4.318 -4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.088 -3.147 -3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.655 -1.788 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.575 -3.016 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.641 -3.348 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.570 -3.373 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.799 -5.530 -3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.867 -4.296 -6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.145 -5.898 -6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.186 -7.579 -4.447 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.199 -7.746 -5.885 1.00 0.00 H new ATOM 175 N VAL A 11 -8.756 -0.657 -3.371 1.00 0.00 N ATOM 176 CA VAL A 11 -8.852 0.712 -2.878 1.00 0.00 C ATOM 177 C VAL A 11 -7.935 1.632 -3.680 1.00 0.00 C ATOM 178 O VAL A 11 -8.313 2.751 -4.030 1.00 0.00 O ATOM 179 CB VAL A 11 -8.504 0.803 -1.373 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.560 2.244 -0.882 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.445 -0.069 -0.558 1.00 0.00 C ATOM 0 H VAL A 11 -8.379 -1.324 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.886 1.034 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.485 0.440 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.311 2.277 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.845 2.847 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.564 2.641 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.187 0.006 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.472 0.267 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.352 -1.106 -0.881 1.00 0.00 H new ATOM 191 N LEU A 12 -6.741 1.140 -3.989 1.00 0.00 N ATOM 192 CA LEU A 12 -5.777 1.898 -4.778 1.00 0.00 C ATOM 193 C LEU A 12 -6.330 2.237 -6.161 1.00 0.00 C ATOM 194 O LEU A 12 -6.125 3.344 -6.660 1.00 0.00 O ATOM 195 CB LEU A 12 -4.462 1.130 -4.899 1.00 0.00 C ATOM 196 CG LEU A 12 -3.693 0.976 -3.584 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.430 0.158 -3.792 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.346 2.340 -3.004 1.00 0.00 C ATOM 0 H LEU A 12 -6.416 0.216 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.587 2.837 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.671 0.139 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.824 1.639 -5.621 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.334 0.449 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.899 0.061 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.695 -0.832 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.788 0.657 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.800 2.210 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.727 2.890 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.263 2.898 -2.814 1.00 0.00 H new ATOM 210 N GLU A 13 -7.041 1.289 -6.772 1.00 0.00 N ATOM 211 CA GLU A 13 -7.677 1.523 -8.063 1.00 0.00 C ATOM 212 C GLU A 13 -8.619 2.717 -7.982 1.00 0.00 C ATOM 213 O GLU A 13 -8.576 3.625 -8.816 1.00 0.00 O ATOM 214 CB GLU A 13 -8.482 0.297 -8.492 1.00 0.00 C ATOM 215 CG GLU A 13 -7.688 -0.993 -8.559 1.00 0.00 C ATOM 216 CD GLU A 13 -8.533 -2.163 -9.017 1.00 0.00 C ATOM 217 OE1 GLU A 13 -9.362 -2.659 -8.223 1.00 0.00 O ATOM 218 OE2 GLU A 13 -8.376 -2.593 -10.176 1.00 0.00 O ATOM 0 H GLU A 13 -7.189 0.354 -6.392 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.891 1.721 -8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.310 0.162 -7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.918 0.491 -9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.848 -0.865 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.270 -1.212 -7.576 1.00 0.00 H new ATOM 225 N LYS A 14 -9.452 2.707 -6.949 1.00 0.00 N ATOM 226 CA LYS A 14 -10.489 3.713 -6.767 1.00 0.00 C ATOM 227 C LYS A 14 -9.884 5.094 -6.536 1.00 0.00 C ATOM 228 O LYS A 14 -10.450 6.108 -6.941 1.00 0.00 O ATOM 229 CB LYS A 14 -11.357 3.333 -5.570 1.00 0.00 C ATOM 230 CG LYS A 14 -12.840 3.600 -5.769 1.00 0.00 C ATOM 231 CD LYS A 14 -13.409 2.749 -6.893 1.00 0.00 C ATOM 232 CE LYS A 14 -14.920 2.876 -6.985 1.00 0.00 C ATOM 233 NZ LYS A 14 -15.594 2.370 -5.760 1.00 0.00 N ATOM 0 H LYS A 14 -9.427 2.001 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.093 3.751 -7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.215 2.274 -5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.013 3.886 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.377 3.390 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.995 4.655 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.960 3.050 -7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.141 1.705 -6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.188 3.921 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.279 2.322 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.600 2.203 -5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.148 1.479 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.506 3.074 -4.999 1.00 0.00 H new ATOM 247 N ALA A 15 -8.723 5.118 -5.895 1.00 0.00 N ATOM 248 CA ALA A 15 -8.065 6.370 -5.521 1.00 0.00 C ATOM 249 C ALA A 15 -7.356 7.039 -6.703 1.00 0.00 C ATOM 250 O ALA A 15 -6.638 8.025 -6.526 1.00 0.00 O ATOM 251 CB ALA A 15 -7.081 6.121 -4.389 1.00 0.00 C ATOM 0 H ALA A 15 -8.212 4.279 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.843 7.057 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.595 7.058 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.613 5.723 -3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.328 5.403 -4.713 1.00 0.00 H new ATOM 257 N GLY A 16 -7.550 6.506 -7.901 1.00 0.00 N ATOM 258 CA GLY A 16 -6.983 7.129 -9.085 1.00 0.00 C ATOM 259 C GLY A 16 -5.525 6.780 -9.295 1.00 0.00 C ATOM 260 O GLY A 16 -4.752 7.583 -9.820 1.00 0.00 O ATOM 0 H GLY A 16 -8.087 5.657 -8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.555 6.821 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.084 8.211 -9.003 1.00 0.00 H new ATOM 264 N PHE A 17 -5.146 5.582 -8.887 1.00 0.00 N ATOM 265 CA PHE A 17 -3.773 5.125 -9.036 1.00 0.00 C ATOM 266 C PHE A 17 -3.553 4.430 -10.374 1.00 0.00 C ATOM 267 O PHE A 17 -4.489 4.223 -11.146 1.00 0.00 O ATOM 268 CB PHE A 17 -3.403 4.167 -7.908 1.00 0.00 C ATOM 269 CG PHE A 17 -2.956 4.841 -6.642 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.843 5.580 -5.880 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.644 4.723 -6.210 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.432 6.191 -4.711 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.225 5.333 -5.043 1.00 0.00 C ATOM 274 CZ PHE A 17 -2.121 6.069 -4.292 1.00 0.00 C ATOM 0 H PHE A 17 -5.771 4.905 -8.449 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.135 6.008 -8.994 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.265 3.538 -7.685 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.607 3.507 -8.254 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.869 5.681 -6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.940 4.147 -6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.135 6.764 -4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.200 5.235 -4.719 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.798 6.548 -3.380 1.00 0.00 H new ATOM 284 N THR A 18 -2.301 4.078 -10.628 1.00 0.00 N ATOM 285 CA THR A 18 -1.912 3.332 -11.815 1.00 0.00 C ATOM 286 C THR A 18 -0.947 2.218 -11.414 1.00 0.00 C ATOM 287 O THR A 18 -0.414 2.235 -10.302 1.00 0.00 O ATOM 288 CB THR A 18 -1.251 4.251 -12.867 1.00 0.00 C ATOM 289 OG1 THR A 18 -0.283 5.107 -12.240 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.292 5.097 -13.584 1.00 0.00 C ATOM 0 H THR A 18 -1.521 4.304 -10.011 1.00 0.00 H new ATOM 0 HA THR A 18 -2.808 2.904 -12.265 1.00 0.00 H new ATOM 0 HB THR A 18 -0.753 3.617 -13.601 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.239 4.904 -11.282 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.800 5.734 -14.319 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.005 4.446 -14.089 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.818 5.718 -12.859 1.00 0.00 H new ATOM 298 N VAL A 19 -0.718 1.259 -12.298 1.00 0.00 N ATOM 299 CA VAL A 19 0.129 0.121 -11.965 1.00 0.00 C ATOM 300 C VAL A 19 1.585 0.394 -12.344 1.00 0.00 C ATOM 301 O VAL A 19 1.874 0.903 -13.427 1.00 0.00 O ATOM 302 CB VAL A 19 -0.374 -1.182 -12.637 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.417 -1.048 -14.151 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.480 -2.374 -12.225 1.00 0.00 C ATOM 0 H VAL A 19 -1.102 1.244 -13.243 1.00 0.00 H new ATOM 0 HA VAL A 19 0.074 -0.020 -10.886 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.393 -1.356 -12.290 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.774 -1.980 -14.589 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.091 -0.236 -14.425 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.583 -0.831 -14.526 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.105 -3.275 -12.711 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.513 -2.202 -12.526 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.433 -2.499 -11.143 1.00 0.00 H new ATOM 314 N ASP A 20 2.489 0.075 -11.430 1.00 0.00 N ATOM 315 CA ASP A 20 3.917 0.290 -11.640 1.00 0.00 C ATOM 316 C ASP A 20 4.595 -1.001 -12.079 1.00 0.00 C ATOM 317 O ASP A 20 5.329 -1.027 -13.063 1.00 0.00 O ATOM 318 CB ASP A 20 4.572 0.803 -10.354 1.00 0.00 C ATOM 319 CG ASP A 20 6.063 1.028 -10.512 1.00 0.00 C ATOM 320 OD1 ASP A 20 6.459 2.098 -11.017 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.847 0.140 -10.122 1.00 0.00 O ATOM 0 H ASP A 20 2.258 -0.338 -10.526 1.00 0.00 H new ATOM 0 HA ASP A 20 4.036 1.036 -12.426 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.096 1.737 -10.056 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.399 0.086 -9.551 1.00 0.00 H new ATOM 326 N VAL A 21 4.344 -2.073 -11.341 1.00 0.00 N ATOM 327 CA VAL A 21 4.916 -3.375 -11.659 1.00 0.00 C ATOM 328 C VAL A 21 3.981 -4.493 -11.201 1.00 0.00 C ATOM 329 O VAL A 21 3.574 -4.545 -10.043 1.00 0.00 O ATOM 330 CB VAL A 21 6.324 -3.555 -11.030 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.297 -3.317 -9.526 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.886 -4.934 -11.343 1.00 0.00 C ATOM 0 H VAL A 21 3.746 -2.067 -10.515 1.00 0.00 H new ATOM 0 HA VAL A 21 5.031 -3.429 -12.742 1.00 0.00 H new ATOM 0 HB VAL A 21 6.980 -2.806 -11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.299 -3.451 -9.118 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.956 -2.301 -9.324 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.616 -4.028 -9.057 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.873 -5.036 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.222 -5.698 -10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.967 -5.058 -12.423 1.00 0.00 H new ATOM 342 N VAL A 22 3.624 -5.377 -12.113 1.00 0.00 N ATOM 343 CA VAL A 22 2.686 -6.440 -11.798 1.00 0.00 C ATOM 344 C VAL A 22 3.388 -7.794 -11.744 1.00 0.00 C ATOM 345 O VAL A 22 4.078 -8.187 -12.683 1.00 0.00 O ATOM 346 CB VAL A 22 1.523 -6.479 -12.818 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.044 -6.631 -14.241 1.00 0.00 C ATOM 348 CG2 VAL A 22 0.540 -7.592 -12.476 1.00 0.00 C ATOM 0 H VAL A 22 3.967 -5.382 -13.074 1.00 0.00 H new ATOM 0 HA VAL A 22 2.271 -6.228 -10.813 1.00 0.00 H new ATOM 0 HB VAL A 22 0.993 -5.528 -12.758 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.204 -6.655 -14.935 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.691 -5.788 -14.484 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.610 -7.559 -14.324 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.269 -7.600 -13.207 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.056 -8.552 -12.495 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.129 -7.421 -11.481 1.00 0.00 H new ATOM 358 N THR A 23 3.237 -8.486 -10.622 1.00 0.00 N ATOM 359 CA THR A 23 3.783 -9.828 -10.458 1.00 0.00 C ATOM 360 C THR A 23 2.820 -10.673 -9.629 1.00 0.00 C ATOM 361 O THR A 23 1.923 -10.136 -8.974 1.00 0.00 O ATOM 362 CB THR A 23 5.166 -9.816 -9.766 1.00 0.00 C ATOM 363 OG1 THR A 23 5.073 -9.158 -8.501 1.00 0.00 O ATOM 364 CG2 THR A 23 6.220 -9.124 -10.622 1.00 0.00 C ATOM 0 H THR A 23 2.736 -8.136 -9.805 1.00 0.00 H new ATOM 0 HA THR A 23 3.909 -10.253 -11.454 1.00 0.00 H new ATOM 0 HB THR A 23 5.472 -10.853 -9.624 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.892 -9.319 -7.988 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.177 -9.136 -10.101 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.318 -9.648 -11.573 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.920 -8.092 -10.805 1.00 0.00 H new ATOM 372 N ASN A 24 3.016 -11.983 -9.638 1.00 0.00 N ATOM 373 CA ASN A 24 2.185 -12.892 -8.851 1.00 0.00 C ATOM 374 C ASN A 24 2.495 -12.743 -7.357 1.00 0.00 C ATOM 375 O ASN A 24 1.853 -13.355 -6.507 1.00 0.00 O ATOM 376 CB ASN A 24 2.423 -14.339 -9.299 1.00 0.00 C ATOM 377 CG ASN A 24 1.432 -15.318 -8.693 1.00 0.00 C ATOM 378 OD1 ASN A 24 0.279 -14.976 -8.433 1.00 0.00 O ATOM 379 ND2 ASN A 24 1.877 -16.545 -8.461 1.00 0.00 N ATOM 0 H ASN A 24 3.745 -12.445 -10.182 1.00 0.00 H new ATOM 0 HA ASN A 24 1.138 -12.638 -9.014 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.360 -14.392 -10.386 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.435 -14.637 -9.024 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.256 -17.244 -8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.840 -16.790 -8.691 1.00 0.00 H new ATOM 386 N LYS A 25 3.480 -11.908 -7.043 1.00 0.00 N ATOM 387 CA LYS A 25 3.891 -11.699 -5.661 1.00 0.00 C ATOM 388 C LYS A 25 3.426 -10.345 -5.136 1.00 0.00 C ATOM 389 O LYS A 25 3.368 -10.131 -3.925 1.00 0.00 O ATOM 390 CB LYS A 25 5.413 -11.793 -5.530 1.00 0.00 C ATOM 391 CG LYS A 25 5.998 -13.113 -6.004 1.00 0.00 C ATOM 392 CD LYS A 25 7.488 -13.187 -5.712 1.00 0.00 C ATOM 393 CE LYS A 25 7.753 -13.159 -4.220 1.00 0.00 C ATOM 394 NZ LYS A 25 9.202 -13.082 -3.903 1.00 0.00 N ATOM 0 H LYS A 25 4.008 -11.366 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 25 3.423 -12.483 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.866 -10.982 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.687 -11.641 -4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.486 -13.939 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.828 -13.226 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.901 -14.100 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.998 -12.351 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.242 -12.303 -3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.331 -14.053 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.441 -13.804 -3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.756 -13.249 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.425 -12.139 -3.526 1.00 0.00 H new ATOM 408 N THR A 26 3.084 -9.426 -6.035 1.00 0.00 N ATOM 409 CA THR A 26 2.755 -8.073 -5.613 1.00 0.00 C ATOM 410 C THR A 26 2.128 -7.256 -6.739 1.00 0.00 C ATOM 411 O THR A 26 2.373 -7.503 -7.923 1.00 0.00 O ATOM 412 CB THR A 26 4.019 -7.336 -5.105 1.00 0.00 C ATOM 413 OG1 THR A 26 3.666 -6.101 -4.465 1.00 0.00 O ATOM 414 CG2 THR A 26 4.981 -7.047 -6.250 1.00 0.00 C ATOM 0 H THR A 26 3.029 -9.590 -7.040 1.00 0.00 H new ATOM 0 HA THR A 26 2.028 -8.167 -4.807 1.00 0.00 H new ATOM 0 HB THR A 26 4.509 -7.990 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.710 -6.105 -4.251 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.860 -6.529 -5.865 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.287 -7.985 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.486 -6.420 -6.992 1.00 0.00 H new ATOM 422 N TYR A 27 1.308 -6.292 -6.349 1.00 0.00 N ATOM 423 CA TYR A 27 0.808 -5.290 -7.269 1.00 0.00 C ATOM 424 C TYR A 27 1.495 -3.962 -6.989 1.00 0.00 C ATOM 425 O TYR A 27 1.115 -3.241 -6.066 1.00 0.00 O ATOM 426 CB TYR A 27 -0.708 -5.115 -7.141 1.00 0.00 C ATOM 427 CG TYR A 27 -1.527 -6.248 -7.715 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.696 -6.376 -9.088 1.00 0.00 C ATOM 429 CD2 TYR A 27 -2.154 -7.171 -6.887 1.00 0.00 C ATOM 430 CE1 TYR A 27 -2.466 -7.391 -9.620 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.922 -8.193 -7.412 1.00 0.00 C ATOM 432 CZ TYR A 27 -3.075 -8.297 -8.779 1.00 0.00 C ATOM 433 OH TYR A 27 -3.852 -9.302 -9.306 1.00 0.00 O ATOM 0 H TYR A 27 0.974 -6.185 -5.391 1.00 0.00 H new ATOM 0 HA TYR A 27 1.025 -5.623 -8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.959 -5.002 -6.086 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.996 -4.189 -7.638 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.217 -5.670 -9.750 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.039 -7.088 -5.816 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.590 -7.474 -10.690 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.399 -8.906 -6.756 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.208 -9.855 -8.580 1.00 0.00 H new ATOM 443 N GLY A 28 2.533 -3.666 -7.753 1.00 0.00 N ATOM 444 CA GLY A 28 3.197 -2.389 -7.628 1.00 0.00 C ATOM 445 C GLY A 28 2.299 -1.275 -8.104 1.00 0.00 C ATOM 446 O GLY A 28 1.823 -1.304 -9.238 1.00 0.00 O ATOM 0 H GLY A 28 2.928 -4.288 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.477 -2.219 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.119 -2.394 -8.210 1.00 0.00 H new ATOM 450 N TYR A 29 2.057 -0.304 -7.250 1.00 0.00 N ATOM 451 CA TYR A 29 1.092 0.737 -7.540 1.00 0.00 C ATOM 452 C TYR A 29 1.709 2.116 -7.397 1.00 0.00 C ATOM 453 O TYR A 29 2.537 2.349 -6.523 1.00 0.00 O ATOM 454 CB TYR A 29 -0.113 0.584 -6.617 1.00 0.00 C ATOM 455 CG TYR A 29 -1.309 -0.026 -7.310 1.00 0.00 C ATOM 456 CD1 TYR A 29 -2.144 0.747 -8.104 1.00 0.00 C ATOM 457 CD2 TYR A 29 -1.593 -1.380 -7.182 1.00 0.00 C ATOM 458 CE1 TYR A 29 -3.230 0.191 -8.752 1.00 0.00 C ATOM 459 CE2 TYR A 29 -2.675 -1.945 -7.828 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.491 -1.156 -8.612 1.00 0.00 C ATOM 461 OH TYR A 29 -4.570 -1.716 -9.259 1.00 0.00 O ATOM 0 H TYR A 29 2.517 -0.213 -6.344 1.00 0.00 H new ATOM 0 HA TYR A 29 0.767 0.634 -8.575 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.164 -0.038 -5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.388 1.562 -6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.941 1.802 -8.217 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.958 -2.001 -6.568 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.871 0.808 -9.365 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.881 -3.000 -7.720 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.612 -2.674 -9.056 1.00 0.00 H new ATOM 471 N ARG A 30 1.309 3.029 -8.265 1.00 0.00 N ATOM 472 CA ARG A 30 1.861 4.368 -8.253 1.00 0.00 C ATOM 473 C ARG A 30 0.834 5.404 -8.689 1.00 0.00 C ATOM 474 O ARG A 30 -0.052 5.122 -9.494 1.00 0.00 O ATOM 475 CB ARG A 30 3.081 4.443 -9.153 1.00 0.00 C ATOM 476 CG ARG A 30 2.758 4.206 -10.602 1.00 0.00 C ATOM 477 CD ARG A 30 3.670 5.013 -11.482 1.00 0.00 C ATOM 478 NE ARG A 30 4.870 4.275 -11.871 1.00 0.00 N ATOM 479 CZ ARG A 30 5.631 4.589 -12.914 1.00 0.00 C ATOM 480 NH1 ARG A 30 5.308 5.619 -13.689 1.00 0.00 N ATOM 481 NH2 ARG A 30 6.714 3.871 -13.172 1.00 0.00 N ATOM 0 H ARG A 30 0.605 2.866 -8.985 1.00 0.00 H new ATOM 0 HA ARG A 30 2.152 4.593 -7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.545 5.423 -9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.814 3.706 -8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.861 3.146 -10.835 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.720 4.476 -10.798 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.129 5.318 -12.378 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.961 5.924 -10.959 1.00 0.00 H new ATOM 0 HE ARG A 30 5.140 3.469 -11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.475 6.170 -13.484 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.893 5.858 -14.489 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.959 3.083 -12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.303 4.106 -13.971 1.00 0.00 H new ATOM 495 N ARG A 31 0.949 6.596 -8.133 1.00 0.00 N ATOM 496 CA ARG A 31 0.157 7.732 -8.574 1.00 0.00 C ATOM 497 C ARG A 31 1.049 8.963 -8.585 1.00 0.00 C ATOM 498 O ARG A 31 1.287 9.582 -7.545 1.00 0.00 O ATOM 499 CB ARG A 31 -1.061 7.957 -7.669 1.00 0.00 C ATOM 500 CG ARG A 31 -2.090 8.912 -8.263 1.00 0.00 C ATOM 501 CD ARG A 31 -3.271 9.132 -7.325 1.00 0.00 C ATOM 502 NE ARG A 31 -2.876 9.845 -6.110 1.00 0.00 N ATOM 503 CZ ARG A 31 -3.685 10.079 -5.075 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.950 9.674 -5.102 1.00 0.00 N ATOM 505 NH2 ARG A 31 -3.226 10.726 -4.011 1.00 0.00 N ATOM 0 H ARG A 31 1.590 6.805 -7.367 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.225 7.534 -9.576 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.539 6.998 -7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.724 8.349 -6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.615 9.869 -8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.450 8.514 -9.212 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.045 9.698 -7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.706 8.169 -7.056 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.917 10.187 -6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.310 9.180 -5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.561 9.857 -4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.257 11.043 -3.986 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.842 10.906 -3.219 1.00 0.00 H new ATOM 519 N GLY A 32 1.574 9.286 -9.754 1.00 0.00 N ATOM 520 CA GLY A 32 2.572 10.327 -9.853 1.00 0.00 C ATOM 521 C GLY A 32 3.913 9.833 -9.368 1.00 0.00 C ATOM 522 O GLY A 32 4.402 8.807 -9.836 1.00 0.00 O ATOM 0 H GLY A 32 1.326 8.844 -10.639 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.655 10.660 -10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.263 11.190 -9.264 1.00 0.00 H new ATOM 526 N GLU A 33 4.492 10.536 -8.409 1.00 0.00 N ATOM 527 CA GLU A 33 5.766 10.129 -7.832 1.00 0.00 C ATOM 528 C GLU A 33 5.550 9.378 -6.524 1.00 0.00 C ATOM 529 O GLU A 33 6.490 9.139 -5.765 1.00 0.00 O ATOM 530 CB GLU A 33 6.661 11.345 -7.608 1.00 0.00 C ATOM 531 CG GLU A 33 7.045 12.047 -8.900 1.00 0.00 C ATOM 532 CD GLU A 33 8.073 13.135 -8.690 1.00 0.00 C ATOM 533 OE1 GLU A 33 9.266 12.805 -8.520 1.00 0.00 O ATOM 534 OE2 GLU A 33 7.701 14.326 -8.708 1.00 0.00 O ATOM 0 H GLU A 33 4.102 11.391 -8.013 1.00 0.00 H new ATOM 0 HA GLU A 33 6.261 9.457 -8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.148 12.052 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.567 11.032 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.437 11.313 -9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.153 12.479 -9.353 1.00 0.00 H new ATOM 541 N ASN A 34 4.303 9.004 -6.269 1.00 0.00 N ATOM 542 CA ASN A 34 3.964 8.226 -5.085 1.00 0.00 C ATOM 543 C ASN A 34 3.925 6.749 -5.439 1.00 0.00 C ATOM 544 O ASN A 34 3.107 6.324 -6.257 1.00 0.00 O ATOM 545 CB ASN A 34 2.610 8.652 -4.510 1.00 0.00 C ATOM 546 CG ASN A 34 2.548 10.128 -4.168 1.00 0.00 C ATOM 547 OD1 ASN A 34 2.955 10.544 -3.088 1.00 0.00 O ATOM 548 ND2 ASN A 34 2.007 10.927 -5.076 1.00 0.00 N ATOM 0 H ASN A 34 3.508 9.228 -6.868 1.00 0.00 H new ATOM 0 HA ASN A 34 4.728 8.406 -4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.826 8.419 -5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.403 8.068 -3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.918 11.926 -4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.680 10.544 -5.963 1.00 0.00 H new ATOM 555 N TYR A 35 4.808 5.974 -4.830 1.00 0.00 N ATOM 556 CA TYR A 35 4.923 4.556 -5.142 1.00 0.00 C ATOM 557 C TYR A 35 4.590 3.700 -3.927 1.00 0.00 C ATOM 558 O TYR A 35 5.071 3.967 -2.826 1.00 0.00 O ATOM 559 CB TYR A 35 6.342 4.225 -5.618 1.00 0.00 C ATOM 560 CG TYR A 35 6.781 4.985 -6.849 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.397 4.572 -8.118 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.586 6.110 -6.742 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.803 5.261 -9.245 1.00 0.00 C ATOM 564 CE2 TYR A 35 7.995 6.805 -7.864 1.00 0.00 C ATOM 565 CZ TYR A 35 7.601 6.377 -9.114 1.00 0.00 C ATOM 566 OH TYR A 35 8.006 7.066 -10.234 1.00 0.00 O ATOM 0 H TYR A 35 5.457 6.303 -4.115 1.00 0.00 H new ATOM 0 HA TYR A 35 4.211 4.334 -5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.042 4.433 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.403 3.156 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.771 3.698 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.898 6.448 -5.765 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.496 4.926 -10.225 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.620 7.680 -7.762 1.00 0.00 H new ATOM 0 HH TYR A 35 8.562 7.827 -9.966 1.00 0.00 H new ATOM 576 N VAL A 36 3.761 2.684 -4.134 1.00 0.00 N ATOM 577 CA VAL A 36 3.452 1.704 -3.101 1.00 0.00 C ATOM 578 C VAL A 36 3.421 0.305 -3.718 1.00 0.00 C ATOM 579 O VAL A 36 3.431 0.161 -4.942 1.00 0.00 O ATOM 580 CB VAL A 36 2.101 1.981 -2.390 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.094 3.353 -1.735 1.00 0.00 C ATOM 582 CG2 VAL A 36 0.930 1.848 -3.351 1.00 0.00 C ATOM 0 H VAL A 36 3.285 2.517 -5.021 1.00 0.00 H new ATOM 0 HA VAL A 36 4.235 1.777 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 36 1.987 1.228 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.134 3.517 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.893 3.407 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.250 4.119 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.001 2.048 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.045 2.563 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.906 0.837 -3.757 1.00 0.00 H new ATOM 592 N TYR A 37 3.384 -0.722 -2.885 1.00 0.00 N ATOM 593 CA TYR A 37 3.398 -2.094 -3.368 1.00 0.00 C ATOM 594 C TYR A 37 2.419 -2.948 -2.570 1.00 0.00 C ATOM 595 O TYR A 37 2.547 -3.081 -1.353 1.00 0.00 O ATOM 596 CB TYR A 37 4.809 -2.687 -3.259 1.00 0.00 C ATOM 597 CG TYR A 37 5.879 -1.896 -3.983 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.084 -2.049 -5.349 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.691 -1.002 -3.296 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.069 -1.334 -6.009 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.678 -0.285 -3.947 1.00 0.00 C ATOM 602 CZ TYR A 37 7.865 -0.454 -5.302 1.00 0.00 C ATOM 603 OH TYR A 37 8.855 0.253 -5.951 1.00 0.00 O ATOM 0 H TYR A 37 3.344 -0.632 -1.870 1.00 0.00 H new ATOM 0 HA TYR A 37 3.095 -2.090 -4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.079 -2.760 -2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.795 -3.702 -3.655 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.465 -2.737 -5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.549 -0.865 -2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.214 -1.464 -7.071 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.300 0.405 -3.396 1.00 0.00 H new ATOM 0 HH TYR A 37 9.321 0.828 -5.309 1.00 0.00 H new ATOM 613 N VAL A 38 1.434 -3.514 -3.249 1.00 0.00 N ATOM 614 CA VAL A 38 0.479 -4.401 -2.598 1.00 0.00 C ATOM 615 C VAL A 38 1.085 -5.786 -2.431 1.00 0.00 C ATOM 616 O VAL A 38 1.260 -6.516 -3.410 1.00 0.00 O ATOM 617 CB VAL A 38 -0.835 -4.520 -3.398 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.842 -5.386 -2.658 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.419 -3.147 -3.678 1.00 0.00 C ATOM 0 H VAL A 38 1.274 -3.377 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 38 0.249 -3.970 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.608 -4.998 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.760 -5.455 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.427 -6.384 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.061 -4.941 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.345 -3.254 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.626 -2.640 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.706 -2.560 -4.257 1.00 0.00 H new ATOM 629 N ASN A 39 1.420 -6.139 -1.201 1.00 0.00 N ATOM 630 CA ASN A 39 2.036 -7.426 -0.918 1.00 0.00 C ATOM 631 C ASN A 39 1.014 -8.543 -1.089 1.00 0.00 C ATOM 632 O ASN A 39 0.158 -8.756 -0.232 1.00 0.00 O ATOM 633 CB ASN A 39 2.611 -7.445 0.501 1.00 0.00 C ATOM 634 CG ASN A 39 3.476 -8.665 0.772 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.515 -9.176 1.891 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.196 -9.125 -0.243 1.00 0.00 N ATOM 0 H ASN A 39 1.275 -5.551 -0.380 1.00 0.00 H new ATOM 0 HA ASN A 39 2.853 -7.584 -1.622 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.203 -6.544 0.660 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.792 -7.419 1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.809 -9.929 -0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.137 -8.674 -1.156 1.00 0.00 H new ATOM 643 N ARG A 40 1.103 -9.250 -2.206 1.00 0.00 N ATOM 644 CA ARG A 40 0.147 -10.300 -2.524 1.00 0.00 C ATOM 645 C ARG A 40 0.462 -11.555 -1.718 1.00 0.00 C ATOM 646 O ARG A 40 -0.313 -12.509 -1.688 1.00 0.00 O ATOM 647 CB ARG A 40 0.188 -10.600 -4.020 1.00 0.00 C ATOM 648 CG ARG A 40 -0.955 -11.464 -4.516 1.00 0.00 C ATOM 649 CD ARG A 40 -0.805 -11.760 -5.994 1.00 0.00 C ATOM 650 NE ARG A 40 -1.976 -12.434 -6.541 1.00 0.00 N ATOM 651 CZ ARG A 40 -2.320 -12.402 -7.824 1.00 0.00 C ATOM 652 NH1 ARG A 40 -1.561 -11.763 -8.707 1.00 0.00 N ATOM 653 NH2 ARG A 40 -3.416 -13.026 -8.219 1.00 0.00 N ATOM 0 H ARG A 40 1.830 -9.115 -2.909 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.856 -9.964 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.180 -9.658 -4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.130 -11.096 -4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.981 -12.398 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.904 -10.958 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.638 -10.828 -6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.077 -12.382 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.567 -12.962 -5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.709 -11.293 -8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.830 -11.742 -9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.990 -13.527 -7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.688 -13.007 -9.202 1.00 0.00 H new ATOM 667 N GLU A 41 1.606 -11.533 -1.054 1.00 0.00 N ATOM 668 CA GLU A 41 2.025 -12.641 -0.210 1.00 0.00 C ATOM 669 C GLU A 41 1.308 -12.586 1.134 1.00 0.00 C ATOM 670 O GLU A 41 1.479 -13.471 1.977 1.00 0.00 O ATOM 671 CB GLU A 41 3.527 -12.578 0.035 1.00 0.00 C ATOM 672 CG GLU A 41 4.350 -12.348 -1.216 1.00 0.00 C ATOM 673 CD GLU A 41 5.802 -12.090 -0.887 1.00 0.00 C ATOM 674 OE1 GLU A 41 6.081 -11.126 -0.138 1.00 0.00 O ATOM 675 OE2 GLU A 41 6.668 -12.851 -1.353 1.00 0.00 O ATOM 0 H GLU A 41 2.265 -10.755 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 41 1.773 -13.570 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.735 -11.778 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.847 -13.510 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.273 -13.218 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.945 -11.500 -1.768 1.00 0.00 H new ATOM 682 N ALA A 42 0.515 -11.537 1.330 1.00 0.00 N ATOM 683 CA ALA A 42 -0.163 -11.319 2.593 1.00 0.00 C ATOM 684 C ALA A 42 -1.336 -12.270 2.754 1.00 0.00 C ATOM 685 O ALA A 42 -2.471 -11.942 2.412 1.00 0.00 O ATOM 686 CB ALA A 42 -0.627 -9.877 2.707 1.00 0.00 C ATOM 0 H ALA A 42 0.329 -10.825 0.624 1.00 0.00 H new ATOM 0 HA ALA A 42 0.547 -11.520 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.134 -9.732 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.235 -9.212 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.315 -9.651 1.893 1.00 0.00 H new ATOM 692 N ARG A 43 -1.047 -13.466 3.243 1.00 0.00 N ATOM 693 CA ARG A 43 -2.085 -14.430 3.561 1.00 0.00 C ATOM 694 C ARG A 43 -2.915 -13.898 4.721 1.00 0.00 C ATOM 695 O ARG A 43 -4.114 -14.157 4.824 1.00 0.00 O ATOM 696 CB ARG A 43 -1.456 -15.786 3.884 1.00 0.00 C ATOM 697 CG ARG A 43 -0.721 -16.381 2.694 1.00 0.00 C ATOM 698 CD ARG A 43 0.062 -17.629 3.059 1.00 0.00 C ATOM 699 NE ARG A 43 0.719 -18.205 1.886 1.00 0.00 N ATOM 700 CZ ARG A 43 1.786 -18.998 1.934 1.00 0.00 C ATOM 701 NH1 ARG A 43 2.373 -19.267 3.096 1.00 0.00 N ATOM 702 NH2 ARG A 43 2.274 -19.505 0.808 1.00 0.00 N ATOM 0 H ARG A 43 -0.098 -13.792 3.428 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.744 -14.574 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.762 -15.673 4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.234 -16.476 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.440 -16.623 1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.040 -15.636 2.282 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.809 -17.384 3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.609 -18.366 3.501 1.00 0.00 H new ATOM 0 HE ARG A 43 0.333 -17.983 0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.006 -18.865 3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.191 -19.876 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.831 -19.285 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.092 -20.114 0.835 1.00 0.00 H new ATOM 716 N MET A 44 -2.251 -13.145 5.585 1.00 0.00 N ATOM 717 CA MET A 44 -2.919 -12.324 6.576 1.00 0.00 C ATOM 718 C MET A 44 -2.703 -10.870 6.188 1.00 0.00 C ATOM 719 O MET A 44 -1.575 -10.476 5.886 1.00 0.00 O ATOM 720 CB MET A 44 -2.371 -12.578 7.987 1.00 0.00 C ATOM 721 CG MET A 44 -2.577 -13.998 8.497 1.00 0.00 C ATOM 722 SD MET A 44 -1.498 -15.205 7.697 1.00 0.00 S ATOM 723 CE MET A 44 -1.964 -16.699 8.569 1.00 0.00 C ATOM 0 H MET A 44 -1.233 -13.088 5.616 1.00 0.00 H new ATOM 0 HA MET A 44 -3.980 -12.572 6.597 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.304 -12.354 7.995 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.848 -11.884 8.679 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.401 -14.020 9.573 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.616 -14.287 8.338 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.383 -17.539 8.188 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.767 -16.575 9.634 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.026 -16.893 8.416 1.00 0.00 H new ATOM 733 N GLY A 45 -3.767 -10.078 6.190 1.00 0.00 N ATOM 734 CA GLY A 45 -3.685 -8.711 5.686 1.00 0.00 C ATOM 735 C GLY A 45 -2.996 -7.743 6.635 1.00 0.00 C ATOM 736 O GLY A 45 -3.413 -6.593 6.769 1.00 0.00 O ATOM 0 H GLY A 45 -4.688 -10.353 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.150 -8.716 4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.693 -8.349 5.482 1.00 0.00 H new ATOM 740 N ARG A 46 -1.938 -8.199 7.284 1.00 0.00 N ATOM 741 CA ARG A 46 -1.206 -7.371 8.224 1.00 0.00 C ATOM 742 C ARG A 46 -0.001 -6.732 7.537 1.00 0.00 C ATOM 743 O ARG A 46 0.378 -5.609 7.850 1.00 0.00 O ATOM 744 CB ARG A 46 -0.767 -8.205 9.434 1.00 0.00 C ATOM 745 CG ARG A 46 -0.080 -7.392 10.519 1.00 0.00 C ATOM 746 CD ARG A 46 0.257 -8.235 11.742 1.00 0.00 C ATOM 747 NE ARG A 46 1.096 -9.389 11.414 1.00 0.00 N ATOM 748 CZ ARG A 46 2.201 -9.722 12.082 1.00 0.00 C ATOM 749 NH1 ARG A 46 2.625 -8.974 13.090 1.00 0.00 N ATOM 750 NH2 ARG A 46 2.879 -10.814 11.746 1.00 0.00 N ATOM 0 H ARG A 46 -1.566 -9.143 7.175 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.860 -6.574 8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.640 -8.699 9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.090 -8.990 9.097 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.834 -6.954 10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.726 -6.566 10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.770 -7.614 12.477 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.666 -8.581 12.206 1.00 0.00 H new ATOM 0 HE ARG A 46 0.818 -9.974 10.626 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.105 -8.138 13.359 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.471 -9.234 13.597 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.554 -11.399 10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.724 -11.067 12.258 1.00 0.00 H new ATOM 764 N THR A 47 0.585 -7.447 6.585 1.00 0.00 N ATOM 765 CA THR A 47 1.740 -6.942 5.849 1.00 0.00 C ATOM 766 C THR A 47 1.362 -6.628 4.406 1.00 0.00 C ATOM 767 O THR A 47 2.216 -6.604 3.522 1.00 0.00 O ATOM 768 CB THR A 47 2.891 -7.969 5.850 1.00 0.00 C ATOM 769 OG1 THR A 47 2.452 -9.207 5.272 1.00 0.00 O ATOM 770 CG2 THR A 47 3.396 -8.221 7.261 1.00 0.00 C ATOM 0 H THR A 47 0.280 -8.379 6.303 1.00 0.00 H new ATOM 0 HA THR A 47 2.071 -6.031 6.348 1.00 0.00 H new ATOM 0 HB THR A 47 3.707 -7.558 5.255 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.191 -9.850 5.276 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.207 -8.949 7.233 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.761 -7.287 7.689 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.583 -8.608 7.875 1.00 0.00 H new ATOM 778 N ALA A 48 0.082 -6.360 4.185 1.00 0.00 N ATOM 779 CA ALA A 48 -0.456 -6.227 2.837 1.00 0.00 C ATOM 780 C ALA A 48 -0.039 -4.922 2.164 1.00 0.00 C ATOM 781 O ALA A 48 0.222 -4.896 0.960 1.00 0.00 O ATOM 782 CB ALA A 48 -1.972 -6.338 2.870 1.00 0.00 C ATOM 0 H ALA A 48 -0.607 -6.230 4.926 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.039 -7.039 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.366 -6.238 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.257 -7.309 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.381 -5.547 3.499 1.00 0.00 H new ATOM 788 N LEU A 49 0.034 -3.842 2.926 1.00 0.00 N ATOM 789 CA LEU A 49 0.316 -2.542 2.336 1.00 0.00 C ATOM 790 C LEU A 49 1.769 -2.143 2.530 1.00 0.00 C ATOM 791 O LEU A 49 2.176 -1.736 3.619 1.00 0.00 O ATOM 792 CB LEU A 49 -0.595 -1.460 2.920 1.00 0.00 C ATOM 793 CG LEU A 49 -0.390 -0.057 2.333 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.819 -0.014 0.875 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.146 0.980 3.148 1.00 0.00 C ATOM 0 H LEU A 49 -0.096 -3.837 3.938 1.00 0.00 H new ATOM 0 HA LEU A 49 0.121 -2.631 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.632 -1.756 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.436 -1.414 3.997 1.00 0.00 H new ATOM 0 HG LEU A 49 0.673 0.180 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.665 0.990 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.226 -0.725 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.874 -0.276 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.988 1.968 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.210 0.745 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.782 0.971 4.176 1.00 0.00 H new ATOM 807 N ILE A 50 2.554 -2.270 1.479 1.00 0.00 N ATOM 808 CA ILE A 50 3.904 -1.745 1.488 1.00 0.00 C ATOM 809 C ILE A 50 3.894 -0.398 0.785 1.00 0.00 C ATOM 810 O ILE A 50 3.285 -0.259 -0.270 1.00 0.00 O ATOM 811 CB ILE A 50 4.911 -2.673 0.771 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.708 -4.141 1.175 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.332 -2.226 1.087 1.00 0.00 C ATOM 814 CD1 ILE A 50 4.900 -4.409 2.652 1.00 0.00 C ATOM 0 H ILE A 50 2.281 -2.731 0.611 1.00 0.00 H new ATOM 0 HA ILE A 50 4.224 -1.660 2.527 1.00 0.00 H new ATOM 0 HB ILE A 50 4.739 -2.602 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.703 -4.449 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.404 -4.761 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.041 -2.881 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.476 -1.202 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.498 -2.275 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.739 -5.468 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.914 -4.134 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.186 -3.818 3.225 1.00 0.00 H new ATOM 826 N ILE A 51 4.524 0.602 1.370 1.00 0.00 N ATOM 827 CA ILE A 51 4.576 1.904 0.730 1.00 0.00 C ATOM 828 C ILE A 51 5.970 2.181 0.160 1.00 0.00 C ATOM 829 O ILE A 51 6.248 1.875 -0.996 1.00 0.00 O ATOM 830 CB ILE A 51 4.129 3.052 1.678 1.00 0.00 C ATOM 831 CG1 ILE A 51 4.843 2.986 3.032 1.00 0.00 C ATOM 832 CG2 ILE A 51 2.620 3.009 1.885 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.642 4.225 3.875 1.00 0.00 C ATOM 0 H ILE A 51 4.999 0.542 2.271 1.00 0.00 H new ATOM 0 HA ILE A 51 3.863 1.877 -0.094 1.00 0.00 H new ATOM 0 HB ILE A 51 4.404 3.993 1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.482 2.118 3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.910 2.837 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.321 3.818 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.118 3.125 0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.341 2.053 2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.174 4.112 4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.028 5.094 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.579 4.363 4.071 1.00 0.00 H new ATOM 845 N HIS A 52 6.848 2.713 0.996 1.00 0.00 N ATOM 846 CA HIS A 52 8.178 3.128 0.590 1.00 0.00 C ATOM 847 C HIS A 52 8.887 3.686 1.817 1.00 0.00 C ATOM 848 O HIS A 52 8.223 4.174 2.734 1.00 0.00 O ATOM 849 CB HIS A 52 8.076 4.209 -0.508 1.00 0.00 C ATOM 850 CG HIS A 52 9.390 4.750 -0.999 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.065 5.767 -0.362 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.144 4.422 -2.076 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.172 6.044 -1.019 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.249 5.243 -2.068 1.00 0.00 N ATOM 0 H HIS A 52 6.653 2.870 1.985 1.00 0.00 H new ATOM 0 HA HIS A 52 8.737 2.284 0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.533 3.792 -1.356 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.481 5.038 -0.125 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.755 6.235 0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.920 3.658 -2.806 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.895 6.798 -0.747 1.00 0.00 H new ATOM 863 N PRO A 53 10.227 3.571 1.885 1.00 0.00 N ATOM 864 CA PRO A 53 11.040 4.287 2.886 1.00 0.00 C ATOM 865 C PRO A 53 10.772 5.799 2.868 1.00 0.00 C ATOM 866 O PRO A 53 9.811 6.252 2.238 1.00 0.00 O ATOM 867 CB PRO A 53 12.475 3.987 2.448 1.00 0.00 C ATOM 868 CG PRO A 53 12.384 2.688 1.728 1.00 0.00 C ATOM 869 CD PRO A 53 11.049 2.687 1.039 1.00 0.00 C ATOM 0 HA PRO A 53 10.819 3.971 3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.864 4.773 1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.145 3.919 3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.195 2.584 1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.465 1.851 2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.123 3.063 0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.628 1.683 0.979 1.00 0.00 H new ATOM 877 N ARG A 54 11.614 6.579 3.551 1.00 0.00 N ATOM 878 CA ARG A 54 11.447 8.042 3.632 1.00 0.00 C ATOM 879 C ARG A 54 10.295 8.409 4.574 1.00 0.00 C ATOM 880 O ARG A 54 10.448 9.220 5.485 1.00 0.00 O ATOM 881 CB ARG A 54 11.188 8.635 2.237 1.00 0.00 C ATOM 882 CG ARG A 54 11.055 10.149 2.186 1.00 0.00 C ATOM 883 CD ARG A 54 10.429 10.568 0.866 1.00 0.00 C ATOM 884 NE ARG A 54 10.722 11.951 0.497 1.00 0.00 N ATOM 885 CZ ARG A 54 11.555 12.287 -0.488 1.00 0.00 C ATOM 886 NH1 ARG A 54 12.322 11.360 -1.056 1.00 0.00 N ATOM 887 NH2 ARG A 54 11.647 13.553 -0.878 1.00 0.00 N ATOM 0 H ARG A 54 12.424 6.224 4.060 1.00 0.00 H new ATOM 0 HA ARG A 54 12.371 8.462 4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.002 8.336 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.275 8.193 1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.441 10.497 3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.035 10.613 2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.786 9.906 0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.349 10.437 0.927 1.00 0.00 H new ATOM 0 HE ARG A 54 10.265 12.698 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.273 10.392 -0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.959 11.617 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.080 14.269 -0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.285 13.809 -1.632 1.00 0.00 H new ATOM 901 N LEU A 55 9.151 7.778 4.351 1.00 0.00 N ATOM 902 CA LEU A 55 7.925 8.075 5.084 1.00 0.00 C ATOM 903 C LEU A 55 7.798 7.249 6.355 1.00 0.00 C ATOM 904 O LEU A 55 6.721 7.173 6.927 1.00 0.00 O ATOM 905 CB LEU A 55 6.719 7.779 4.192 1.00 0.00 C ATOM 906 CG LEU A 55 6.473 8.779 3.069 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.440 8.240 2.092 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.009 10.099 3.654 1.00 0.00 C ATOM 0 H LEU A 55 9.045 7.042 3.653 1.00 0.00 H new ATOM 0 HA LEU A 55 7.961 9.128 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.848 6.790 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.828 7.736 4.818 1.00 0.00 H new ATOM 0 HG LEU A 55 7.405 8.938 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.277 8.967 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.800 7.306 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.502 8.060 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.834 10.812 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.084 9.945 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.775 10.489 4.324 1.00 0.00 H new ATOM 920 N LYS A 56 8.887 6.660 6.811 1.00 0.00 N ATOM 921 CA LYS A 56 8.826 5.672 7.886 1.00 0.00 C ATOM 922 C LYS A 56 8.172 6.234 9.152 1.00 0.00 C ATOM 923 O LYS A 56 7.180 5.683 9.631 1.00 0.00 O ATOM 924 CB LYS A 56 10.233 5.140 8.186 1.00 0.00 C ATOM 925 CG LYS A 56 10.256 3.866 9.018 1.00 0.00 C ATOM 926 CD LYS A 56 11.607 3.169 8.912 1.00 0.00 C ATOM 927 CE LYS A 56 11.590 1.787 9.548 1.00 0.00 C ATOM 928 NZ LYS A 56 11.539 1.846 11.033 1.00 0.00 N ATOM 0 H LYS A 56 9.826 6.844 6.458 1.00 0.00 H new ATOM 0 HA LYS A 56 8.197 4.849 7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.747 4.954 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.797 5.912 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.047 4.105 10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.468 3.193 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.888 3.081 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.369 3.781 9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.728 1.231 9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.479 1.237 9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.943 0.973 11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.087 2.664 11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.551 1.942 11.343 1.00 0.00 H new ATOM 942 N ASP A 57 8.696 7.335 9.676 1.00 0.00 N ATOM 943 CA ASP A 57 8.154 7.921 10.904 1.00 0.00 C ATOM 944 C ASP A 57 6.803 8.581 10.641 1.00 0.00 C ATOM 945 O ASP A 57 5.889 8.503 11.465 1.00 0.00 O ATOM 946 CB ASP A 57 9.125 8.949 11.501 1.00 0.00 C ATOM 947 CG ASP A 57 9.224 10.220 10.677 1.00 0.00 C ATOM 948 OD1 ASP A 57 9.977 10.232 9.684 1.00 0.00 O ATOM 949 OD2 ASP A 57 8.545 11.212 11.017 1.00 0.00 O ATOM 0 H ASP A 57 9.488 7.839 9.277 1.00 0.00 H new ATOM 0 HA ASP A 57 8.018 7.111 11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.802 9.202 12.511 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.114 8.500 11.586 1.00 0.00 H new ATOM 954 N ARG A 58 6.684 9.213 9.480 1.00 0.00 N ATOM 955 CA ARG A 58 5.468 9.921 9.103 1.00 0.00 C ATOM 956 C ARG A 58 4.301 8.954 8.971 1.00 0.00 C ATOM 957 O ARG A 58 3.253 9.130 9.590 1.00 0.00 O ATOM 958 CB ARG A 58 5.682 10.645 7.773 1.00 0.00 C ATOM 959 CG ARG A 58 4.500 11.492 7.336 1.00 0.00 C ATOM 960 CD ARG A 58 4.286 12.665 8.274 1.00 0.00 C ATOM 961 NE ARG A 58 3.367 13.646 7.712 1.00 0.00 N ATOM 962 CZ ARG A 58 3.714 14.885 7.382 1.00 0.00 C ATOM 963 NH1 ARG A 58 4.955 15.313 7.600 1.00 0.00 N ATOM 964 NH2 ARG A 58 2.814 15.695 6.844 1.00 0.00 N ATOM 0 H ARG A 58 7.423 9.249 8.778 1.00 0.00 H new ATOM 0 HA ARG A 58 5.236 10.646 9.883 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.562 11.282 7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.894 9.907 6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.667 11.859 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.600 10.877 7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.895 12.303 9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.243 13.142 8.484 1.00 0.00 H new ATOM 0 HE ARG A 58 2.398 13.364 7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.643 14.689 8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.218 16.265 7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.862 15.366 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.074 16.648 6.588 1.00 0.00 H new ATOM 978 N SER A 59 4.507 7.929 8.164 1.00 0.00 N ATOM 979 CA SER A 59 3.478 6.954 7.870 1.00 0.00 C ATOM 980 C SER A 59 3.012 6.248 9.146 1.00 0.00 C ATOM 981 O SER A 59 1.816 6.045 9.351 1.00 0.00 O ATOM 982 CB SER A 59 4.017 5.952 6.843 1.00 0.00 C ATOM 983 OG SER A 59 5.058 5.156 7.382 1.00 0.00 O ATOM 0 H SER A 59 5.395 7.751 7.694 1.00 0.00 H new ATOM 0 HA SER A 59 2.609 7.460 7.450 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.206 5.308 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.385 6.489 5.969 1.00 0.00 H new ATOM 0 HG SER A 59 5.864 5.702 7.492 1.00 0.00 H new ATOM 989 N SER A 60 3.968 5.890 10.001 1.00 0.00 N ATOM 990 CA SER A 60 3.675 5.232 11.272 1.00 0.00 C ATOM 991 C SER A 60 2.807 6.101 12.188 1.00 0.00 C ATOM 992 O SER A 60 2.128 5.590 13.080 1.00 0.00 O ATOM 993 CB SER A 60 4.980 4.862 11.974 1.00 0.00 C ATOM 994 OG SER A 60 5.777 4.030 11.147 1.00 0.00 O ATOM 0 H SER A 60 4.962 6.047 9.834 1.00 0.00 H new ATOM 0 HA SER A 60 3.106 4.328 11.054 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.532 5.767 12.227 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.762 4.350 12.911 1.00 0.00 H new ATOM 0 HG SER A 60 6.151 4.561 10.413 1.00 0.00 H new ATOM 1000 N SER A 61 2.823 7.411 11.965 1.00 0.00 N ATOM 1001 CA SER A 61 2.045 8.330 12.783 1.00 0.00 C ATOM 1002 C SER A 61 0.577 8.314 12.361 1.00 0.00 C ATOM 1003 O SER A 61 -0.304 8.724 13.118 1.00 0.00 O ATOM 1004 CB SER A 61 2.620 9.744 12.677 1.00 0.00 C ATOM 1005 OG SER A 61 3.981 9.772 13.085 1.00 0.00 O ATOM 0 H SER A 61 3.365 7.858 11.226 1.00 0.00 H new ATOM 0 HA SER A 61 2.103 8.007 13.822 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.537 10.098 11.649 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.037 10.425 13.297 1.00 0.00 H new ATOM 0 HG SER A 61 4.531 9.306 12.421 1.00 0.00 H new ATOM 1011 N LEU A 62 0.324 7.837 11.149 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.036 7.703 10.650 1.00 0.00 C ATOM 1013 C LEU A 62 -1.526 6.271 10.824 1.00 0.00 C ATOM 1014 O LEU A 62 -2.716 6.033 11.029 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.112 8.112 9.179 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.851 9.593 8.903 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.774 9.849 7.405 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -1.946 10.441 9.535 1.00 0.00 C ATOM 0 H LEU A 62 1.045 7.536 10.493 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.680 8.366 11.227 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.390 7.521 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.100 7.856 8.797 1.00 0.00 H new ATOM 0 HG LEU A 62 0.106 9.870 9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.588 10.908 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.037 9.260 6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.716 9.562 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.752 11.495 9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.911 10.162 9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.959 10.274 10.612 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.600 5.324 10.744 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.914 3.916 10.947 1.00 0.00 C ATOM 1032 C ALA A 63 0.346 3.140 11.297 1.00 0.00 C ATOM 1033 O ALA A 63 1.382 3.300 10.649 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.567 3.324 9.709 1.00 0.00 C ATOM 0 H ALA A 63 0.382 5.508 10.538 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.618 3.840 11.776 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.792 2.272 9.884 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.490 3.862 9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.888 3.413 8.861 1.00 0.00 H new ATOM 1040 N ASP A 64 0.246 2.299 12.315 1.00 0.00 N ATOM 1041 CA ASP A 64 1.390 1.543 12.809 1.00 0.00 C ATOM 1042 C ASP A 64 1.841 0.503 11.789 1.00 0.00 C ATOM 1043 O ASP A 64 1.028 -0.034 11.032 1.00 0.00 O ATOM 1044 CB ASP A 64 1.044 0.853 14.133 1.00 0.00 C ATOM 1045 CG ASP A 64 0.654 1.834 15.218 1.00 0.00 C ATOM 1046 OD1 ASP A 64 1.555 2.376 15.890 1.00 0.00 O ATOM 1047 OD2 ASP A 64 -0.560 2.069 15.405 1.00 0.00 O ATOM 0 H ASP A 64 -0.622 2.121 12.820 1.00 0.00 H new ATOM 0 HA ASP A 64 2.208 2.245 12.974 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.225 0.153 13.970 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.901 0.268 14.468 1.00 0.00 H new ATOM 1052 N PRO A 65 3.150 0.223 11.736 1.00 0.00 N ATOM 1053 CA PRO A 65 3.707 -0.798 10.855 1.00 0.00 C ATOM 1054 C PRO A 65 3.478 -2.205 11.401 1.00 0.00 C ATOM 1055 O PRO A 65 3.252 -2.391 12.597 1.00 0.00 O ATOM 1056 CB PRO A 65 5.212 -0.480 10.820 1.00 0.00 C ATOM 1057 CG PRO A 65 5.392 0.774 11.618 1.00 0.00 C ATOM 1058 CD PRO A 65 4.198 0.882 12.519 1.00 0.00 C ATOM 0 HA PRO A 65 3.239 -0.782 9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.793 -1.299 11.245 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.557 -0.342 9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.314 0.735 12.199 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.464 1.643 10.964 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.364 0.385 13.475 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.948 1.920 12.739 1.00 0.00 H new ATOM 1066 N ALA A 66 3.538 -3.193 10.519 1.00 0.00 N ATOM 1067 CA ALA A 66 3.369 -4.583 10.920 1.00 0.00 C ATOM 1068 C ALA A 66 4.715 -5.205 11.267 1.00 0.00 C ATOM 1069 O ALA A 66 4.788 -6.300 11.822 1.00 0.00 O ATOM 1070 CB ALA A 66 2.704 -5.370 9.807 1.00 0.00 C ATOM 0 H ALA A 66 3.702 -3.058 9.521 1.00 0.00 H new ATOM 0 HA ALA A 66 2.733 -4.614 11.805 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.583 -6.408 10.118 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.726 -4.939 9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.324 -5.329 8.912 1.00 0.00 H new ATOM 1076 N SER A 67 5.768 -4.489 10.920 1.00 0.00 N ATOM 1077 CA SER A 67 7.128 -4.940 11.147 1.00 0.00 C ATOM 1078 C SER A 67 8.052 -3.741 11.208 1.00 0.00 C ATOM 1079 O SER A 67 7.973 -2.918 12.120 1.00 0.00 O ATOM 1080 CB SER A 67 7.543 -5.925 10.041 1.00 0.00 C ATOM 1081 OG SER A 67 8.846 -6.438 10.252 1.00 0.00 O ATOM 0 H SER A 67 5.704 -3.575 10.471 1.00 0.00 H new ATOM 0 HA SER A 67 7.194 -5.467 12.099 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.830 -6.749 10.003 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.503 -5.423 9.074 1.00 0.00 H new ATOM 0 HG SER A 67 9.073 -7.061 9.530 1.00 0.00 H new ATOM 1087 N ASP A 68 8.883 -3.648 10.216 1.00 0.00 N ATOM 1088 CA ASP A 68 9.804 -2.528 10.057 1.00 0.00 C ATOM 1089 C ASP A 68 10.228 -2.414 8.608 1.00 0.00 C ATOM 1090 O ASP A 68 9.840 -1.486 7.902 1.00 0.00 O ATOM 1091 CB ASP A 68 11.054 -2.728 10.916 1.00 0.00 C ATOM 1092 CG ASP A 68 11.888 -1.468 11.024 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.592 -0.626 11.899 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.844 -1.310 10.243 1.00 0.00 O ATOM 0 H ASP A 68 8.954 -4.348 9.477 1.00 0.00 H new ATOM 0 HA ASP A 68 9.290 -1.620 10.373 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.758 -3.051 11.914 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.661 -3.527 10.489 1.00 0.00 H new ATOM 1099 N ILE A 69 11.006 -3.383 8.170 1.00 0.00 N ATOM 1100 CA ILE A 69 11.500 -3.421 6.806 1.00 0.00 C ATOM 1101 C ILE A 69 11.379 -4.827 6.236 1.00 0.00 C ATOM 1102 O ILE A 69 11.746 -5.815 6.876 1.00 0.00 O ATOM 1103 CB ILE A 69 12.969 -2.962 6.720 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.742 -3.540 7.899 1.00 0.00 C ATOM 1105 CG2 ILE A 69 13.058 -1.443 6.711 1.00 0.00 C ATOM 1106 CD1 ILE A 69 15.238 -3.310 7.834 1.00 0.00 C ATOM 0 H ILE A 69 11.314 -4.166 8.747 1.00 0.00 H new ATOM 0 HA ILE A 69 10.889 -2.733 6.222 1.00 0.00 H new ATOM 0 HB ILE A 69 13.406 -3.325 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.358 -3.102 8.820 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.553 -4.612 7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.103 -1.140 6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.516 -1.052 5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.619 -1.047 7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.713 -3.752 8.710 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.638 -3.773 6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.441 -2.239 7.813 1.00 0.00 H new ATOM 1118 N LYS A 70 10.845 -4.897 5.042 1.00 0.00 N ATOM 1119 CA LYS A 70 10.654 -6.160 4.344 1.00 0.00 C ATOM 1120 C LYS A 70 11.562 -6.208 3.122 1.00 0.00 C ATOM 1121 O LYS A 70 11.455 -5.360 2.229 1.00 0.00 O ATOM 1122 CB LYS A 70 9.186 -6.321 3.927 1.00 0.00 C ATOM 1123 CG LYS A 70 8.877 -7.652 3.258 1.00 0.00 C ATOM 1124 CD LYS A 70 7.409 -7.756 2.872 1.00 0.00 C ATOM 1125 CE LYS A 70 7.101 -9.080 2.192 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.217 -10.237 3.121 1.00 0.00 N ATOM 0 H LYS A 70 10.527 -4.081 4.519 1.00 0.00 H new ATOM 0 HA LYS A 70 10.912 -6.982 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.554 -6.214 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.922 -5.513 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.497 -7.766 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.135 -8.468 3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.790 -7.651 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.149 -6.934 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.092 -9.048 1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.783 -9.222 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.884 -11.099 2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.211 -10.358 3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.637 -10.063 3.967 1.00 0.00 H new ATOM 1140 N THR A 71 12.454 -7.188 3.086 1.00 0.00 N ATOM 1141 CA THR A 71 13.462 -7.259 2.041 1.00 0.00 C ATOM 1142 C THR A 71 12.880 -7.746 0.716 1.00 0.00 C ATOM 1143 O THR A 71 12.520 -8.911 0.545 1.00 0.00 O ATOM 1144 CB THR A 71 14.662 -8.111 2.472 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.229 -9.368 3.011 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.486 -7.358 3.505 1.00 0.00 C ATOM 0 H THR A 71 12.499 -7.944 3.769 1.00 0.00 H new ATOM 0 HA THR A 71 13.821 -6.243 1.878 1.00 0.00 H new ATOM 0 HB THR A 71 15.277 -8.309 1.594 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.896 -10.057 2.810 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.337 -7.969 3.807 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.845 -6.424 3.073 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.868 -7.141 4.376 1.00 0.00 H new ATOM 1154 N CYS A 72 12.768 -6.797 -0.190 1.00 0.00 N ATOM 1155 CA CYS A 72 12.078 -6.961 -1.452 1.00 0.00 C ATOM 1156 C CYS A 72 12.910 -7.709 -2.486 1.00 0.00 C ATOM 1157 O CYS A 72 14.125 -7.512 -2.582 1.00 0.00 O ATOM 1158 CB CYS A 72 11.721 -5.587 -1.990 1.00 0.00 C ATOM 1159 SG CYS A 72 11.181 -4.428 -0.714 1.00 0.00 S ATOM 0 H CYS A 72 13.165 -5.866 -0.065 1.00 0.00 H new ATOM 0 HA CYS A 72 11.185 -7.559 -1.269 1.00 0.00 H new ATOM 0 HB2 CYS A 72 12.588 -5.171 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.930 -5.691 -2.733 1.00 0.00 H new ATOM 0 HG CYS A 72 11.317 -4.977 0.457 1.00 0.00 H new ATOM 1165 N ASP A 73 12.246 -8.532 -3.282 1.00 0.00 N ATOM 1166 CA ASP A 73 12.863 -9.097 -4.471 1.00 0.00 C ATOM 1167 C ASP A 73 12.360 -8.355 -5.709 1.00 0.00 C ATOM 1168 O ASP A 73 13.112 -8.111 -6.651 1.00 0.00 O ATOM 1169 CB ASP A 73 12.557 -10.595 -4.589 1.00 0.00 C ATOM 1170 CG ASP A 73 11.096 -10.875 -4.881 1.00 0.00 C ATOM 1171 OD1 ASP A 73 10.235 -10.478 -4.073 1.00 0.00 O ATOM 1172 OD2 ASP A 73 10.799 -11.490 -5.922 1.00 0.00 O ATOM 0 H ASP A 73 11.281 -8.823 -3.126 1.00 0.00 H new ATOM 0 HA ASP A 73 13.944 -8.980 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.170 -11.025 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.839 -11.093 -3.661 1.00 0.00 H new ATOM 1177 N HIS A 74 11.081 -7.975 -5.688 1.00 0.00 N ATOM 1178 CA HIS A 74 10.464 -7.281 -6.817 1.00 0.00 C ATOM 1179 C HIS A 74 10.377 -5.777 -6.587 1.00 0.00 C ATOM 1180 O HIS A 74 10.640 -4.988 -7.494 1.00 0.00 O ATOM 1181 CB HIS A 74 9.059 -7.823 -7.085 1.00 0.00 C ATOM 1182 CG HIS A 74 9.033 -9.178 -7.721 1.00 0.00 C ATOM 1183 ND1 HIS A 74 7.955 -10.030 -7.617 1.00 0.00 N ATOM 1184 CD2 HIS A 74 9.943 -9.817 -8.494 1.00 0.00 C ATOM 1185 CE1 HIS A 74 8.203 -11.134 -8.296 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.400 -11.030 -8.840 1.00 0.00 N ATOM 0 H HIS A 74 10.453 -8.137 -4.901 1.00 0.00 H new ATOM 0 HA HIS A 74 11.103 -7.463 -7.681 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.513 -7.866 -6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.528 -7.122 -7.729 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.914 -9.443 -8.784 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.538 -11.980 -8.390 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.849 -11.736 -9.423 1.00 0.00 H new ATOM 1195 N TYR A 75 10.011 -5.376 -5.377 1.00 0.00 N ATOM 1196 CA TYR A 75 9.769 -3.965 -5.094 1.00 0.00 C ATOM 1197 C TYR A 75 11.093 -3.222 -4.962 1.00 0.00 C ATOM 1198 O TYR A 75 11.732 -3.273 -3.915 1.00 0.00 O ATOM 1199 CB TYR A 75 8.941 -3.777 -3.811 1.00 0.00 C ATOM 1200 CG TYR A 75 8.289 -5.036 -3.278 1.00 0.00 C ATOM 1201 CD1 TYR A 75 7.464 -5.814 -4.072 1.00 0.00 C ATOM 1202 CD2 TYR A 75 8.524 -5.452 -1.978 1.00 0.00 C ATOM 1203 CE1 TYR A 75 6.891 -6.967 -3.581 1.00 0.00 C ATOM 1204 CE2 TYR A 75 7.961 -6.604 -1.479 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.143 -7.363 -2.288 1.00 0.00 C ATOM 1206 OH TYR A 75 6.578 -8.521 -1.810 1.00 0.00 O ATOM 0 H TYR A 75 9.876 -6.000 -4.581 1.00 0.00 H new ATOM 0 HA TYR A 75 9.199 -3.555 -5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.588 -3.365 -3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.164 -3.037 -4.003 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.267 -5.513 -5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.164 -4.859 -1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.244 -7.560 -4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.158 -6.911 -0.462 1.00 0.00 H new ATOM 0 HH TYR A 75 6.855 -8.661 -0.880 1.00 0.00 H new ATOM 1216 N GLN A 76 11.511 -2.550 -6.028 1.00 0.00 N ATOM 1217 CA GLN A 76 12.800 -1.877 -6.046 1.00 0.00 C ATOM 1218 C GLN A 76 12.939 -0.858 -4.912 1.00 0.00 C ATOM 1219 O GLN A 76 13.881 -0.943 -4.122 1.00 0.00 O ATOM 1220 CB GLN A 76 13.065 -1.211 -7.401 1.00 0.00 C ATOM 1221 CG GLN A 76 11.869 -0.489 -8.019 1.00 0.00 C ATOM 1222 CD GLN A 76 10.987 -1.405 -8.848 1.00 0.00 C ATOM 1223 OE1 GLN A 76 11.452 -2.389 -9.421 1.00 0.00 O ATOM 1224 NE2 GLN A 76 9.709 -1.076 -8.930 1.00 0.00 N ATOM 0 H GLN A 76 10.974 -2.458 -6.891 1.00 0.00 H new ATOM 0 HA GLN A 76 13.554 -2.648 -5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.879 -0.496 -7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.410 -1.973 -8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.272 -0.040 -7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.228 0.326 -8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.362 -0.252 -8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.070 -1.647 -9.484 1.00 0.00 H new ATOM 1233 N ASN A 77 12.017 0.099 -4.836 1.00 0.00 N ATOM 1234 CA ASN A 77 12.044 1.158 -3.812 1.00 0.00 C ATOM 1235 C ASN A 77 13.235 2.119 -3.960 1.00 0.00 C ATOM 1236 O ASN A 77 13.113 3.283 -3.578 1.00 0.00 O ATOM 1237 CB ASN A 77 12.040 0.568 -2.395 1.00 0.00 C ATOM 1238 CG ASN A 77 10.671 0.095 -1.948 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.882 0.873 -1.413 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.386 -1.183 -2.141 1.00 0.00 N ATOM 0 H ASN A 77 11.228 0.168 -5.479 1.00 0.00 H new ATOM 0 HA ASN A 77 11.133 1.736 -3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.737 -0.269 -2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.404 1.320 -1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.485 -1.555 -1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.068 -1.796 -2.589 1.00 0.00 H new ATOM 1247 N PHE A 78 14.363 1.607 -4.505 1.00 0.00 N ATOM 1248 CA PHE A 78 15.649 2.329 -4.684 1.00 0.00 C ATOM 1249 C PHE A 78 16.733 1.987 -3.629 1.00 0.00 C ATOM 1250 O PHE A 78 17.831 1.600 -4.017 1.00 0.00 O ATOM 1251 CB PHE A 78 15.471 3.853 -4.788 1.00 0.00 C ATOM 1252 CG PHE A 78 16.760 4.598 -5.003 1.00 0.00 C ATOM 1253 CD1 PHE A 78 17.385 4.584 -6.240 1.00 0.00 C ATOM 1254 CD2 PHE A 78 17.352 5.303 -3.965 1.00 0.00 C ATOM 1255 CE1 PHE A 78 18.573 5.260 -6.440 1.00 0.00 C ATOM 1256 CE2 PHE A 78 18.541 5.978 -4.159 1.00 0.00 C ATOM 1257 CZ PHE A 78 19.151 5.957 -5.398 1.00 0.00 C ATOM 0 H PHE A 78 14.407 0.646 -4.845 1.00 0.00 H new ATOM 0 HA PHE A 78 16.017 1.958 -5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 78 14.791 4.075 -5.611 1.00 0.00 H new ATOM 0 HB3 PHE A 78 14.998 4.218 -3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 78 16.938 4.038 -7.057 1.00 0.00 H new ATOM 0 HD2 PHE A 78 16.878 5.324 -2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 78 19.049 5.243 -7.410 1.00 0.00 H new ATOM 0 HE2 PHE A 78 18.993 6.522 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 78 20.080 6.486 -5.552 1.00 0.00 H new ATOM 1267 N PRO A 79 16.468 2.088 -2.303 1.00 0.00 N ATOM 1268 CA PRO A 79 17.516 2.015 -1.253 1.00 0.00 C ATOM 1269 C PRO A 79 18.185 0.645 -1.073 1.00 0.00 C ATOM 1270 O PRO A 79 18.842 0.440 -0.056 1.00 0.00 O ATOM 1271 CB PRO A 79 16.768 2.402 0.027 1.00 0.00 C ATOM 1272 CG PRO A 79 15.520 3.045 -0.449 1.00 0.00 C ATOM 1273 CD PRO A 79 15.159 2.299 -1.684 1.00 0.00 C ATOM 0 HA PRO A 79 18.349 2.664 -1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 79 16.554 1.527 0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.357 3.085 0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 79 14.730 2.979 0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.674 4.104 -0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.657 1.358 -1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.491 2.872 -2.327 1.00 0.00 H new ATOM 1281 N LEU A 80 17.948 -0.274 -2.029 1.00 0.00 N ATOM 1282 CA LEU A 80 18.609 -1.603 -2.121 1.00 0.00 C ATOM 1283 C LEU A 80 19.683 -1.819 -1.043 1.00 0.00 C ATOM 1284 O LEU A 80 20.775 -1.250 -1.109 1.00 0.00 O ATOM 1285 CB LEU A 80 19.203 -1.741 -3.541 1.00 0.00 C ATOM 1286 CG LEU A 80 19.760 -3.104 -3.949 1.00 0.00 C ATOM 1287 CD1 LEU A 80 21.209 -3.246 -3.518 1.00 0.00 C ATOM 1288 CD2 LEU A 80 18.913 -4.223 -3.378 1.00 0.00 C ATOM 0 H LEU A 80 17.276 -0.115 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 80 17.864 -2.378 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.428 -1.468 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.003 -1.008 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 80 19.724 -3.174 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.584 -4.224 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.807 -2.467 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.277 -3.149 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.328 -5.184 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.908 -4.157 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.893 -4.134 -3.752 1.00 0.00 H new ATOM 1300 N TYR A 81 19.347 -2.654 -0.060 1.00 0.00 N ATOM 1301 CA TYR A 81 20.176 -2.851 1.127 1.00 0.00 C ATOM 1302 C TYR A 81 21.549 -3.412 0.756 1.00 0.00 C ATOM 1303 O TYR A 81 21.685 -4.585 0.409 1.00 0.00 O ATOM 1304 CB TYR A 81 19.453 -3.791 2.099 1.00 0.00 C ATOM 1305 CG TYR A 81 19.889 -3.669 3.542 1.00 0.00 C ATOM 1306 CD1 TYR A 81 19.413 -2.637 4.343 1.00 0.00 C ATOM 1307 CD2 TYR A 81 20.756 -4.592 4.111 1.00 0.00 C ATOM 1308 CE1 TYR A 81 19.796 -2.526 5.665 1.00 0.00 C ATOM 1309 CE2 TYR A 81 21.140 -4.487 5.434 1.00 0.00 C ATOM 1310 CZ TYR A 81 20.657 -3.455 6.206 1.00 0.00 C ATOM 1311 OH TYR A 81 21.040 -3.350 7.526 1.00 0.00 O ATOM 0 H TYR A 81 18.493 -3.212 -0.065 1.00 0.00 H new ATOM 0 HA TYR A 81 20.337 -1.886 1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.382 -3.598 2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 81 19.610 -4.819 1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.733 -1.910 3.924 1.00 0.00 H new ATOM 0 HD2 TYR A 81 21.136 -5.405 3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 81 19.422 -1.715 6.272 1.00 0.00 H new ATOM 0 HE2 TYR A 81 21.817 -5.212 5.861 1.00 0.00 H new ATOM 0 HH TYR A 81 21.649 -4.085 7.749 1.00 0.00 H new ATOM 1321 N LEU A 82 22.558 -2.553 0.821 1.00 0.00 N ATOM 1322 CA LEU A 82 23.923 -2.922 0.457 1.00 0.00 C ATOM 1323 C LEU A 82 24.637 -3.569 1.647 1.00 0.00 C ATOM 1324 O LEU A 82 25.626 -4.281 1.481 1.00 0.00 O ATOM 1325 CB LEU A 82 24.679 -1.667 -0.002 1.00 0.00 C ATOM 1326 CG LEU A 82 25.638 -1.844 -1.190 1.00 0.00 C ATOM 1327 CD1 LEU A 82 26.823 -2.724 -0.823 1.00 0.00 C ATOM 1328 CD2 LEU A 82 24.897 -2.420 -2.387 1.00 0.00 C ATOM 0 H LEU A 82 22.456 -1.585 1.126 1.00 0.00 H new ATOM 0 HA LEU A 82 23.896 -3.647 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.947 -0.904 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.250 -1.283 0.844 1.00 0.00 H new ATOM 0 HG LEU A 82 26.026 -0.860 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 82 27.480 -2.828 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 82 27.374 -2.268 -0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 82 26.465 -3.708 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 82 25.589 -2.540 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 82 24.477 -3.390 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 82 24.093 -1.743 -2.677 1.00 0.00 H new ATOM 1340 N GLY A 83 24.116 -3.339 2.846 1.00 0.00 N ATOM 1341 CA GLY A 83 24.762 -3.836 4.050 1.00 0.00 C ATOM 1342 C GLY A 83 24.451 -5.294 4.336 1.00 0.00 C ATOM 1343 O GLY A 83 23.974 -5.635 5.418 1.00 0.00 O ATOM 0 H GLY A 83 23.255 -2.816 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 83 25.841 -3.713 3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 83 24.447 -3.230 4.900 1.00 0.00 H new ATOM 1347 N GLY A 84 24.725 -6.148 3.369 1.00 0.00 N ATOM 1348 CA GLY A 84 24.481 -7.567 3.530 1.00 0.00 C ATOM 1349 C GLY A 84 25.110 -8.373 2.414 1.00 0.00 C ATOM 1350 O GLY A 84 25.581 -7.799 1.430 1.00 0.00 O ATOM 0 H GLY A 84 25.116 -5.884 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 84 24.881 -7.899 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 84 23.407 -7.752 3.552 1.00 0.00 H new ATOM 1354 N GLU A 85 25.131 -9.695 2.562 1.00 0.00 N ATOM 1355 CA GLU A 85 25.669 -10.570 1.527 1.00 0.00 C ATOM 1356 C GLU A 85 24.825 -10.454 0.264 1.00 0.00 C ATOM 1357 O GLU A 85 25.324 -10.102 -0.807 1.00 0.00 O ATOM 1358 CB GLU A 85 25.689 -12.020 2.006 1.00 0.00 C ATOM 1359 CG GLU A 85 26.451 -12.953 1.079 1.00 0.00 C ATOM 1360 CD GLU A 85 26.439 -14.385 1.561 1.00 0.00 C ATOM 1361 OE1 GLU A 85 27.060 -14.668 2.610 1.00 0.00 O ATOM 1362 OE2 GLU A 85 25.818 -15.233 0.892 1.00 0.00 O ATOM 0 H GLU A 85 24.782 -10.182 3.387 1.00 0.00 H new ATOM 0 HA GLU A 85 26.692 -10.263 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 85 26.138 -12.061 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 85 24.664 -12.376 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 85 26.014 -12.905 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 85 27.482 -12.611 0.992 1.00 0.00 H new ATOM 1369 N THR A 86 23.548 -10.765 0.401 1.00 0.00 N ATOM 1370 CA THR A 86 22.597 -10.566 -0.670 1.00 0.00 C ATOM 1371 C THR A 86 21.971 -9.190 -0.536 1.00 0.00 C ATOM 1372 O THR A 86 21.463 -8.832 0.527 1.00 0.00 O ATOM 1373 CB THR A 86 21.492 -11.644 -0.653 1.00 0.00 C ATOM 1374 OG1 THR A 86 20.945 -11.770 0.668 1.00 0.00 O ATOM 1375 CG2 THR A 86 22.038 -12.988 -1.107 1.00 0.00 C ATOM 0 H THR A 86 23.147 -11.159 1.252 1.00 0.00 H new ATOM 0 HA THR A 86 23.128 -10.646 -1.618 1.00 0.00 H new ATOM 0 HB THR A 86 20.707 -11.335 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 86 20.058 -11.354 0.696 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.240 -13.731 -1.086 1.00 0.00 H new ATOM 0 HG22 THR A 86 22.425 -12.899 -2.122 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.841 -13.299 -0.439 1.00 0.00 H new ATOM 1383 N HIS A 87 22.033 -8.402 -1.591 1.00 0.00 N ATOM 1384 CA HIS A 87 21.475 -7.069 -1.543 1.00 0.00 C ATOM 1385 C HIS A 87 20.040 -7.108 -2.015 1.00 0.00 C ATOM 1386 O HIS A 87 19.760 -7.282 -3.202 1.00 0.00 O ATOM 1387 CB HIS A 87 22.287 -6.073 -2.374 1.00 0.00 C ATOM 1388 CG HIS A 87 23.765 -6.185 -2.165 1.00 0.00 C ATOM 1389 ND1 HIS A 87 24.666 -6.372 -3.192 1.00 0.00 N ATOM 1390 CD2 HIS A 87 24.501 -6.118 -1.031 1.00 0.00 C ATOM 1391 CE1 HIS A 87 25.888 -6.412 -2.697 1.00 0.00 C ATOM 1392 NE2 HIS A 87 25.815 -6.261 -1.392 1.00 0.00 N ATOM 0 H HIS A 87 22.459 -8.659 -2.481 1.00 0.00 H new ATOM 0 HA HIS A 87 21.513 -6.724 -0.510 1.00 0.00 H new ATOM 0 HB2 HIS A 87 22.065 -6.227 -3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 87 21.969 -5.060 -2.126 1.00 0.00 H new ATOM 0 HD2 HIS A 87 24.123 -5.978 -0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 87 26.796 -6.546 -3.267 1.00 0.00 H new ATOM 0 HE2 HIS A 87 26.609 -6.252 -0.752 1.00 0.00 H new ATOM 1401 N GLU A 88 19.142 -6.960 -1.072 1.00 0.00 N ATOM 1402 CA GLU A 88 17.725 -6.998 -1.338 1.00 0.00 C ATOM 1403 C GLU A 88 17.113 -5.683 -0.927 1.00 0.00 C ATOM 1404 O GLU A 88 17.570 -5.038 0.014 1.00 0.00 O ATOM 1405 CB GLU A 88 17.081 -8.192 -0.624 1.00 0.00 C ATOM 1406 CG GLU A 88 17.723 -8.531 0.713 1.00 0.00 C ATOM 1407 CD GLU A 88 17.582 -10.000 1.060 1.00 0.00 C ATOM 1408 OE1 GLU A 88 18.367 -10.817 0.521 1.00 0.00 O ATOM 1409 OE2 GLU A 88 16.680 -10.351 1.851 1.00 0.00 O ATOM 0 H GLU A 88 19.376 -6.809 -0.091 1.00 0.00 H new ATOM 0 HA GLU A 88 17.544 -7.136 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.024 -7.980 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.137 -9.065 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.780 -8.266 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.265 -7.929 1.497 1.00 0.00 H new ATOM 1416 N HIS A 89 16.118 -5.259 -1.675 1.00 0.00 N ATOM 1417 CA HIS A 89 15.499 -3.968 -1.446 1.00 0.00 C ATOM 1418 C HIS A 89 14.722 -4.034 -0.142 1.00 0.00 C ATOM 1419 O HIS A 89 14.630 -5.097 0.454 1.00 0.00 O ATOM 1420 CB HIS A 89 14.575 -3.617 -2.615 1.00 0.00 C ATOM 1421 CG HIS A 89 15.219 -3.770 -3.965 1.00 0.00 C ATOM 1422 ND1 HIS A 89 15.834 -2.732 -4.628 1.00 0.00 N ATOM 1423 CD2 HIS A 89 15.343 -4.851 -4.774 1.00 0.00 C ATOM 1424 CE1 HIS A 89 16.308 -3.165 -5.780 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.025 -4.445 -5.894 1.00 0.00 N ATOM 0 H HIS A 89 15.718 -5.789 -2.449 1.00 0.00 H new ATOM 0 HA HIS A 89 16.259 -3.190 -1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.691 -4.253 -2.571 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.234 -2.588 -2.500 1.00 0.00 H new ATOM 0 HD1 HIS A 89 15.911 -1.776 -4.282 1.00 0.00 H new ATOM 0 HD2 HIS A 89 14.974 -5.846 -4.574 1.00 0.00 H new ATOM 0 HE1 HIS A 89 16.839 -2.569 -6.508 1.00 0.00 H new ATOM 1434 N TYR A 90 14.171 -2.936 0.326 1.00 0.00 N ATOM 1435 CA TYR A 90 13.363 -3.009 1.529 1.00 0.00 C ATOM 1436 C TYR A 90 12.217 -2.018 1.498 1.00 0.00 C ATOM 1437 O TYR A 90 12.386 -0.847 1.151 1.00 0.00 O ATOM 1438 CB TYR A 90 14.212 -2.839 2.799 1.00 0.00 C ATOM 1439 CG TYR A 90 14.923 -1.513 2.928 1.00 0.00 C ATOM 1440 CD1 TYR A 90 16.184 -1.319 2.377 1.00 0.00 C ATOM 1441 CD2 TYR A 90 14.340 -0.461 3.620 1.00 0.00 C ATOM 1442 CE1 TYR A 90 16.840 -0.113 2.512 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.992 0.745 3.761 1.00 0.00 C ATOM 1444 CZ TYR A 90 16.240 0.915 3.203 1.00 0.00 C ATOM 1445 OH TYR A 90 16.899 2.116 3.347 1.00 0.00 O ATOM 0 H TYR A 90 14.261 -2.009 -0.090 1.00 0.00 H new ATOM 0 HA TYR A 90 12.930 -4.009 1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.567 -2.973 3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.956 -3.635 2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.657 -2.124 1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.360 -0.589 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.819 0.024 2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.527 1.553 4.306 1.00 0.00 H new ATOM 0 HH TYR A 90 16.340 2.737 3.859 1.00 0.00 H new ATOM 1455 N GLY A 91 11.044 -2.525 1.826 1.00 0.00 N ATOM 1456 CA GLY A 91 9.870 -1.696 1.942 1.00 0.00 C ATOM 1457 C GLY A 91 9.323 -1.751 3.347 1.00 0.00 C ATOM 1458 O GLY A 91 9.722 -2.612 4.127 1.00 0.00 O ATOM 0 H GLY A 91 10.883 -3.514 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.117 -0.667 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.110 -2.030 1.236 1.00 0.00 H new ATOM 1462 N ILE A 92 8.418 -0.850 3.684 1.00 0.00 N ATOM 1463 CA ILE A 92 7.892 -0.794 5.038 1.00 0.00 C ATOM 1464 C ILE A 92 6.481 -1.374 5.095 1.00 0.00 C ATOM 1465 O ILE A 92 5.540 -0.819 4.517 1.00 0.00 O ATOM 1466 CB ILE A 92 7.895 0.648 5.575 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.265 1.282 5.330 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.558 0.661 7.062 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.349 2.728 5.748 1.00 0.00 C ATOM 0 H ILE A 92 8.034 -0.153 3.046 1.00 0.00 H new ATOM 0 HA ILE A 92 8.543 -1.397 5.671 1.00 0.00 H new ATOM 0 HB ILE A 92 7.136 1.228 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.021 0.712 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.506 1.205 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.564 1.688 7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.570 0.227 7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.299 0.077 7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.350 3.108 5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.618 3.312 5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.140 2.811 6.815 1.00 0.00 H new ATOM 1481 N PRO A 93 6.332 -2.519 5.776 1.00 0.00 N ATOM 1482 CA PRO A 93 5.051 -3.223 5.900 1.00 0.00 C ATOM 1483 C PRO A 93 4.028 -2.486 6.760 1.00 0.00 C ATOM 1484 O PRO A 93 4.286 -2.163 7.922 1.00 0.00 O ATOM 1485 CB PRO A 93 5.428 -4.549 6.561 1.00 0.00 C ATOM 1486 CG PRO A 93 6.708 -4.277 7.270 1.00 0.00 C ATOM 1487 CD PRO A 93 7.422 -3.232 6.464 1.00 0.00 C ATOM 0 HA PRO A 93 4.571 -3.325 4.927 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.655 -4.878 7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.548 -5.339 5.820 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.523 -3.926 8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.308 -5.183 7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.001 -2.562 7.100 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.119 -3.679 5.755 1.00 0.00 H new ATOM 1495 N HIS A 94 2.870 -2.224 6.174 1.00 0.00 N ATOM 1496 CA HIS A 94 1.743 -1.633 6.887 1.00 0.00 C ATOM 1497 C HIS A 94 0.525 -2.521 6.689 1.00 0.00 C ATOM 1498 O HIS A 94 0.572 -3.473 5.908 1.00 0.00 O ATOM 1499 CB HIS A 94 1.433 -0.221 6.369 1.00 0.00 C ATOM 1500 CG HIS A 94 2.544 0.765 6.555 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.716 0.710 5.841 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.653 1.842 7.370 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.499 1.703 6.203 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.881 2.408 7.130 1.00 0.00 N ATOM 0 H HIS A 94 2.683 -2.415 5.190 1.00 0.00 H new ATOM 0 HA HIS A 94 1.998 -1.556 7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.192 -0.282 5.308 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.544 0.152 6.877 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.944 0.007 5.138 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.913 2.190 8.076 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.483 1.907 5.807 1.00 0.00 H new ATOM 0 HE2 HIS A 94 4.254 3.237 7.593 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.566 -2.195 7.355 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.761 -2.999 7.247 1.00 0.00 C ATOM 1515 C GLY A 95 -2.905 -2.403 8.027 1.00 0.00 C ATOM 1516 O GLY A 95 -2.696 -1.545 8.885 1.00 0.00 O ATOM 0 H GLY A 95 -0.647 -1.386 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.044 -3.091 6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.557 -4.006 7.612 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.114 -2.839 7.717 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.310 -2.292 8.339 1.00 0.00 C ATOM 1522 C PHE A 96 -6.322 -3.389 8.600 1.00 0.00 C ATOM 1523 O PHE A 96 -6.051 -4.565 8.385 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.955 -1.231 7.438 1.00 0.00 C ATOM 1525 CG PHE A 96 -5.168 0.037 7.325 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -5.351 1.060 8.238 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.251 0.209 6.302 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -4.631 2.231 8.136 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.529 1.379 6.194 1.00 0.00 C ATOM 1530 CZ PHE A 96 -3.720 2.390 7.113 1.00 0.00 C ATOM 0 H PHE A 96 -4.295 -3.575 7.034 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.012 -1.835 9.282 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.092 -1.651 6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.947 -0.997 7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.065 0.940 9.039 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.100 -0.581 5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -4.780 3.022 8.856 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.816 1.503 5.392 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.155 3.307 7.031 1.00 0.00 H new ATOM 1540 N SER A 97 -7.505 -2.978 9.008 1.00 0.00 N ATOM 1541 CA SER A 97 -8.607 -3.890 9.240 1.00 0.00 C ATOM 1542 C SER A 97 -9.922 -3.144 9.016 1.00 0.00 C ATOM 1543 O SER A 97 -10.994 -3.573 9.450 1.00 0.00 O ATOM 1544 CB SER A 97 -8.529 -4.449 10.664 1.00 0.00 C ATOM 1545 OG SER A 97 -8.294 -3.418 11.612 1.00 0.00 O ATOM 0 H SER A 97 -7.730 -2.000 9.189 1.00 0.00 H new ATOM 0 HA SER A 97 -8.552 -4.729 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.459 -4.963 10.906 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.731 -5.189 10.723 1.00 0.00 H new ATOM 0 HG SER A 97 -8.251 -3.804 12.512 1.00 0.00 H new ATOM 1551 N SER A 98 -9.803 -2.023 8.302 1.00 0.00 N ATOM 1552 CA SER A 98 -10.933 -1.191 7.921 1.00 0.00 C ATOM 1553 C SER A 98 -10.634 -0.561 6.562 1.00 0.00 C ATOM 1554 O SER A 98 -9.682 0.215 6.427 1.00 0.00 O ATOM 1555 CB SER A 98 -11.179 -0.091 8.962 1.00 0.00 C ATOM 1556 OG SER A 98 -11.258 -0.623 10.277 1.00 0.00 O ATOM 0 H SER A 98 -8.906 -1.668 7.971 1.00 0.00 H new ATOM 0 HA SER A 98 -11.831 -1.807 7.865 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.375 0.643 8.914 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.104 0.434 8.725 1.00 0.00 H new ATOM 0 HG SER A 98 -11.414 0.104 10.915 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.421 -0.913 5.557 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.192 -0.430 4.200 1.00 0.00 C ATOM 1564 C ARG A 99 -11.269 1.089 4.125 1.00 0.00 C ATOM 1565 O ARG A 99 -10.434 1.732 3.489 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.194 -1.062 3.240 1.00 0.00 C ATOM 1567 CG ARG A 99 -11.991 -2.555 3.081 1.00 0.00 C ATOM 1568 CD ARG A 99 -12.910 -3.135 2.027 1.00 0.00 C ATOM 1569 NE ARG A 99 -14.294 -3.263 2.485 1.00 0.00 N ATOM 1570 CZ ARG A 99 -14.925 -4.430 2.614 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -14.252 -5.569 2.504 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -16.220 -4.458 2.907 1.00 0.00 N ATOM 0 H ARG A 99 -12.226 -1.532 5.654 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.184 -0.724 3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.205 -0.874 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.109 -0.582 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.954 -2.755 2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.172 -3.051 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.883 -2.501 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.539 -4.116 1.729 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.804 -2.411 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.249 -5.553 2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.738 -6.460 2.603 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.733 -3.586 3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.701 -5.352 3.005 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.270 1.653 4.779 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.436 3.105 4.824 1.00 0.00 C ATOM 1588 C ILE A 100 -11.223 3.792 5.474 1.00 0.00 C ATOM 1589 O ILE A 100 -10.893 4.932 5.143 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.728 3.507 5.572 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -14.010 4.999 5.400 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.620 3.162 7.044 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -14.210 5.408 3.960 1.00 0.00 C ATOM 0 H ILE A 100 -12.983 1.131 5.288 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.514 3.443 3.791 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.557 2.946 5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.900 5.262 5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.181 5.569 5.820 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.539 3.452 7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.466 2.089 7.156 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.777 3.697 7.482 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.406 6.479 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.312 5.176 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -15.057 4.864 3.542 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.549 3.093 6.386 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.368 3.650 7.038 1.00 0.00 C ATOM 1607 C ALA A 101 -8.226 3.749 6.045 1.00 0.00 C ATOM 1608 O ALA A 101 -7.458 4.704 6.068 1.00 0.00 O ATOM 1609 CB ALA A 101 -8.943 2.817 8.237 1.00 0.00 C ATOM 0 H ALA A 101 -10.798 2.151 6.687 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.625 4.646 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.061 3.263 8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.754 2.786 8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.709 1.803 7.911 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.123 2.757 5.171 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.128 2.786 4.109 1.00 0.00 C ATOM 1617 C LEU A 102 -7.411 3.954 3.168 1.00 0.00 C ATOM 1618 O LEU A 102 -6.490 4.606 2.673 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.127 1.463 3.336 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.109 1.372 2.194 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.697 1.601 2.710 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.210 0.021 1.501 1.00 0.00 C ATOM 0 H LEU A 102 -8.714 1.926 5.176 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.142 2.920 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.934 0.651 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.124 1.300 2.926 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.337 2.153 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.991 1.532 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.631 2.591 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.455 0.845 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.481 -0.029 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.009 -0.773 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.213 -0.105 1.093 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.694 4.218 2.945 1.00 0.00 N ATOM 1635 CA GLU A 103 -9.123 5.350 2.136 1.00 0.00 C ATOM 1636 C GLU A 103 -8.626 6.653 2.759 1.00 0.00 C ATOM 1637 O GLU A 103 -7.993 7.477 2.099 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.650 5.376 2.033 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.157 6.112 0.804 1.00 0.00 C ATOM 1640 CD GLU A 103 -12.665 6.076 0.682 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -13.201 5.055 0.206 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -13.317 7.070 1.061 1.00 0.00 O ATOM 0 H GLU A 103 -9.460 3.657 3.318 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.702 5.247 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.023 4.352 2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.059 5.849 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.825 7.149 0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.714 5.669 -0.088 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.904 6.810 4.048 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.488 7.989 4.801 1.00 0.00 C ATOM 1651 C ARG A 104 -6.969 8.037 4.954 1.00 0.00 C ATOM 1652 O ARG A 104 -6.386 9.109 5.115 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.150 7.985 6.181 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.649 8.238 6.136 1.00 0.00 C ATOM 1655 CD ARG A 104 -11.319 7.927 7.466 1.00 0.00 C ATOM 1656 NE ARG A 104 -10.629 8.537 8.604 1.00 0.00 N ATOM 1657 CZ ARG A 104 -10.961 9.710 9.143 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -11.942 10.437 8.626 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -10.308 10.164 10.202 1.00 0.00 N ATOM 0 H ARG A 104 -9.422 6.126 4.600 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.803 8.874 4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.966 7.024 6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.680 8.747 6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.833 9.279 5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.097 7.626 5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.350 8.280 7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.356 6.847 7.606 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.842 8.031 9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.450 10.100 7.808 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.188 11.333 9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.549 9.616 10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.564 11.062 10.613 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.334 6.875 4.908 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.882 6.796 4.988 1.00 0.00 C ATOM 1675 C TYR A 105 -4.259 7.397 3.737 1.00 0.00 C ATOM 1676 O TYR A 105 -3.372 8.247 3.819 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.433 5.346 5.155 1.00 0.00 C ATOM 1678 CG TYR A 105 -2.975 5.209 5.526 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -2.544 5.549 6.797 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -2.035 4.750 4.611 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -1.216 5.433 7.153 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -0.702 4.630 4.960 1.00 0.00 C ATOM 1683 CZ TYR A 105 -0.299 4.976 6.233 1.00 0.00 C ATOM 1684 OH TYR A 105 1.025 4.862 6.593 1.00 0.00 O ATOM 0 H TYR A 105 -6.801 5.973 4.816 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.550 7.363 5.858 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -5.042 4.871 5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.616 4.807 4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.259 5.911 7.521 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.350 4.483 3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.897 5.700 8.150 1.00 0.00 H new ATOM 0 HE2 TYR A 105 0.018 4.268 4.241 1.00 0.00 H new ATOM 0 HH TYR A 105 1.157 5.253 7.482 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.733 6.944 2.582 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.320 7.507 1.303 1.00 0.00 C ATOM 1696 C LEU A 106 -4.686 8.983 1.242 1.00 0.00 C ATOM 1697 O LEU A 106 -3.985 9.788 0.637 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.988 6.756 0.148 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.707 5.252 0.095 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.488 4.607 -1.039 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.218 4.988 -0.070 1.00 0.00 C ATOM 0 H LEU A 106 -5.408 6.183 2.506 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.239 7.402 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.066 6.905 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.662 7.203 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.031 4.810 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.278 3.538 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.555 4.763 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.192 5.057 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.041 3.913 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.868 5.444 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.677 5.417 0.773 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.804 9.317 1.870 1.00 0.00 N ATOM 1714 CA ASN A 107 -6.264 10.696 1.985 1.00 0.00 C ATOM 1715 C ASN A 107 -5.249 11.536 2.730 1.00 0.00 C ATOM 1716 O ASN A 107 -4.835 12.586 2.258 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.594 10.721 2.736 1.00 0.00 C ATOM 1718 CG ASN A 107 -8.232 12.093 2.797 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -7.984 12.868 3.721 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -9.074 12.393 1.826 1.00 0.00 N ATOM 0 H ASN A 107 -6.421 8.638 2.316 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.392 11.110 0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.286 10.029 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.435 10.358 3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.548 13.296 1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.251 11.722 1.079 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.869 11.070 3.900 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.863 11.760 4.677 1.00 0.00 C ATOM 1729 C GLY A 108 -2.502 11.753 4.004 1.00 0.00 C ATOM 1730 O GLY A 108 -2.096 12.746 3.405 1.00 0.00 O ATOM 0 H GLY A 108 -5.238 10.223 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -4.178 12.790 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.782 11.292 5.658 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.843 10.603 4.041 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.430 10.491 3.674 1.00 0.00 C ATOM 1736 C LEU A 109 -0.161 10.881 2.218 1.00 0.00 C ATOM 1737 O LEU A 109 0.914 11.388 1.898 1.00 0.00 O ATOM 1738 CB LEU A 109 0.048 9.057 3.921 1.00 0.00 C ATOM 1739 CG LEU A 109 1.554 8.826 3.762 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.335 9.653 4.772 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.883 7.350 3.918 1.00 0.00 C ATOM 0 H LEU A 109 -2.268 9.720 4.325 1.00 0.00 H new ATOM 0 HA LEU A 109 0.123 11.192 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.242 8.765 4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.478 8.394 3.234 1.00 0.00 H new ATOM 0 HG LEU A 109 1.845 9.144 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.402 9.474 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.123 10.711 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.040 9.368 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.957 7.202 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.575 7.011 4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.354 6.777 3.157 1.00 0.00 H new ATOM 1753 N PHE A 110 -1.125 10.646 1.334 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.895 10.865 -0.091 1.00 0.00 C ATOM 1755 C PHE A 110 -1.832 11.917 -0.682 1.00 0.00 C ATOM 1756 O PHE A 110 -1.663 12.316 -1.836 1.00 0.00 O ATOM 1757 CB PHE A 110 -1.051 9.552 -0.865 1.00 0.00 C ATOM 1758 CG PHE A 110 -0.060 8.489 -0.477 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.256 8.564 -0.902 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.448 7.413 0.306 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.169 7.586 -0.552 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.460 6.432 0.660 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.770 6.518 0.230 1.00 0.00 C ATOM 0 H PHE A 110 -2.058 10.310 1.572 1.00 0.00 H new ATOM 0 HA PHE A 110 0.125 11.237 -0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.059 9.168 -0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.949 9.757 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.573 9.396 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.471 7.340 0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.193 7.656 -0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.145 5.600 1.272 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.481 5.753 0.504 1.00 0.00 H new ATOM 1773 N GLY A 111 -2.827 12.358 0.081 1.00 0.00 N ATOM 1774 CA GLY A 111 -3.788 13.291 -0.461 1.00 0.00 C ATOM 1775 C GLY A 111 -3.653 14.709 0.062 1.00 0.00 C ATOM 1776 O GLY A 111 -3.056 15.566 -0.591 1.00 0.00 O ATOM 0 H GLY A 111 -2.981 12.088 1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.688 13.307 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.792 12.929 -0.239 1.00 0.00 H new ATOM 1780 N ASP A 112 -4.193 14.953 1.250 1.00 0.00 N ATOM 1781 CA ASP A 112 -4.453 16.316 1.705 1.00 0.00 C ATOM 1782 C ASP A 112 -3.401 16.840 2.649 1.00 0.00 C ATOM 1783 O ASP A 112 -3.283 18.043 2.882 1.00 0.00 O ATOM 1784 CB ASP A 112 -5.808 16.373 2.389 1.00 0.00 C ATOM 1785 CG ASP A 112 -6.528 17.694 2.188 1.00 0.00 C ATOM 1786 OD1 ASP A 112 -5.864 18.720 1.922 1.00 0.00 O ATOM 1787 OD2 ASP A 112 -7.773 17.700 2.277 1.00 0.00 O ATOM 0 H ASP A 112 -4.459 14.227 1.916 1.00 0.00 H new ATOM 0 HA ASP A 112 -4.434 16.951 0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -6.433 15.565 2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.676 16.198 3.457 1.00 0.00 H new TER 1792 ASP A 112