USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 931 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 22 TYR OH : rot 176:sc= 0.261 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.414 K(o=1.8,f=-3!) USER MOD Set 1.3: A 105 SER OG : rot -153:sc= 0.754 USER MOD Set 1.4: A 122 ASN : amide:sc= 1.15 K(o=1.8,f=-2.6) USER MOD Set 2.1: A 89 HIS : no HD1:sc= 0.787 K(o=2.1,f=-4.2!) USER MOD Set 2.2: A 119 THR OG1 : rot 65:sc= 1.27 USER MOD Set 3.1: A 82 GLN : amide:sc= 0.335 K(o=1.2,f=-3.6!) USER MOD Set 3.2: A 83 SER OG : rot 180:sc= 0.0235 USER MOD Set 3.3: A 84 GLN : amide:sc= 0.865 K(o=1.2,f=-0.41) USER MOD Set 4.1: A 64 MET CE :methyl -159:sc= -0.0772 (180deg=-0.269) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.1 K(o=1,f=-0.77) USER MOD Set 5.1: A 28 HIS : no HE2:sc= 1.43 K(o=2,f=-11!) USER MOD Set 5.2: A 40 SER OG : rot -174:sc= 0.589 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.116 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00129 USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0.981) USER MOD Single : A 29 SER OG : rot -150:sc= 0.121 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 137:sc= 2.17 (180deg=0.753) USER MOD Single : A 47 TYR OH : rot 171:sc= 1.07 USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 2.2 (180deg=2.19) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -153:sc= 0.163 (180deg=0.0182) USER MOD Single : A 61 SER OG : rot -78:sc= 0.37 USER MOD Single : A 65 GLN : amide:sc= 0.541 K(o=0.54,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -140:sc= -0.136 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.33 USER MOD Single : A 73 CYS SG : rot 138:sc= 0.916 USER MOD Single : A 80 SER OG : rot -105:sc= 0.525 USER MOD Single : A 81 HIS : no HE2:sc= 0.147 K(o=0.15,f=-5.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 46:sc= 1.35 USER MOD Single : A 95 MET CE :methyl -171:sc= 0 (180deg=-0.0811) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot -133:sc= 0.0944 USER MOD Single : A 108 LYS NZ :NH3+ 156:sc= 2.13 (180deg=0.451) USER MOD Single : A 110 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.22) USER MOD Single : A 112 LYS NZ :NH3+ 155:sc= 1.27 (180deg=0.59) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.604 -2.741 20.933 1.00 0.00 N ATOM 2 CA MET A 1 -13.225 -3.123 20.542 1.00 0.00 C ATOM 3 C MET A 1 -13.230 -3.853 19.190 1.00 0.00 C ATOM 4 O MET A 1 -14.295 -4.161 18.647 1.00 0.00 O ATOM 5 CB MET A 1 -12.503 -3.932 21.647 1.00 0.00 C ATOM 6 CG MET A 1 -13.019 -5.363 21.863 1.00 0.00 C ATOM 7 SD MET A 1 -12.122 -6.262 23.160 1.00 0.00 S ATOM 8 CE MET A 1 -12.936 -7.878 23.034 1.00 0.00 C ATOM 0 H1 MET A 1 -14.667 -1.706 21.019 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.274 -3.069 20.208 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.840 -3.179 21.846 1.00 0.00 H new ATOM 0 HA MET A 1 -12.647 -2.207 20.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.442 -3.980 21.403 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.590 -3.387 22.587 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.077 -5.325 22.122 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.940 -5.915 20.927 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.505 -8.561 23.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.003 -7.764 23.228 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.791 -8.281 22.032 1.00 0.00 H new ATOM 20 N ALA A 2 -12.046 -4.166 18.655 1.00 0.00 N ATOM 21 CA ALA A 2 -11.849 -4.997 17.471 1.00 0.00 C ATOM 22 C ALA A 2 -10.568 -5.812 17.674 1.00 0.00 C ATOM 23 O ALA A 2 -9.772 -5.500 18.562 1.00 0.00 O ATOM 24 CB ALA A 2 -11.744 -4.107 16.226 1.00 0.00 C ATOM 0 H ALA A 2 -11.167 -3.833 19.052 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.692 -5.673 17.327 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.597 -4.731 15.344 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.662 -3.530 16.113 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.899 -3.427 16.335 1.00 0.00 H new ATOM 30 N VAL A 3 -10.361 -6.837 16.849 1.00 0.00 N ATOM 31 CA VAL A 3 -9.176 -7.687 16.868 1.00 0.00 C ATOM 32 C VAL A 3 -8.943 -8.197 15.438 1.00 0.00 C ATOM 33 O VAL A 3 -9.871 -8.217 14.622 1.00 0.00 O ATOM 34 CB VAL A 3 -9.359 -8.802 17.930 1.00 0.00 C ATOM 35 CG1 VAL A 3 -10.493 -9.786 17.604 1.00 0.00 C ATOM 36 CG2 VAL A 3 -8.060 -9.578 18.196 1.00 0.00 C ATOM 0 H VAL A 3 -11.033 -7.105 16.130 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.278 -7.147 17.167 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.641 -8.268 18.837 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.561 -10.537 18.391 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.437 -9.244 17.537 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.287 -10.276 16.652 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.243 -10.347 18.947 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.720 -10.047 17.272 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.294 -8.892 18.558 1.00 0.00 H new ATOM 46 N ALA A 4 -7.703 -8.578 15.127 1.00 0.00 N ATOM 47 CA ALA A 4 -7.248 -9.042 13.824 1.00 0.00 C ATOM 48 C ALA A 4 -5.947 -9.831 14.027 1.00 0.00 C ATOM 49 O ALA A 4 -5.516 -10.050 15.162 1.00 0.00 O ATOM 50 CB ALA A 4 -7.012 -7.827 12.910 1.00 0.00 C ATOM 0 H ALA A 4 -6.952 -8.569 15.817 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.993 -9.685 13.355 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.671 -8.168 11.932 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.943 -7.271 12.796 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.255 -7.180 13.353 1.00 0.00 H new ATOM 56 N ASP A 5 -5.300 -10.211 12.928 1.00 0.00 N ATOM 57 CA ASP A 5 -3.957 -10.778 12.879 1.00 0.00 C ATOM 58 C ASP A 5 -3.343 -10.295 11.568 1.00 0.00 C ATOM 59 O ASP A 5 -4.073 -10.098 10.593 1.00 0.00 O ATOM 60 CB ASP A 5 -4.011 -12.310 12.910 1.00 0.00 C ATOM 61 CG ASP A 5 -2.604 -12.905 12.748 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.919 -13.117 13.773 1.00 0.00 O ATOM 63 OD2 ASP A 5 -2.179 -13.139 11.597 1.00 0.00 O ATOM 0 H ASP A 5 -5.720 -10.127 12.002 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.366 -10.464 13.739 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.447 -12.645 13.851 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.659 -12.672 12.112 1.00 0.00 H new ATOM 68 N LEU A 6 -2.026 -10.083 11.523 1.00 0.00 N ATOM 69 CA LEU A 6 -1.351 -9.486 10.376 1.00 0.00 C ATOM 70 C LEU A 6 -1.570 -10.267 9.077 1.00 0.00 C ATOM 71 O LEU A 6 -1.586 -9.656 8.006 1.00 0.00 O ATOM 72 CB LEU A 6 0.155 -9.361 10.658 1.00 0.00 C ATOM 73 CG LEU A 6 0.553 -8.452 11.839 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.079 -8.363 11.915 1.00 0.00 C ATOM 75 CD2 LEU A 6 -0.026 -7.038 11.726 1.00 0.00 C ATOM 0 H LEU A 6 -1.396 -10.324 12.289 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.791 -8.499 10.233 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.553 -10.359 10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.642 -8.986 9.758 1.00 0.00 H new ATOM 0 HG LEU A 6 0.140 -8.900 12.743 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.365 -7.721 12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.495 -9.359 12.065 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.466 -7.945 10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.289 -6.446 12.586 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.335 -6.569 10.811 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.114 -7.091 11.701 1.00 0.00 H new ATOM 87 N ALA A 7 -1.758 -11.590 9.140 1.00 0.00 N ATOM 88 CA ALA A 7 -2.033 -12.401 7.965 1.00 0.00 C ATOM 89 C ALA A 7 -3.433 -12.133 7.397 1.00 0.00 C ATOM 90 O ALA A 7 -3.658 -12.340 6.204 1.00 0.00 O ATOM 91 CB ALA A 7 -1.881 -13.887 8.310 1.00 0.00 C ATOM 0 H ALA A 7 -1.722 -12.121 10.010 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.310 -12.127 7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.088 -14.489 7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.863 -14.079 8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.583 -14.151 9.101 1.00 0.00 H new ATOM 97 N LEU A 8 -4.378 -11.696 8.239 1.00 0.00 N ATOM 98 CA LEU A 8 -5.766 -11.460 7.850 1.00 0.00 C ATOM 99 C LEU A 8 -5.938 -10.074 7.226 1.00 0.00 C ATOM 100 O LEU A 8 -6.872 -9.886 6.446 1.00 0.00 O ATOM 101 CB LEU A 8 -6.705 -11.590 9.066 1.00 0.00 C ATOM 102 CG LEU A 8 -6.712 -12.976 9.740 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.601 -12.936 10.989 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.208 -14.083 8.801 1.00 0.00 C ATOM 0 H LEU A 8 -4.193 -11.495 9.222 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.028 -12.216 7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.420 -10.844 9.808 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.720 -11.352 8.749 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.682 -13.210 10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.605 -13.917 11.464 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.213 -12.195 11.688 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.618 -12.667 10.703 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.193 -15.039 9.325 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.226 -13.860 8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.558 -14.138 7.928 1.00 0.00 H new ATOM 116 N ILE A 9 -5.071 -9.107 7.556 1.00 0.00 N ATOM 117 CA ILE A 9 -5.142 -7.761 6.986 1.00 0.00 C ATOM 118 C ILE A 9 -4.901 -7.886 5.472 1.00 0.00 C ATOM 119 O ILE A 9 -3.876 -8.468 5.092 1.00 0.00 O ATOM 120 CB ILE A 9 -4.116 -6.800 7.633 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.234 -6.805 9.175 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.302 -5.370 7.086 1.00 0.00 C ATOM 123 CD1 ILE A 9 -3.208 -5.928 9.897 1.00 0.00 C ATOM 0 H ILE A 9 -4.308 -9.237 8.220 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.124 -7.331 7.186 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.118 -7.152 7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.235 -6.472 9.450 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.130 -7.830 9.531 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.573 -4.705 7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.155 -5.372 6.006 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.309 -5.021 7.315 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.367 -5.993 10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.202 -6.272 9.657 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.324 -4.893 9.576 1.00 0.00 H new ATOM 135 N PRO A 10 -5.785 -7.330 4.617 1.00 0.00 N ATOM 136 CA PRO A 10 -5.584 -7.250 3.176 1.00 0.00 C ATOM 137 C PRO A 10 -4.177 -6.770 2.836 1.00 0.00 C ATOM 138 O PRO A 10 -3.760 -5.694 3.272 1.00 0.00 O ATOM 139 CB PRO A 10 -6.650 -6.277 2.667 1.00 0.00 C ATOM 140 CG PRO A 10 -7.796 -6.483 3.650 1.00 0.00 C ATOM 141 CD PRO A 10 -7.058 -6.710 4.968 1.00 0.00 C ATOM 0 HA PRO A 10 -5.680 -8.227 2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.293 -5.247 2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.949 -6.505 1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.453 -5.615 3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.416 -7.338 3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.901 -5.768 5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.635 -7.354 5.632 1.00 0.00 H new ATOM 149 N ASP A 11 -3.435 -7.563 2.068 1.00 0.00 N ATOM 150 CA ASP A 11 -2.023 -7.300 1.803 1.00 0.00 C ATOM 151 C ASP A 11 -1.864 -6.224 0.724 1.00 0.00 C ATOM 152 O ASP A 11 -1.040 -5.317 0.844 1.00 0.00 O ATOM 153 CB ASP A 11 -1.342 -8.615 1.408 1.00 0.00 C ATOM 154 CG ASP A 11 0.145 -8.570 1.746 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.473 -8.611 2.954 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.985 -8.509 0.824 1.00 0.00 O ATOM 0 H ASP A 11 -3.793 -8.403 1.613 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.541 -6.914 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.814 -9.447 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.473 -8.793 0.341 1.00 0.00 H new ATOM 161 N VAL A 12 -2.763 -6.237 -0.264 1.00 0.00 N ATOM 162 CA VAL A 12 -2.869 -5.272 -1.352 1.00 0.00 C ATOM 163 C VAL A 12 -4.360 -4.973 -1.494 1.00 0.00 C ATOM 164 O VAL A 12 -5.166 -5.901 -1.581 1.00 0.00 O ATOM 165 CB VAL A 12 -2.282 -5.887 -2.642 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.471 -5.001 -3.883 1.00 0.00 C ATOM 167 CG2 VAL A 12 -0.795 -6.206 -2.496 1.00 0.00 C ATOM 0 H VAL A 12 -3.475 -6.965 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.313 -4.355 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.847 -6.807 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.035 -5.494 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.535 -4.837 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.977 -4.042 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.422 -6.637 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.246 -5.290 -2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.654 -6.919 -1.684 1.00 0.00 H new ATOM 177 N ASP A 13 -4.736 -3.697 -1.526 1.00 0.00 N ATOM 178 CA ASP A 13 -6.088 -3.267 -1.864 1.00 0.00 C ATOM 179 C ASP A 13 -5.968 -1.850 -2.402 1.00 0.00 C ATOM 180 O ASP A 13 -5.347 -1.005 -1.755 1.00 0.00 O ATOM 181 CB ASP A 13 -7.024 -3.288 -0.650 1.00 0.00 C ATOM 182 CG ASP A 13 -8.437 -2.858 -1.074 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.113 -3.635 -1.785 1.00 0.00 O ATOM 184 OD2 ASP A 13 -8.876 -1.751 -0.696 1.00 0.00 O ATOM 0 H ASP A 13 -4.103 -2.925 -1.316 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.520 -3.949 -2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.053 -4.289 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.647 -2.618 0.123 1.00 0.00 H new ATOM 189 N ILE A 14 -6.494 -1.616 -3.601 1.00 0.00 N ATOM 190 CA ILE A 14 -6.368 -0.364 -4.335 1.00 0.00 C ATOM 191 C ILE A 14 -7.672 -0.118 -5.102 1.00 0.00 C ATOM 192 O ILE A 14 -8.478 -1.041 -5.268 1.00 0.00 O ATOM 193 CB ILE A 14 -5.136 -0.389 -5.282 1.00 0.00 C ATOM 194 CG1 ILE A 14 -5.177 -1.565 -6.290 1.00 0.00 C ATOM 195 CG2 ILE A 14 -3.817 -0.390 -4.484 1.00 0.00 C ATOM 196 CD1 ILE A 14 -4.058 -1.530 -7.339 1.00 0.00 C ATOM 0 H ILE A 14 -7.038 -2.317 -4.104 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.202 0.458 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.181 0.528 -5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.115 -2.504 -5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.140 -1.558 -6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.974 -0.408 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.763 0.508 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.780 -1.271 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.157 -2.386 -8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.130 -0.609 -7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.090 -1.569 -6.840 1.00 0.00 H new ATOM 208 N ASP A 15 -7.887 1.113 -5.571 1.00 0.00 N ATOM 209 CA ASP A 15 -9.029 1.438 -6.429 1.00 0.00 C ATOM 210 C ASP A 15 -8.969 0.614 -7.725 1.00 0.00 C ATOM 211 O ASP A 15 -7.886 0.324 -8.241 1.00 0.00 O ATOM 212 CB ASP A 15 -9.097 2.946 -6.697 1.00 0.00 C ATOM 213 CG ASP A 15 -10.316 3.361 -7.531 1.00 0.00 C ATOM 214 OD1 ASP A 15 -11.381 2.709 -7.447 1.00 0.00 O ATOM 215 OD2 ASP A 15 -10.213 4.394 -8.226 1.00 0.00 O ATOM 0 H ASP A 15 -7.280 1.907 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.951 1.169 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.120 3.476 -5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.189 3.257 -7.214 1.00 0.00 H new ATOM 220 N SER A 16 -10.134 0.219 -8.236 1.00 0.00 N ATOM 221 CA SER A 16 -10.294 -0.747 -9.314 1.00 0.00 C ATOM 222 C SER A 16 -9.665 -0.321 -10.647 1.00 0.00 C ATOM 223 O SER A 16 -9.158 -1.178 -11.374 1.00 0.00 O ATOM 224 CB SER A 16 -11.794 -1.021 -9.504 1.00 0.00 C ATOM 225 OG SER A 16 -12.434 -1.262 -8.256 1.00 0.00 O ATOM 0 H SER A 16 -11.025 0.579 -7.895 1.00 0.00 H new ATOM 0 HA SER A 16 -9.756 -1.647 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.262 -0.170 -9.998 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.929 -1.883 -10.158 1.00 0.00 H new ATOM 0 HG SER A 16 -13.388 -1.432 -8.405 1.00 0.00 H new ATOM 231 N ASP A 17 -9.701 0.972 -10.988 1.00 0.00 N ATOM 232 CA ASP A 17 -9.262 1.473 -12.290 1.00 0.00 C ATOM 233 C ASP A 17 -8.908 2.951 -12.173 1.00 0.00 C ATOM 234 O ASP A 17 -9.712 3.727 -11.648 1.00 0.00 O ATOM 235 CB ASP A 17 -10.387 1.310 -13.323 1.00 0.00 C ATOM 236 CG ASP A 17 -10.022 1.977 -14.659 1.00 0.00 C ATOM 237 OD1 ASP A 17 -9.199 1.414 -15.414 1.00 0.00 O ATOM 238 OD2 ASP A 17 -10.577 3.052 -14.978 1.00 0.00 O ATOM 0 H ASP A 17 -10.038 1.703 -10.362 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.389 0.905 -12.611 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.583 0.250 -13.485 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.306 1.749 -12.935 1.00 0.00 H new ATOM 243 N GLY A 18 -7.732 3.353 -12.656 1.00 0.00 N ATOM 244 CA GLY A 18 -7.344 4.754 -12.739 1.00 0.00 C ATOM 245 C GLY A 18 -5.838 4.952 -12.599 1.00 0.00 C ATOM 246 O GLY A 18 -5.051 4.007 -12.682 1.00 0.00 O ATOM 0 H GLY A 18 -7.021 2.709 -13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.674 5.163 -13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.855 5.316 -11.958 1.00 0.00 H new ATOM 250 N VAL A 19 -5.457 6.203 -12.345 1.00 0.00 N ATOM 251 CA VAL A 19 -4.115 6.616 -11.967 1.00 0.00 C ATOM 252 C VAL A 19 -4.301 7.394 -10.664 1.00 0.00 C ATOM 253 O VAL A 19 -5.145 8.294 -10.607 1.00 0.00 O ATOM 254 CB VAL A 19 -3.484 7.458 -13.097 1.00 0.00 C ATOM 255 CG1 VAL A 19 -2.084 7.946 -12.701 1.00 0.00 C ATOM 256 CG2 VAL A 19 -3.391 6.664 -14.411 1.00 0.00 C ATOM 0 H VAL A 19 -6.107 6.987 -12.401 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.428 5.784 -11.816 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.136 8.317 -13.254 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.661 8.537 -13.514 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.153 8.561 -11.804 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.442 7.088 -12.504 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.942 7.289 -15.183 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.775 5.778 -14.258 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.390 6.362 -14.725 1.00 0.00 H new ATOM 266 N PHE A 20 -3.577 7.023 -9.606 1.00 0.00 N ATOM 267 CA PHE A 20 -3.820 7.538 -8.259 1.00 0.00 C ATOM 268 C PHE A 20 -2.602 7.343 -7.363 1.00 0.00 C ATOM 269 O PHE A 20 -1.725 6.530 -7.667 1.00 0.00 O ATOM 270 CB PHE A 20 -5.047 6.827 -7.662 1.00 0.00 C ATOM 271 CG PHE A 20 -5.118 5.318 -7.854 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.327 4.455 -7.071 1.00 0.00 C ATOM 273 CD2 PHE A 20 -5.983 4.774 -8.825 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.400 3.063 -7.257 1.00 0.00 C ATOM 275 CE2 PHE A 20 -6.050 3.383 -9.016 1.00 0.00 C ATOM 276 CZ PHE A 20 -5.261 2.527 -8.229 1.00 0.00 C ATOM 0 H PHE A 20 -2.806 6.357 -9.660 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.011 8.609 -8.321 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.076 7.037 -6.593 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.943 7.269 -8.098 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.662 4.864 -6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.597 5.429 -9.425 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.794 2.405 -6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.708 2.972 -9.768 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.316 1.458 -8.371 1.00 0.00 H new ATOM 286 N LYS A 21 -2.541 8.093 -6.255 1.00 0.00 N ATOM 287 CA LYS A 21 -1.484 7.947 -5.266 1.00 0.00 C ATOM 288 C LYS A 21 -1.683 6.644 -4.494 1.00 0.00 C ATOM 289 O LYS A 21 -2.808 6.155 -4.366 1.00 0.00 O ATOM 290 CB LYS A 21 -1.474 9.130 -4.284 1.00 0.00 C ATOM 291 CG LYS A 21 -1.477 10.547 -4.885 1.00 0.00 C ATOM 292 CD LYS A 21 -0.441 10.748 -6.003 1.00 0.00 C ATOM 293 CE LYS A 21 -0.176 12.227 -6.331 1.00 0.00 C ATOM 294 NZ LYS A 21 -1.395 12.993 -6.703 1.00 0.00 N ATOM 0 H LYS A 21 -3.225 8.814 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.527 7.928 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.345 9.037 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.593 9.034 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.470 10.762 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.286 11.269 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.496 10.275 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.786 10.240 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.289 12.702 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.540 12.284 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.119 13.875 -7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.982 12.422 -7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.939 13.218 -5.845 1.00 0.00 H new ATOM 308 N TYR A 22 -0.607 6.119 -3.919 1.00 0.00 N ATOM 309 CA TYR A 22 -0.623 4.981 -3.016 1.00 0.00 C ATOM 310 C TYR A 22 0.437 5.232 -1.928 1.00 0.00 C ATOM 311 O TYR A 22 1.320 6.076 -2.103 1.00 0.00 O ATOM 312 CB TYR A 22 -0.417 3.668 -3.807 1.00 0.00 C ATOM 313 CG TYR A 22 0.944 3.050 -3.622 1.00 0.00 C ATOM 314 CD1 TYR A 22 2.029 3.553 -4.350 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.145 2.088 -2.617 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.331 3.162 -4.017 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.445 1.682 -2.285 1.00 0.00 C ATOM 318 CZ TYR A 22 3.543 2.244 -2.966 1.00 0.00 C ATOM 319 OH TYR A 22 4.800 1.913 -2.582 1.00 0.00 O ATOM 0 H TYR A 22 0.331 6.489 -4.076 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.588 4.868 -2.522 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.176 2.948 -3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.574 3.866 -4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.862 4.241 -5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.298 1.662 -2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.172 3.562 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.604 0.944 -1.513 1.00 0.00 H new ATOM 0 HH TYR A 22 4.758 1.313 -1.808 1.00 0.00 H new ATOM 329 N VAL A 23 0.378 4.496 -0.819 1.00 0.00 N ATOM 330 CA VAL A 23 1.387 4.510 0.233 1.00 0.00 C ATOM 331 C VAL A 23 1.729 3.075 0.617 1.00 0.00 C ATOM 332 O VAL A 23 0.885 2.171 0.559 1.00 0.00 O ATOM 333 CB VAL A 23 0.934 5.332 1.459 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.932 6.836 1.160 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.441 4.899 1.993 1.00 0.00 C ATOM 0 H VAL A 23 -0.394 3.858 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 23 2.282 5.002 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 23 1.667 5.129 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.608 7.383 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.938 7.154 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.249 7.042 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.706 5.512 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.191 5.026 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.402 3.851 2.292 1.00 0.00 H new ATOM 345 N LEU A 24 2.979 2.891 1.040 1.00 0.00 N ATOM 346 CA LEU A 24 3.483 1.646 1.590 1.00 0.00 C ATOM 347 C LEU A 24 3.443 1.864 3.095 1.00 0.00 C ATOM 348 O LEU A 24 4.061 2.817 3.574 1.00 0.00 O ATOM 349 CB LEU A 24 4.925 1.427 1.088 1.00 0.00 C ATOM 350 CG LEU A 24 5.491 -0.002 1.206 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.283 -0.659 2.573 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.893 -0.899 0.122 1.00 0.00 C ATOM 0 H LEU A 24 3.684 3.628 1.006 1.00 0.00 H new ATOM 0 HA LEU A 24 2.909 0.767 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.969 1.725 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.583 2.100 1.639 1.00 0.00 H new ATOM 0 HG LEU A 24 6.568 0.105 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.712 -1.661 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.772 -0.061 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.216 -0.723 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.301 -1.905 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.810 -0.935 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.142 -0.498 -0.860 1.00 0.00 H new ATOM 364 N ILE A 25 2.725 1.033 3.846 1.00 0.00 N ATOM 365 CA ILE A 25 2.586 1.194 5.290 1.00 0.00 C ATOM 366 C ILE A 25 3.080 -0.093 5.937 1.00 0.00 C ATOM 367 O ILE A 25 2.643 -1.184 5.575 1.00 0.00 O ATOM 368 CB ILE A 25 1.133 1.584 5.657 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.824 3.022 5.178 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.876 1.472 7.171 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.662 3.393 5.248 1.00 0.00 C ATOM 0 H ILE A 25 2.223 0.229 3.470 1.00 0.00 H new ATOM 0 HA ILE A 25 3.192 2.016 5.672 1.00 0.00 H new ATOM 0 HB ILE A 25 0.470 0.882 5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.394 3.727 5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.169 3.134 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.154 1.754 7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.046 0.445 7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.554 2.138 7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.799 4.416 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.237 2.713 4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.008 3.315 6.279 1.00 0.00 H new ATOM 383 N ARG A 26 4.017 0.042 6.874 1.00 0.00 N ATOM 384 CA ARG A 26 4.452 -1.035 7.749 1.00 0.00 C ATOM 385 C ARG A 26 3.444 -1.120 8.890 1.00 0.00 C ATOM 386 O ARG A 26 2.906 -0.095 9.310 1.00 0.00 O ATOM 387 CB ARG A 26 5.860 -0.711 8.269 1.00 0.00 C ATOM 388 CG ARG A 26 6.534 -1.913 8.953 1.00 0.00 C ATOM 389 CD ARG A 26 7.908 -1.532 9.513 1.00 0.00 C ATOM 390 NE ARG A 26 7.771 -0.639 10.677 1.00 0.00 N ATOM 391 CZ ARG A 26 8.534 0.406 11.015 1.00 0.00 C ATOM 392 NH1 ARG A 26 9.531 0.817 10.237 1.00 0.00 N ATOM 393 NH2 ARG A 26 8.274 1.025 12.160 1.00 0.00 N ATOM 0 H ARG A 26 4.502 0.923 7.046 1.00 0.00 H new ATOM 0 HA ARG A 26 4.498 -1.993 7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.481 -0.376 7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.800 0.117 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.899 -2.280 9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.643 -2.728 8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.450 -2.432 9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.497 -1.040 8.739 1.00 0.00 H new ATOM 0 HE ARG A 26 6.994 -0.844 11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.727 0.333 9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.099 1.617 10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.511 0.700 12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.838 1.825 12.446 1.00 0.00 H new ATOM 407 N VAL A 27 3.231 -2.320 9.409 1.00 0.00 N ATOM 408 CA VAL A 27 2.232 -2.675 10.401 1.00 0.00 C ATOM 409 C VAL A 27 2.945 -3.605 11.390 1.00 0.00 C ATOM 410 O VAL A 27 3.812 -4.383 10.980 1.00 0.00 O ATOM 411 CB VAL A 27 1.053 -3.395 9.695 1.00 0.00 C ATOM 412 CG1 VAL A 27 -0.147 -3.582 10.633 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.544 -2.682 8.427 1.00 0.00 C ATOM 0 H VAL A 27 3.791 -3.125 9.128 1.00 0.00 H new ATOM 0 HA VAL A 27 1.820 -1.809 10.918 1.00 0.00 H new ATOM 0 HB VAL A 27 1.474 -4.357 9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.950 -4.090 10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.153 -4.181 11.493 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.497 -2.608 10.974 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.280 -3.251 7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.198 -1.682 8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.354 -2.609 7.701 1.00 0.00 H new ATOM 423 N HIS A 28 2.578 -3.566 12.669 1.00 0.00 N ATOM 424 CA HIS A 28 3.144 -4.405 13.722 1.00 0.00 C ATOM 425 C HIS A 28 2.004 -5.093 14.473 1.00 0.00 C ATOM 426 O HIS A 28 0.903 -4.539 14.561 1.00 0.00 O ATOM 427 CB HIS A 28 3.942 -3.536 14.701 1.00 0.00 C ATOM 428 CG HIS A 28 5.095 -2.797 14.073 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.294 -3.348 13.689 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.164 -1.455 13.808 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.075 -2.363 13.227 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.427 -1.181 13.263 1.00 0.00 N ATOM 0 H HIS A 28 1.857 -2.931 13.011 1.00 0.00 H new ATOM 0 HA HIS A 28 3.805 -5.151 13.281 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.268 -2.812 15.160 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.324 -4.168 15.502 1.00 0.00 H new ATOM 0 HD1 HIS A 28 6.545 -4.335 13.746 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.381 -0.733 13.988 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.087 -2.497 12.874 1.00 0.00 H new ATOM 440 N SER A 29 2.269 -6.272 15.041 1.00 0.00 N ATOM 441 CA SER A 29 1.328 -7.015 15.867 1.00 0.00 C ATOM 442 C SER A 29 0.965 -6.227 17.133 1.00 0.00 C ATOM 443 O SER A 29 1.651 -6.304 18.154 1.00 0.00 O ATOM 444 CB SER A 29 1.907 -8.379 16.248 1.00 0.00 C ATOM 445 OG SER A 29 2.250 -9.165 15.123 1.00 0.00 O ATOM 0 H SER A 29 3.167 -6.744 14.934 1.00 0.00 H new ATOM 0 HA SER A 29 0.420 -7.167 15.283 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.793 -8.232 16.866 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.181 -8.920 16.855 1.00 0.00 H new ATOM 0 HG SER A 29 2.153 -10.114 15.345 1.00 0.00 H new ATOM 451 N ALA A 30 -0.125 -5.467 17.057 1.00 0.00 N ATOM 452 CA ALA A 30 -0.778 -4.815 18.179 1.00 0.00 C ATOM 453 C ALA A 30 -2.327 -4.829 18.106 1.00 0.00 C ATOM 454 O ALA A 30 -2.914 -4.029 18.836 1.00 0.00 O ATOM 455 CB ALA A 30 -0.209 -3.392 18.320 1.00 0.00 C ATOM 0 H ALA A 30 -0.594 -5.284 16.170 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.556 -5.391 19.077 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.690 -2.889 19.159 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.865 -3.446 18.497 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.399 -2.832 17.404 1.00 0.00 H new ATOM 461 N PRO A 31 -3.046 -5.649 17.289 1.00 0.00 N ATOM 462 CA PRO A 31 -4.508 -5.687 17.342 1.00 0.00 C ATOM 463 C PRO A 31 -5.084 -5.781 18.760 1.00 0.00 C ATOM 464 O PRO A 31 -4.443 -6.309 19.674 1.00 0.00 O ATOM 465 CB PRO A 31 -4.955 -6.891 16.513 1.00 0.00 C ATOM 466 CG PRO A 31 -3.840 -7.049 15.494 1.00 0.00 C ATOM 467 CD PRO A 31 -2.601 -6.574 16.246 1.00 0.00 C ATOM 0 HA PRO A 31 -4.887 -4.745 16.946 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.067 -7.784 17.128 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.917 -6.713 16.032 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.739 -8.084 15.167 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.023 -6.449 14.602 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.071 -7.420 16.684 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.906 -6.080 15.567 1.00 0.00 H new ATOM 475 N ARG A 32 -6.306 -5.269 18.946 1.00 0.00 N ATOM 476 CA ARG A 32 -6.978 -5.136 20.246 1.00 0.00 C ATOM 477 C ARG A 32 -6.139 -4.382 21.292 1.00 0.00 C ATOM 478 O ARG A 32 -6.479 -4.411 22.476 1.00 0.00 O ATOM 479 CB ARG A 32 -7.460 -6.535 20.698 1.00 0.00 C ATOM 480 CG ARG A 32 -8.499 -6.533 21.835 1.00 0.00 C ATOM 481 CD ARG A 32 -7.917 -7.104 23.138 1.00 0.00 C ATOM 482 NE ARG A 32 -8.816 -6.890 24.285 1.00 0.00 N ATOM 483 CZ ARG A 32 -8.903 -5.774 25.023 1.00 0.00 C ATOM 484 NH1 ARG A 32 -8.169 -4.701 24.730 1.00 0.00 N ATOM 485 NH2 ARG A 32 -9.731 -5.737 26.062 1.00 0.00 N ATOM 0 H ARG A 32 -6.874 -4.924 18.172 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.854 -4.497 20.135 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.887 -7.050 19.838 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.594 -7.114 21.019 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.848 -5.515 22.008 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.367 -7.121 21.536 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.733 -8.171 23.016 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.954 -6.636 23.340 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.430 -7.663 24.542 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.530 -4.722 23.935 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.246 -3.859 25.301 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.295 -6.554 26.294 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.802 -4.891 26.628 1.00 0.00 H new ATOM 499 N SER A 33 -5.051 -3.716 20.893 1.00 0.00 N ATOM 500 CA SER A 33 -4.054 -3.142 21.789 1.00 0.00 C ATOM 501 C SER A 33 -3.533 -4.186 22.799 1.00 0.00 C ATOM 502 O SER A 33 -3.175 -3.832 23.925 1.00 0.00 O ATOM 503 CB SER A 33 -4.608 -1.860 22.434 1.00 0.00 C ATOM 504 OG SER A 33 -5.149 -0.988 21.449 1.00 0.00 O ATOM 0 H SER A 33 -4.838 -3.559 19.908 1.00 0.00 H new ATOM 0 HA SER A 33 -3.174 -2.847 21.217 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.379 -2.118 23.160 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.814 -1.350 22.980 1.00 0.00 H new ATOM 0 HG SER A 33 -5.497 -0.181 21.882 1.00 0.00 H new ATOM 510 N GLY A 34 -3.511 -5.475 22.423 1.00 0.00 N ATOM 511 CA GLY A 34 -3.193 -6.557 23.353 1.00 0.00 C ATOM 512 C GLY A 34 -2.915 -7.916 22.705 1.00 0.00 C ATOM 513 O GLY A 34 -2.798 -8.901 23.437 1.00 0.00 O ATOM 0 H GLY A 34 -3.712 -5.789 21.473 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.320 -6.267 23.938 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.022 -6.669 24.052 1.00 0.00 H new ATOM 517 N ALA A 35 -2.810 -8.005 21.372 1.00 0.00 N ATOM 518 CA ALA A 35 -2.417 -9.235 20.686 1.00 0.00 C ATOM 519 C ALA A 35 -1.063 -9.742 21.229 1.00 0.00 C ATOM 520 O ALA A 35 -0.162 -8.924 21.442 1.00 0.00 O ATOM 521 CB ALA A 35 -2.336 -8.981 19.176 1.00 0.00 C ATOM 0 H ALA A 35 -2.996 -7.224 20.743 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.166 -10.004 20.872 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.043 -9.900 18.668 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.310 -8.658 18.809 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.597 -8.205 18.977 1.00 0.00 H new ATOM 527 N PRO A 36 -0.886 -11.061 21.444 1.00 0.00 N ATOM 528 CA PRO A 36 0.324 -11.610 22.056 1.00 0.00 C ATOM 529 C PRO A 36 1.512 -11.692 21.086 1.00 0.00 C ATOM 530 O PRO A 36 2.660 -11.757 21.536 1.00 0.00 O ATOM 531 CB PRO A 36 -0.082 -13.002 22.553 1.00 0.00 C ATOM 532 CG PRO A 36 -1.171 -13.426 21.569 1.00 0.00 C ATOM 533 CD PRO A 36 -1.883 -12.109 21.262 1.00 0.00 C ATOM 0 HA PRO A 36 0.676 -10.962 22.858 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.760 -13.694 22.543 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.456 -12.970 23.576 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.750 -13.877 20.670 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.848 -14.159 22.007 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.273 -12.104 20.244 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.732 -11.960 21.929 1.00 0.00 H new ATOM 541 N ALA A 37 1.256 -11.710 19.773 1.00 0.00 N ATOM 542 CA ALA A 37 2.297 -11.704 18.749 1.00 0.00 C ATOM 543 C ALA A 37 3.074 -10.379 18.776 1.00 0.00 C ATOM 544 O ALA A 37 2.596 -9.376 19.311 1.00 0.00 O ATOM 545 CB ALA A 37 1.662 -11.953 17.374 1.00 0.00 C ATOM 0 H ALA A 37 0.310 -11.729 19.392 1.00 0.00 H new ATOM 0 HA ALA A 37 3.010 -12.503 18.952 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.438 -11.949 16.609 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.159 -12.920 17.375 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.937 -11.167 17.160 1.00 0.00 H new ATOM 551 N ALA A 38 4.255 -10.367 18.151 1.00 0.00 N ATOM 552 CA ALA A 38 5.141 -9.207 18.052 1.00 0.00 C ATOM 553 C ALA A 38 5.850 -9.208 16.690 1.00 0.00 C ATOM 554 O ALA A 38 7.034 -8.877 16.589 1.00 0.00 O ATOM 555 CB ALA A 38 6.115 -9.209 19.239 1.00 0.00 C ATOM 0 H ALA A 38 4.632 -11.193 17.685 1.00 0.00 H new ATOM 0 HA ALA A 38 4.569 -8.281 18.106 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.777 -8.346 19.168 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.552 -9.159 20.171 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.708 -10.123 19.221 1.00 0.00 H new ATOM 561 N GLU A 39 5.144 -9.654 15.650 1.00 0.00 N ATOM 562 CA GLU A 39 5.638 -9.679 14.282 1.00 0.00 C ATOM 563 C GLU A 39 5.362 -8.323 13.609 1.00 0.00 C ATOM 564 O GLU A 39 4.803 -7.406 14.223 1.00 0.00 O ATOM 565 CB GLU A 39 4.980 -10.846 13.518 1.00 0.00 C ATOM 566 CG GLU A 39 5.343 -12.216 14.110 1.00 0.00 C ATOM 567 CD GLU A 39 4.786 -13.366 13.252 1.00 0.00 C ATOM 568 OE1 GLU A 39 5.459 -13.792 12.285 1.00 0.00 O ATOM 569 OE2 GLU A 39 3.682 -13.878 13.548 1.00 0.00 O ATOM 0 H GLU A 39 4.194 -10.014 15.742 1.00 0.00 H new ATOM 0 HA GLU A 39 6.716 -9.841 14.273 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.897 -10.722 13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.289 -10.812 12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.427 -12.307 14.183 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.948 -12.292 15.123 1.00 0.00 H new ATOM 576 N SER A 40 5.733 -8.210 12.331 1.00 0.00 N ATOM 577 CA SER A 40 5.486 -7.043 11.496 1.00 0.00 C ATOM 578 C SER A 40 5.145 -7.507 10.073 1.00 0.00 C ATOM 579 O SER A 40 5.476 -8.630 9.677 1.00 0.00 O ATOM 580 CB SER A 40 6.702 -6.106 11.495 1.00 0.00 C ATOM 581 OG SER A 40 7.239 -5.897 12.796 1.00 0.00 O ATOM 0 H SER A 40 6.228 -8.953 11.839 1.00 0.00 H new ATOM 0 HA SER A 40 4.644 -6.481 11.899 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.476 -6.523 10.850 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.414 -5.146 11.067 1.00 0.00 H new ATOM 0 HG SER A 40 7.948 -5.222 12.753 1.00 0.00 H new ATOM 587 N LYS A 41 4.452 -6.655 9.319 1.00 0.00 N ATOM 588 CA LYS A 41 3.886 -6.907 7.992 1.00 0.00 C ATOM 589 C LYS A 41 3.846 -5.556 7.275 1.00 0.00 C ATOM 590 O LYS A 41 4.012 -4.517 7.912 1.00 0.00 O ATOM 591 CB LYS A 41 2.497 -7.554 8.194 1.00 0.00 C ATOM 592 CG LYS A 41 1.640 -7.881 6.951 1.00 0.00 C ATOM 593 CD LYS A 41 0.360 -7.026 6.924 1.00 0.00 C ATOM 594 CE LYS A 41 -0.523 -7.210 5.678 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.970 -8.602 5.437 1.00 0.00 N ATOM 0 H LYS A 41 4.257 -5.706 9.639 1.00 0.00 H new ATOM 0 HA LYS A 41 4.468 -7.595 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.642 -8.482 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.913 -6.890 8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.221 -7.701 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.375 -8.938 6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.233 -7.260 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.642 -5.976 6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.402 -6.572 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.028 -6.863 4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.974 -8.602 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.404 -9.021 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.846 -9.162 6.305 1.00 0.00 H new ATOM 609 N GLU A 42 3.611 -5.533 5.967 1.00 0.00 N ATOM 610 CA GLU A 42 3.458 -4.300 5.206 1.00 0.00 C ATOM 611 C GLU A 42 2.207 -4.425 4.339 1.00 0.00 C ATOM 612 O GLU A 42 1.831 -5.540 3.964 1.00 0.00 O ATOM 613 CB GLU A 42 4.690 -4.022 4.327 1.00 0.00 C ATOM 614 CG GLU A 42 6.029 -3.843 5.063 1.00 0.00 C ATOM 615 CD GLU A 42 6.671 -5.165 5.540 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.773 -6.128 4.747 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.131 -5.233 6.701 1.00 0.00 O ATOM 0 H GLU A 42 3.521 -6.377 5.402 1.00 0.00 H new ATOM 0 HA GLU A 42 3.361 -3.463 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.797 -4.844 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.498 -3.121 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.728 -3.330 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.873 -3.196 5.926 1.00 0.00 H new ATOM 624 N ILE A 43 1.595 -3.295 3.990 1.00 0.00 N ATOM 625 CA ILE A 43 0.403 -3.209 3.156 1.00 0.00 C ATOM 626 C ILE A 43 0.603 -2.149 2.072 1.00 0.00 C ATOM 627 O ILE A 43 1.373 -1.198 2.241 1.00 0.00 O ATOM 628 CB ILE A 43 -0.870 -2.924 3.997 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.784 -1.635 4.843 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.211 -4.145 4.858 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.066 -1.283 5.614 1.00 0.00 C ATOM 0 H ILE A 43 1.930 -2.381 4.293 1.00 0.00 H new ATOM 0 HA ILE A 43 0.251 -4.176 2.677 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.681 -2.743 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.035 -1.739 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.532 -0.802 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.105 -3.938 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.391 -5.006 4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.379 -4.362 5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.910 -0.364 6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.887 -1.142 4.911 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.312 -2.093 6.301 1.00 0.00 H new ATOM 643 N VAL A 44 -0.145 -2.313 0.983 1.00 0.00 N ATOM 644 CA VAL A 44 -0.184 -1.423 -0.170 1.00 0.00 C ATOM 645 C VAL A 44 -1.624 -0.912 -0.236 1.00 0.00 C ATOM 646 O VAL A 44 -2.540 -1.721 -0.436 1.00 0.00 O ATOM 647 CB VAL A 44 0.213 -2.230 -1.432 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.126 -1.412 -2.727 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.630 -2.819 -1.337 1.00 0.00 C ATOM 0 H VAL A 44 -0.771 -3.111 0.878 1.00 0.00 H new ATOM 0 HA VAL A 44 0.509 -0.584 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.519 -3.037 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.417 -2.036 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.897 -1.063 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.796 -0.555 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.855 -3.374 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.352 -2.012 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.689 -3.490 -0.480 1.00 0.00 H new ATOM 659 N ARG A 45 -1.833 0.396 -0.040 1.00 0.00 N ATOM 660 CA ARG A 45 -3.135 1.070 -0.135 1.00 0.00 C ATOM 661 C ARG A 45 -2.984 2.222 -1.119 1.00 0.00 C ATOM 662 O ARG A 45 -1.959 2.899 -1.073 1.00 0.00 O ATOM 663 CB ARG A 45 -3.561 1.663 1.228 1.00 0.00 C ATOM 664 CG ARG A 45 -3.909 0.688 2.364 1.00 0.00 C ATOM 665 CD ARG A 45 -5.074 -0.257 2.062 1.00 0.00 C ATOM 666 NE ARG A 45 -4.580 -1.500 1.472 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.337 -2.644 2.115 1.00 0.00 C ATOM 668 NH1 ARG A 45 -4.798 -2.895 3.336 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.578 -3.545 1.519 1.00 0.00 N ATOM 0 H ARG A 45 -1.075 1.036 0.197 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.887 0.348 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.755 2.308 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.429 2.300 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.026 0.092 2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.149 1.264 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.622 -0.474 2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.774 0.224 1.379 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.403 -1.492 0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.363 -2.198 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.586 -3.784 3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.195 -3.357 0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.374 -4.429 1.985 1.00 0.00 H new ATOM 683 N GLY A 46 -3.984 2.502 -1.954 1.00 0.00 N ATOM 684 CA GLY A 46 -3.968 3.661 -2.839 1.00 0.00 C ATOM 685 C GLY A 46 -5.252 3.757 -3.635 1.00 0.00 C ATOM 686 O GLY A 46 -5.750 2.738 -4.117 1.00 0.00 O ATOM 0 H GLY A 46 -4.826 1.931 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.832 4.569 -2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.119 3.591 -3.519 1.00 0.00 H new ATOM 690 N TYR A 47 -5.799 4.968 -3.763 1.00 0.00 N ATOM 691 CA TYR A 47 -7.135 5.156 -4.315 1.00 0.00 C ATOM 692 C TYR A 47 -7.261 6.530 -4.949 1.00 0.00 C ATOM 693 O TYR A 47 -6.618 7.482 -4.506 1.00 0.00 O ATOM 694 CB TYR A 47 -8.194 5.050 -3.206 1.00 0.00 C ATOM 695 CG TYR A 47 -8.102 3.821 -2.324 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.307 3.865 -1.163 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.805 2.647 -2.655 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.233 2.745 -0.318 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.715 1.514 -1.828 1.00 0.00 C ATOM 700 CZ TYR A 47 -7.937 1.563 -0.649 1.00 0.00 C ATOM 701 OH TYR A 47 -7.877 0.493 0.186 1.00 0.00 O ATOM 0 H TYR A 47 -5.333 5.833 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.294 4.380 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.121 5.935 -2.573 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.181 5.070 -3.668 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.754 4.760 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.415 2.617 -3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.639 2.786 0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.239 0.608 -2.093 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.523 -0.184 -0.103 1.00 0.00 H new ATOM 711 N LYS A 48 -8.157 6.652 -5.932 1.00 0.00 N ATOM 712 CA LYS A 48 -8.453 7.907 -6.619 1.00 0.00 C ATOM 713 C LYS A 48 -8.903 9.006 -5.652 1.00 0.00 C ATOM 714 O LYS A 48 -8.594 10.173 -5.891 1.00 0.00 O ATOM 715 CB LYS A 48 -9.484 7.606 -7.720 1.00 0.00 C ATOM 716 CG LYS A 48 -9.710 8.764 -8.702 1.00 0.00 C ATOM 717 CD LYS A 48 -10.719 8.427 -9.815 1.00 0.00 C ATOM 718 CE LYS A 48 -10.284 7.281 -10.749 1.00 0.00 C ATOM 719 NZ LYS A 48 -10.843 5.957 -10.373 1.00 0.00 N ATOM 0 H LYS A 48 -8.706 5.865 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.549 8.307 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.157 6.729 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.435 7.350 -7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.064 9.635 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.757 9.039 -9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.672 8.162 -9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.891 9.321 -10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.591 7.519 -11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.196 7.219 -10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.455 5.225 -11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.587 5.739 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.879 5.979 -10.464 1.00 0.00 H new ATOM 733 N TRP A 49 -9.594 8.661 -4.558 1.00 0.00 N ATOM 734 CA TRP A 49 -10.000 9.652 -3.568 1.00 0.00 C ATOM 735 C TRP A 49 -8.805 10.248 -2.807 1.00 0.00 C ATOM 736 O TRP A 49 -8.889 11.403 -2.384 1.00 0.00 O ATOM 737 CB TRP A 49 -11.095 9.100 -2.638 1.00 0.00 C ATOM 738 CG TRP A 49 -10.936 7.723 -2.051 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.648 6.633 -2.419 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.090 7.274 -0.946 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.316 5.558 -1.619 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.365 5.898 -0.682 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.121 7.891 -0.131 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.715 5.182 0.337 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.421 7.169 0.852 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.710 5.814 1.087 1.00 0.00 C ATOM 0 H TRP A 49 -9.880 7.706 -4.342 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.443 10.488 -4.109 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.204 9.799 -1.809 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.033 9.114 -3.192 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.370 6.608 -3.221 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.724 4.628 -1.710 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.911 8.942 -0.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.985 4.157 0.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.654 7.661 1.432 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.164 5.263 1.838 1.00 0.00 H new ATOM 757 N ALA A 50 -7.688 9.524 -2.652 1.00 0.00 N ATOM 758 CA ALA A 50 -6.479 10.060 -2.049 1.00 0.00 C ATOM 759 C ALA A 50 -5.669 10.807 -3.110 1.00 0.00 C ATOM 760 O ALA A 50 -4.723 10.273 -3.689 1.00 0.00 O ATOM 761 CB ALA A 50 -5.669 8.968 -1.359 1.00 0.00 C ATOM 0 H ALA A 50 -7.606 8.550 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.752 10.770 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.772 9.403 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.271 8.509 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.384 8.210 -2.089 1.00 0.00 H new ATOM 767 N GLU A 51 -6.051 12.056 -3.375 1.00 0.00 N ATOM 768 CA GLU A 51 -5.313 12.948 -4.268 1.00 0.00 C ATOM 769 C GLU A 51 -3.909 13.274 -3.727 1.00 0.00 C ATOM 770 O GLU A 51 -3.038 13.675 -4.503 1.00 0.00 O ATOM 771 CB GLU A 51 -6.124 14.238 -4.488 1.00 0.00 C ATOM 772 CG GLU A 51 -7.344 14.045 -5.403 1.00 0.00 C ATOM 773 CD GLU A 51 -6.961 14.015 -6.897 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.405 13.003 -7.379 1.00 0.00 O ATOM 775 OE2 GLU A 51 -7.225 15.010 -7.610 1.00 0.00 O ATOM 0 H GLU A 51 -6.887 12.480 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.174 12.437 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.460 14.616 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.473 14.998 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.847 13.114 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.056 14.852 -5.230 1.00 0.00 H new ATOM 782 N TYR A 52 -3.668 13.077 -2.427 1.00 0.00 N ATOM 783 CA TYR A 52 -2.412 13.339 -1.731 1.00 0.00 C ATOM 784 C TYR A 52 -2.116 12.143 -0.823 1.00 0.00 C ATOM 785 O TYR A 52 -3.039 11.439 -0.399 1.00 0.00 O ATOM 786 CB TYR A 52 -2.457 14.670 -0.958 1.00 0.00 C ATOM 787 CG TYR A 52 -3.810 15.117 -0.439 1.00 0.00 C ATOM 788 CD1 TYR A 52 -4.705 15.745 -1.321 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.161 14.941 0.911 1.00 0.00 C ATOM 790 CE1 TYR A 52 -5.962 16.182 -0.867 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.413 15.380 1.379 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.322 16.001 0.489 1.00 0.00 C ATOM 793 OH TYR A 52 -7.540 16.432 0.923 1.00 0.00 O ATOM 0 H TYR A 52 -4.385 12.710 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.601 13.451 -2.451 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.777 14.593 -0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.068 15.453 -1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.426 15.893 -2.354 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.468 14.468 1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.651 16.655 -1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.680 15.243 2.416 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.636 16.234 1.878 1.00 0.00 H new ATOM 803 N HIS A 53 -0.840 11.880 -0.534 1.00 0.00 N ATOM 804 CA HIS A 53 -0.425 10.651 0.137 1.00 0.00 C ATOM 805 C HIS A 53 -0.813 10.717 1.609 1.00 0.00 C ATOM 806 O HIS A 53 -1.193 9.699 2.195 1.00 0.00 O ATOM 807 CB HIS A 53 1.087 10.445 0.001 1.00 0.00 C ATOM 808 CG HIS A 53 1.596 10.539 -1.415 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.844 9.462 -2.267 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.989 11.689 -2.033 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.386 10.001 -3.372 1.00 0.00 C ATOM 812 NE2 HIS A 53 2.483 11.332 -3.261 1.00 0.00 N ATOM 0 H HIS A 53 -0.070 12.511 -0.758 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.929 9.807 -0.333 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.600 11.189 0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.347 9.467 0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.924 12.690 -1.632 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.702 9.435 -4.236 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.858 11.968 -3.965 1.00 0.00 H new ATOM 820 N ALA A 54 -0.790 11.919 2.193 1.00 0.00 N ATOM 821 CA ALA A 54 -1.286 12.142 3.544 1.00 0.00 C ATOM 822 C ALA A 54 -2.735 11.672 3.725 1.00 0.00 C ATOM 823 O ALA A 54 -3.094 11.291 4.840 1.00 0.00 O ATOM 824 CB ALA A 54 -1.159 13.624 3.916 1.00 0.00 C ATOM 0 H ALA A 54 -0.428 12.758 1.740 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.670 11.543 4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.533 13.778 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.112 13.923 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.742 14.225 3.218 1.00 0.00 H new ATOM 830 N ASP A 55 -3.566 11.682 2.672 1.00 0.00 N ATOM 831 CA ASP A 55 -4.979 11.328 2.807 1.00 0.00 C ATOM 832 C ASP A 55 -5.132 9.852 3.167 1.00 0.00 C ATOM 833 O ASP A 55 -5.794 9.512 4.151 1.00 0.00 O ATOM 834 CB ASP A 55 -5.762 11.603 1.518 1.00 0.00 C ATOM 835 CG ASP A 55 -7.267 11.584 1.819 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.787 12.579 2.374 1.00 0.00 O ATOM 837 OD2 ASP A 55 -7.934 10.579 1.502 1.00 0.00 O ATOM 0 H ASP A 55 -3.282 11.930 1.724 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.385 11.951 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.475 12.570 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.521 10.851 0.766 1.00 0.00 H new ATOM 842 N ILE A 56 -4.466 8.977 2.402 1.00 0.00 N ATOM 843 CA ILE A 56 -4.442 7.551 2.684 1.00 0.00 C ATOM 844 C ILE A 56 -3.693 7.295 3.978 1.00 0.00 C ATOM 845 O ILE A 56 -4.159 6.454 4.740 1.00 0.00 O ATOM 846 CB ILE A 56 -3.864 6.668 1.544 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.855 7.370 0.600 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.017 5.933 0.841 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.648 6.676 -0.748 1.00 0.00 C ATOM 0 H ILE A 56 -3.933 9.245 1.575 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.486 7.251 2.776 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.216 5.920 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.196 8.389 0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.893 7.441 1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.617 5.312 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.540 5.304 1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.712 6.662 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.926 7.239 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.273 5.666 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.597 6.628 -1.282 1.00 0.00 H new ATOM 861 N TYR A 57 -2.580 7.984 4.260 1.00 0.00 N ATOM 862 CA TYR A 57 -1.865 7.686 5.492 1.00 0.00 C ATOM 863 C TYR A 57 -2.763 7.947 6.701 1.00 0.00 C ATOM 864 O TYR A 57 -2.890 7.059 7.535 1.00 0.00 O ATOM 865 CB TYR A 57 -0.528 8.424 5.614 1.00 0.00 C ATOM 866 CG TYR A 57 0.219 8.034 6.884 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.456 6.673 7.175 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.628 9.018 7.805 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.097 6.296 8.366 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.283 8.650 8.996 1.00 0.00 C ATOM 871 CZ TYR A 57 1.523 7.285 9.279 1.00 0.00 C ATOM 872 OH TYR A 57 2.162 6.904 10.421 1.00 0.00 O ATOM 0 H TYR A 57 -2.175 8.717 3.678 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.610 6.627 5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.091 8.201 4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.705 9.500 5.612 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.141 5.914 6.474 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.438 10.061 7.597 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.264 5.251 8.583 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.602 9.410 9.694 1.00 0.00 H new ATOM 0 HH TYR A 57 2.394 7.698 10.947 1.00 0.00 H new ATOM 882 N ASP A 58 -3.442 9.097 6.768 1.00 0.00 N ATOM 883 CA ASP A 58 -4.316 9.430 7.893 1.00 0.00 C ATOM 884 C ASP A 58 -5.474 8.435 8.031 1.00 0.00 C ATOM 885 O ASP A 58 -5.748 7.943 9.129 1.00 0.00 O ATOM 886 CB ASP A 58 -4.871 10.848 7.731 1.00 0.00 C ATOM 887 CG ASP A 58 -5.853 11.181 8.866 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.401 11.468 9.997 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.081 11.185 8.628 1.00 0.00 O ATOM 0 H ASP A 58 -3.401 9.818 6.048 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.714 9.373 8.800 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.051 11.567 7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.375 10.939 6.769 1.00 0.00 H new ATOM 894 N LYS A 59 -6.139 8.106 6.917 1.00 0.00 N ATOM 895 CA LYS A 59 -7.246 7.151 6.901 1.00 0.00 C ATOM 896 C LYS A 59 -6.778 5.777 7.366 1.00 0.00 C ATOM 897 O LYS A 59 -7.406 5.174 8.237 1.00 0.00 O ATOM 898 CB LYS A 59 -7.837 7.127 5.482 1.00 0.00 C ATOM 899 CG LYS A 59 -8.909 6.044 5.268 1.00 0.00 C ATOM 900 CD LYS A 59 -9.993 6.563 4.318 1.00 0.00 C ATOM 901 CE LYS A 59 -10.952 5.439 3.905 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.957 5.903 2.915 1.00 0.00 N ATOM 0 H LYS A 59 -5.921 8.497 6.001 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.027 7.454 7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.272 8.102 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.030 6.971 4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.452 5.144 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.353 5.766 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.553 7.363 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.528 6.992 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.381 4.612 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.463 5.055 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.817 5.324 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.191 6.899 3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.567 5.811 1.955 1.00 0.00 H new ATOM 916 N VAL A 60 -5.687 5.274 6.798 1.00 0.00 N ATOM 917 CA VAL A 60 -5.269 3.902 7.008 1.00 0.00 C ATOM 918 C VAL A 60 -4.603 3.769 8.375 1.00 0.00 C ATOM 919 O VAL A 60 -4.889 2.790 9.057 1.00 0.00 O ATOM 920 CB VAL A 60 -4.378 3.435 5.842 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.875 2.000 6.072 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.152 3.483 4.509 1.00 0.00 C ATOM 0 H VAL A 60 -5.073 5.807 6.182 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.135 3.239 7.016 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.525 4.112 5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.248 1.695 5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.293 1.962 6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.727 1.324 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.503 3.149 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.022 2.829 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.478 4.505 4.314 1.00 0.00 H new ATOM 932 N SER A 61 -3.780 4.720 8.834 1.00 0.00 N ATOM 933 CA SER A 61 -3.224 4.634 10.179 1.00 0.00 C ATOM 934 C SER A 61 -4.355 4.694 11.207 1.00 0.00 C ATOM 935 O SER A 61 -4.275 4.014 12.230 1.00 0.00 O ATOM 936 CB SER A 61 -2.151 5.706 10.418 1.00 0.00 C ATOM 937 OG SER A 61 -2.696 7.010 10.487 1.00 0.00 O ATOM 0 H SER A 61 -3.492 5.541 8.302 1.00 0.00 H new ATOM 0 HA SER A 61 -2.716 3.676 10.293 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.623 5.487 11.346 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.415 5.665 9.615 1.00 0.00 H new ATOM 0 HG SER A 61 -2.884 7.334 9.582 1.00 0.00 H new ATOM 943 N GLY A 62 -5.422 5.453 10.931 1.00 0.00 N ATOM 944 CA GLY A 62 -6.627 5.464 11.737 1.00 0.00 C ATOM 945 C GLY A 62 -7.263 4.078 11.772 1.00 0.00 C ATOM 946 O GLY A 62 -7.485 3.543 12.854 1.00 0.00 O ATOM 0 H GLY A 62 -5.463 6.082 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.390 5.787 12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.336 6.185 11.331 1.00 0.00 H new ATOM 950 N ASP A 63 -7.525 3.466 10.613 1.00 0.00 N ATOM 951 CA ASP A 63 -8.153 2.144 10.543 1.00 0.00 C ATOM 952 C ASP A 63 -7.315 1.080 11.247 1.00 0.00 C ATOM 953 O ASP A 63 -7.839 0.324 12.063 1.00 0.00 O ATOM 954 CB ASP A 63 -8.411 1.720 9.097 1.00 0.00 C ATOM 955 CG ASP A 63 -9.176 0.386 9.079 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.427 0.413 9.110 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.535 -0.686 9.028 1.00 0.00 O ATOM 0 H ASP A 63 -7.309 3.871 9.702 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.109 2.229 11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.986 2.488 8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.466 1.616 8.564 1.00 0.00 H new ATOM 962 N MET A 64 -6.006 1.062 10.991 1.00 0.00 N ATOM 963 CA MET A 64 -5.078 0.142 11.631 1.00 0.00 C ATOM 964 C MET A 64 -5.128 0.306 13.145 1.00 0.00 C ATOM 965 O MET A 64 -5.298 -0.684 13.851 1.00 0.00 O ATOM 966 CB MET A 64 -3.658 0.380 11.107 1.00 0.00 C ATOM 967 CG MET A 64 -3.479 -0.018 9.633 1.00 0.00 C ATOM 968 SD MET A 64 -3.567 -1.799 9.311 1.00 0.00 S ATOM 969 CE MET A 64 -5.254 -1.876 8.656 1.00 0.00 C ATOM 0 H MET A 64 -5.560 1.694 10.326 1.00 0.00 H new ATOM 0 HA MET A 64 -5.370 -0.880 11.389 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.407 1.434 11.225 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.954 -0.186 11.717 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.245 0.482 9.041 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.515 0.353 9.286 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.633 -2.894 8.745 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.895 -1.199 9.221 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.251 -1.581 7.607 1.00 0.00 H new ATOM 979 N GLN A 65 -5.045 1.533 13.658 1.00 0.00 N ATOM 980 CA GLN A 65 -5.082 1.785 15.089 1.00 0.00 C ATOM 981 C GLN A 65 -6.459 1.478 15.691 1.00 0.00 C ATOM 982 O GLN A 65 -6.527 1.080 16.853 1.00 0.00 O ATOM 983 CB GLN A 65 -4.658 3.233 15.350 1.00 0.00 C ATOM 984 CG GLN A 65 -3.138 3.423 15.187 1.00 0.00 C ATOM 985 CD GLN A 65 -2.753 4.897 15.290 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.212 5.356 16.294 1.00 0.00 O ATOM 987 NE2 GLN A 65 -3.035 5.670 14.256 1.00 0.00 N ATOM 0 H GLN A 65 -4.951 2.375 13.091 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.382 1.112 15.585 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.183 3.895 14.661 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.954 3.522 16.358 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.613 2.853 15.953 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.821 3.028 14.222 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.484 5.274 13.430 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.804 6.663 14.283 1.00 0.00 H new ATOM 996 N LYS A 66 -7.549 1.597 14.924 1.00 0.00 N ATOM 997 CA LYS A 66 -8.871 1.144 15.357 1.00 0.00 C ATOM 998 C LYS A 66 -8.910 -0.384 15.460 1.00 0.00 C ATOM 999 O LYS A 66 -9.506 -0.890 16.411 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.968 1.702 14.431 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.244 3.189 14.727 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.327 3.814 13.833 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.895 3.963 12.364 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.947 4.613 11.540 1.00 0.00 N ATOM 0 H LYS A 66 -7.537 2.008 13.991 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.070 1.535 16.355 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.663 1.586 13.391 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.885 1.126 14.561 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.544 3.292 15.770 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.318 3.751 14.605 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.226 3.199 13.879 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.592 4.795 14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.979 4.551 12.313 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.666 2.980 11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.617 4.695 10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.814 4.039 11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.148 5.561 11.918 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.259 -1.128 14.552 1.00 0.00 N ATOM 1019 CA GLN A 67 -8.077 -2.574 14.726 1.00 0.00 C ATOM 1020 C GLN A 67 -7.133 -2.859 15.911 1.00 0.00 C ATOM 1021 O GLN A 67 -7.260 -3.887 16.576 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.557 -3.230 13.432 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.547 -3.119 12.258 1.00 0.00 C ATOM 1024 CD GLN A 67 -8.090 -3.911 11.029 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.781 -5.096 11.112 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -8.047 -3.309 9.851 1.00 0.00 N ATOM 0 H GLN A 67 -7.853 -0.753 13.695 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.049 -3.015 14.949 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.613 -2.763 13.149 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.347 -4.282 13.624 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.525 -3.480 12.576 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.668 -2.070 11.986 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.302 -2.325 9.772 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.759 -3.830 9.022 1.00 0.00 H new ATOM 1035 N GLY A 68 -6.196 -1.948 16.181 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.272 -1.932 17.313 1.00 0.00 C ATOM 1037 C GLY A 68 -3.816 -1.793 16.854 1.00 0.00 C ATOM 1038 O GLY A 68 -2.968 -1.358 17.633 1.00 0.00 O ATOM 0 H GLY A 68 -6.054 -1.145 15.569 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.525 -1.106 17.977 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.386 -2.850 17.889 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.534 -2.152 15.596 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.211 -2.174 14.990 1.00 0.00 C ATOM 1044 C CYS A 69 -1.472 -0.846 15.154 1.00 0.00 C ATOM 1045 O CYS A 69 -2.072 0.229 15.139 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.347 -2.497 13.499 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.797 -4.237 13.279 1.00 0.00 S ATOM 0 H CYS A 69 -4.263 -2.448 14.947 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.626 -2.939 15.501 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.105 -1.857 13.048 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.408 -2.288 12.986 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.147 -4.729 12.266 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.146 -0.939 15.215 1.00 0.00 N ATOM 1054 CA ASP A 70 0.764 0.200 15.230 1.00 0.00 C ATOM 1055 C ASP A 70 1.457 0.216 13.871 1.00 0.00 C ATOM 1056 O ASP A 70 1.850 -0.851 13.387 1.00 0.00 O ATOM 1057 CB ASP A 70 1.757 0.037 16.380 1.00 0.00 C ATOM 1058 CG ASP A 70 2.811 1.154 16.353 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.433 2.344 16.417 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.022 0.846 16.290 1.00 0.00 O ATOM 0 H ASP A 70 0.338 -1.836 15.257 1.00 0.00 H new ATOM 0 HA ASP A 70 0.247 1.146 15.390 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.225 0.056 17.331 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.247 -0.934 16.308 1.00 0.00 H new ATOM 1065 N CYS A 71 1.588 1.394 13.252 1.00 0.00 N ATOM 1066 CA CYS A 71 2.004 1.523 11.859 1.00 0.00 C ATOM 1067 C CYS A 71 2.885 2.744 11.590 1.00 0.00 C ATOM 1068 O CYS A 71 2.900 3.692 12.377 1.00 0.00 O ATOM 1069 CB CYS A 71 0.735 1.670 11.006 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.259 0.161 11.062 1.00 0.00 S ATOM 0 H CYS A 71 1.406 2.287 13.709 1.00 0.00 H new ATOM 0 HA CYS A 71 2.592 0.638 11.614 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.145 2.512 11.367 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.009 1.892 9.975 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.781 0.029 12.245 1.00 0.00 H new ATOM 1076 N GLU A 72 3.544 2.746 10.427 1.00 0.00 N ATOM 1077 CA GLU A 72 4.309 3.862 9.875 1.00 0.00 C ATOM 1078 C GLU A 72 4.242 3.767 8.346 1.00 0.00 C ATOM 1079 O GLU A 72 4.394 2.671 7.805 1.00 0.00 O ATOM 1080 CB GLU A 72 5.792 3.746 10.286 1.00 0.00 C ATOM 1081 CG GLU A 72 6.106 4.014 11.767 1.00 0.00 C ATOM 1082 CD GLU A 72 5.752 5.437 12.252 1.00 0.00 C ATOM 1083 OE1 GLU A 72 5.724 6.391 11.442 1.00 0.00 O ATOM 1084 OE2 GLU A 72 5.569 5.630 13.476 1.00 0.00 O ATOM 0 H GLU A 72 3.557 1.928 9.817 1.00 0.00 H new ATOM 0 HA GLU A 72 3.898 4.802 10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.139 2.743 10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.371 4.443 9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.564 3.291 12.376 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.169 3.840 11.937 1.00 0.00 H new ATOM 1091 N CYS A 73 4.022 4.874 7.629 1.00 0.00 N ATOM 1092 CA CYS A 73 4.182 4.885 6.176 1.00 0.00 C ATOM 1093 C CYS A 73 5.693 4.845 5.897 1.00 0.00 C ATOM 1094 O CYS A 73 6.447 5.680 6.404 1.00 0.00 O ATOM 1095 CB CYS A 73 3.486 6.097 5.519 1.00 0.00 C ATOM 1096 SG CYS A 73 3.822 7.620 6.448 1.00 0.00 S ATOM 0 H CYS A 73 3.735 5.767 8.030 1.00 0.00 H new ATOM 0 HA CYS A 73 3.694 4.018 5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.834 6.209 4.492 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.411 5.924 5.474 1.00 0.00 H new ATOM 0 HG CYS A 73 4.071 8.589 5.618 1.00 0.00 H new ATOM 1102 N LEU A 74 6.151 3.871 5.107 1.00 0.00 N ATOM 1103 CA LEU A 74 7.538 3.809 4.654 1.00 0.00 C ATOM 1104 C LEU A 74 7.787 4.845 3.553 1.00 0.00 C ATOM 1105 O LEU A 74 8.927 5.268 3.360 1.00 0.00 O ATOM 1106 CB LEU A 74 7.888 2.393 4.161 1.00 0.00 C ATOM 1107 CG LEU A 74 7.793 1.281 5.227 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.359 -0.029 4.665 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.541 1.624 6.523 1.00 0.00 C ATOM 0 H LEU A 74 5.570 3.105 4.765 1.00 0.00 H new ATOM 0 HA LEU A 74 8.187 4.042 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.224 2.139 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.902 2.405 3.762 1.00 0.00 H new ATOM 0 HG LEU A 74 6.736 1.178 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.289 -0.810 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.787 -0.324 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.403 0.115 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.436 0.803 7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.597 1.781 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.122 2.532 6.956 1.00 0.00 H new ATOM 1121 N GLY A 75 6.735 5.275 2.849 1.00 0.00 N ATOM 1122 CA GLY A 75 6.769 6.368 1.893 1.00 0.00 C ATOM 1123 C GLY A 75 5.472 6.397 1.094 1.00 0.00 C ATOM 1124 O GLY A 75 4.553 5.612 1.360 1.00 0.00 O ATOM 0 H GLY A 75 5.810 4.853 2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.906 7.315 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.618 6.248 1.220 1.00 0.00 H new ATOM 1128 N GLY A 76 5.420 7.276 0.095 1.00 0.00 N ATOM 1129 CA GLY A 76 4.311 7.383 -0.838 1.00 0.00 C ATOM 1130 C GLY A 76 4.794 7.225 -2.273 1.00 0.00 C ATOM 1131 O GLY A 76 5.998 7.237 -2.551 1.00 0.00 O ATOM 0 H GLY A 76 6.167 7.946 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.567 6.619 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.822 8.350 -0.719 1.00 0.00 H new ATOM 1135 N GLY A 77 3.840 7.060 -3.179 1.00 0.00 N ATOM 1136 CA GLY A 77 4.061 6.768 -4.579 1.00 0.00 C ATOM 1137 C GLY A 77 2.738 6.839 -5.328 1.00 0.00 C ATOM 1138 O GLY A 77 1.751 7.386 -4.839 1.00 0.00 O ATOM 0 H GLY A 77 2.850 7.130 -2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.769 7.480 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.501 5.777 -4.690 1.00 0.00 H new ATOM 1142 N ARG A 78 2.698 6.314 -6.543 1.00 0.00 N ATOM 1143 CA ARG A 78 1.592 6.480 -7.473 1.00 0.00 C ATOM 1144 C ARG A 78 1.525 5.227 -8.337 1.00 0.00 C ATOM 1145 O ARG A 78 2.548 4.569 -8.540 1.00 0.00 O ATOM 1146 CB ARG A 78 1.888 7.777 -8.244 1.00 0.00 C ATOM 1147 CG ARG A 78 0.767 8.339 -9.124 1.00 0.00 C ATOM 1148 CD ARG A 78 1.227 9.723 -9.609 1.00 0.00 C ATOM 1149 NE ARG A 78 0.238 10.379 -10.477 1.00 0.00 N ATOM 1150 CZ ARG A 78 0.224 11.684 -10.784 1.00 0.00 C ATOM 1151 NH1 ARG A 78 1.122 12.520 -10.261 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -0.701 12.154 -11.614 1.00 0.00 N ATOM 0 H ARG A 78 3.456 5.745 -6.920 1.00 0.00 H new ATOM 0 HA ARG A 78 0.611 6.580 -7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.167 8.544 -7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.759 7.603 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.573 7.679 -9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.163 8.417 -8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.425 10.359 -8.746 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.167 9.619 -10.150 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.496 9.795 -10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.832 12.169 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.099 13.510 -10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.395 11.523 -12.014 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.717 13.146 -11.851 1.00 0.00 H new ATOM 1166 N ILE A 79 0.334 4.868 -8.804 1.00 0.00 N ATOM 1167 CA ILE A 79 0.060 3.617 -9.505 1.00 0.00 C ATOM 1168 C ILE A 79 -0.691 3.977 -10.785 1.00 0.00 C ATOM 1169 O ILE A 79 -1.456 4.947 -10.802 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.723 2.645 -8.576 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.201 2.167 -7.429 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.296 1.430 -9.334 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.444 1.211 -6.416 1.00 0.00 C ATOM 0 H ILE A 79 -0.493 5.457 -8.703 1.00 0.00 H new ATOM 0 HA ILE A 79 0.974 3.088 -9.775 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.572 3.195 -8.171 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.069 1.673 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.569 3.042 -6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.832 0.786 -8.637 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.980 1.775 -10.109 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.481 0.870 -9.792 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.288 0.938 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.293 1.703 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.785 0.313 -6.930 1.00 0.00 H new ATOM 1185 N SER A 80 -0.476 3.200 -11.847 1.00 0.00 N ATOM 1186 CA SER A 80 -1.134 3.358 -13.137 1.00 0.00 C ATOM 1187 C SER A 80 -1.236 2.010 -13.864 1.00 0.00 C ATOM 1188 O SER A 80 -0.634 1.013 -13.450 1.00 0.00 O ATOM 1189 CB SER A 80 -0.367 4.397 -13.972 1.00 0.00 C ATOM 1190 OG SER A 80 1.025 4.122 -14.016 1.00 0.00 O ATOM 0 H SER A 80 0.182 2.421 -11.829 1.00 0.00 H new ATOM 0 HA SER A 80 -2.152 3.716 -12.986 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.766 4.412 -14.986 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.527 5.390 -13.551 1.00 0.00 H new ATOM 0 HG SER A 80 1.501 4.751 -13.434 1.00 0.00 H new ATOM 1196 N HIS A 81 -2.022 1.989 -14.942 1.00 0.00 N ATOM 1197 CA HIS A 81 -2.227 0.901 -15.897 1.00 0.00 C ATOM 1198 C HIS A 81 -3.039 1.497 -17.058 1.00 0.00 C ATOM 1199 O HIS A 81 -3.679 2.542 -16.884 1.00 0.00 O ATOM 1200 CB HIS A 81 -2.977 -0.278 -15.245 1.00 0.00 C ATOM 1201 CG HIS A 81 -4.072 0.125 -14.283 1.00 0.00 C ATOM 1202 ND1 HIS A 81 -3.953 0.213 -12.913 1.00 0.00 N ATOM 1203 CD2 HIS A 81 -5.340 0.533 -14.605 1.00 0.00 C ATOM 1204 CE1 HIS A 81 -5.117 0.668 -12.423 1.00 0.00 C ATOM 1205 NE2 HIS A 81 -6.000 0.874 -13.417 1.00 0.00 N ATOM 0 H HIS A 81 -2.580 2.806 -15.190 1.00 0.00 H new ATOM 0 HA HIS A 81 -1.275 0.501 -16.246 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.412 -0.894 -16.032 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.257 -0.900 -14.714 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -3.125 -0.026 -12.367 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.757 0.583 -15.600 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.317 0.844 -11.376 1.00 0.00 H new ATOM 1213 N GLN A 82 -3.040 0.861 -18.232 1.00 0.00 N ATOM 1214 CA GLN A 82 -3.780 1.325 -19.406 1.00 0.00 C ATOM 1215 C GLN A 82 -4.093 0.115 -20.297 1.00 0.00 C ATOM 1216 O GLN A 82 -3.415 -0.907 -20.209 1.00 0.00 O ATOM 1217 CB GLN A 82 -2.923 2.380 -20.153 1.00 0.00 C ATOM 1218 CG GLN A 82 -3.718 3.558 -20.744 1.00 0.00 C ATOM 1219 CD GLN A 82 -4.597 3.162 -21.925 1.00 0.00 C ATOM 1220 OE1 GLN A 82 -4.111 2.663 -22.937 1.00 0.00 O ATOM 1221 NE2 GLN A 82 -5.906 3.303 -21.811 1.00 0.00 N ATOM 0 H GLN A 82 -2.520 -0.001 -18.395 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.722 1.794 -19.120 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.176 2.774 -19.464 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.383 1.884 -20.959 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.344 3.992 -19.964 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.022 4.334 -21.063 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.303 3.718 -20.968 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.520 2.997 -22.566 1.00 0.00 H new ATOM 1230 N SER A 83 -5.060 0.225 -21.208 1.00 0.00 N ATOM 1231 CA SER A 83 -5.343 -0.793 -22.218 1.00 0.00 C ATOM 1232 C SER A 83 -4.104 -1.124 -23.070 1.00 0.00 C ATOM 1233 O SER A 83 -3.922 -2.271 -23.478 1.00 0.00 O ATOM 1234 CB SER A 83 -6.490 -0.297 -23.111 1.00 0.00 C ATOM 1235 OG SER A 83 -7.526 0.291 -22.333 1.00 0.00 O ATOM 0 H SER A 83 -5.677 1.035 -21.265 1.00 0.00 H new ATOM 0 HA SER A 83 -5.631 -1.714 -21.710 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.109 0.432 -23.826 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.892 -1.130 -23.688 1.00 0.00 H new ATOM 0 HG SER A 83 -8.244 0.600 -22.924 1.00 0.00 H new ATOM 1241 N GLN A 84 -3.240 -0.131 -23.312 1.00 0.00 N ATOM 1242 CA GLN A 84 -2.004 -0.258 -24.085 1.00 0.00 C ATOM 1243 C GLN A 84 -0.796 -0.581 -23.182 1.00 0.00 C ATOM 1244 O GLN A 84 0.326 -0.701 -23.676 1.00 0.00 O ATOM 1245 CB GLN A 84 -1.767 1.064 -24.839 1.00 0.00 C ATOM 1246 CG GLN A 84 -2.873 1.387 -25.859 1.00 0.00 C ATOM 1247 CD GLN A 84 -2.802 2.846 -26.308 1.00 0.00 C ATOM 1248 OE1 GLN A 84 -2.325 3.167 -27.395 1.00 0.00 O ATOM 1249 NE2 GLN A 84 -3.270 3.761 -25.474 1.00 0.00 N ATOM 0 H GLN A 84 -3.390 0.815 -22.962 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.108 -1.085 -24.787 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.698 1.879 -24.118 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.809 1.013 -25.356 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.775 0.732 -26.725 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.849 1.187 -25.417 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.663 3.479 -24.576 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.238 4.748 -25.729 1.00 0.00 H new ATOM 1258 N ASP A 85 -0.998 -0.695 -21.866 1.00 0.00 N ATOM 1259 CA ASP A 85 0.043 -0.852 -20.851 1.00 0.00 C ATOM 1260 C ASP A 85 -0.568 -1.662 -19.706 1.00 0.00 C ATOM 1261 O ASP A 85 -0.861 -1.146 -18.625 1.00 0.00 O ATOM 1262 CB ASP A 85 0.565 0.518 -20.392 1.00 0.00 C ATOM 1263 CG ASP A 85 1.673 0.375 -19.337 1.00 0.00 C ATOM 1264 OD1 ASP A 85 2.509 -0.549 -19.468 1.00 0.00 O ATOM 1265 OD2 ASP A 85 1.761 1.234 -18.431 1.00 0.00 O ATOM 0 H ASP A 85 -1.935 -0.679 -21.463 1.00 0.00 H new ATOM 0 HA ASP A 85 0.910 -1.380 -21.248 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.948 1.069 -21.251 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.258 1.102 -19.980 1.00 0.00 H new ATOM 1270 N LYS A 86 -0.899 -2.921 -20.017 1.00 0.00 N ATOM 1271 CA LYS A 86 -1.696 -3.783 -19.144 1.00 0.00 C ATOM 1272 C LYS A 86 -0.967 -4.199 -17.869 1.00 0.00 C ATOM 1273 O LYS A 86 -1.638 -4.501 -16.880 1.00 0.00 O ATOM 1274 CB LYS A 86 -2.188 -5.019 -19.916 1.00 0.00 C ATOM 1275 CG LYS A 86 -3.113 -4.630 -21.082 1.00 0.00 C ATOM 1276 CD LYS A 86 -3.658 -5.867 -21.805 1.00 0.00 C ATOM 1277 CE LYS A 86 -4.565 -5.430 -22.963 1.00 0.00 C ATOM 1278 NZ LYS A 86 -5.106 -6.584 -23.723 1.00 0.00 N ATOM 0 H LYS A 86 -0.618 -3.371 -20.888 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.552 -3.190 -18.823 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.331 -5.573 -20.300 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.720 -5.685 -19.236 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.943 -4.033 -20.705 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.566 -4.006 -21.789 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.834 -6.472 -22.184 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.217 -6.491 -21.108 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.391 -4.837 -22.570 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.003 -4.785 -23.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.712 -6.238 -24.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.320 -7.136 -24.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.666 -7.187 -23.087 1.00 0.00 H new ATOM 1292 N LYS A 87 0.374 -4.239 -17.859 1.00 0.00 N ATOM 1293 CA LYS A 87 1.103 -4.418 -16.603 1.00 0.00 C ATOM 1294 C LYS A 87 0.741 -3.242 -15.697 1.00 0.00 C ATOM 1295 O LYS A 87 0.693 -2.098 -16.157 1.00 0.00 O ATOM 1296 CB LYS A 87 2.624 -4.567 -16.816 1.00 0.00 C ATOM 1297 CG LYS A 87 3.327 -3.298 -17.311 1.00 0.00 C ATOM 1298 CD LYS A 87 4.751 -3.598 -17.797 1.00 0.00 C ATOM 1299 CE LYS A 87 5.490 -2.331 -18.256 1.00 0.00 C ATOM 1300 NZ LYS A 87 4.965 -1.772 -19.526 1.00 0.00 N ATOM 0 H LYS A 87 0.961 -4.152 -18.688 1.00 0.00 H new ATOM 0 HA LYS A 87 0.808 -5.354 -16.128 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.081 -4.876 -15.876 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.800 -5.368 -17.534 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.750 -2.854 -18.123 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.363 -2.563 -16.507 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.314 -4.073 -16.994 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.709 -4.310 -18.621 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.416 -1.573 -17.476 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.548 -2.561 -18.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.505 -0.920 -19.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.059 -2.480 -20.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.962 -1.523 -19.407 1.00 0.00 H new ATOM 1314 N ILE A 88 0.468 -3.507 -14.423 1.00 0.00 N ATOM 1315 CA ILE A 88 0.329 -2.424 -13.458 1.00 0.00 C ATOM 1316 C ILE A 88 1.725 -1.787 -13.353 1.00 0.00 C ATOM 1317 O ILE A 88 2.743 -2.459 -13.541 1.00 0.00 O ATOM 1318 CB ILE A 88 -0.275 -2.958 -12.134 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -1.711 -3.488 -12.375 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -0.288 -1.873 -11.039 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -2.302 -4.265 -11.189 1.00 0.00 C ATOM 0 H ILE A 88 0.341 -4.444 -14.041 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.377 -1.649 -13.757 1.00 0.00 H new ATOM 0 HB ILE A 88 0.357 -3.776 -11.787 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.364 -2.646 -12.605 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.705 -4.135 -13.252 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.718 -2.283 -10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.732 -1.542 -10.843 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.887 -1.026 -11.373 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.308 -4.601 -11.439 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.675 -5.129 -10.971 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.343 -3.617 -10.314 1.00 0.00 H new ATOM 1333 N HIS A 89 1.801 -0.495 -13.055 1.00 0.00 N ATOM 1334 CA HIS A 89 3.067 0.189 -12.871 1.00 0.00 C ATOM 1335 C HIS A 89 2.999 0.997 -11.587 1.00 0.00 C ATOM 1336 O HIS A 89 1.919 1.447 -11.192 1.00 0.00 O ATOM 1337 CB HIS A 89 3.384 1.058 -14.092 1.00 0.00 C ATOM 1338 CG HIS A 89 4.848 1.407 -14.179 1.00 0.00 C ATOM 1339 ND1 HIS A 89 5.866 0.536 -14.498 1.00 0.00 N ATOM 1340 CD2 HIS A 89 5.418 2.632 -13.959 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.018 1.222 -14.490 1.00 0.00 C ATOM 1342 NE2 HIS A 89 6.800 2.509 -14.162 1.00 0.00 N ATOM 0 H HIS A 89 0.984 0.104 -12.935 1.00 0.00 H new ATOM 0 HA HIS A 89 3.881 -0.530 -12.781 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.083 0.532 -14.998 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.796 1.975 -14.046 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.895 3.534 -13.678 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.986 0.800 -14.715 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.499 3.247 -14.078 1.00 0.00 H new ATOM 1350 N VAL A 90 4.151 1.183 -10.949 1.00 0.00 N ATOM 1351 CA VAL A 90 4.285 1.895 -9.690 1.00 0.00 C ATOM 1352 C VAL A 90 5.440 2.881 -9.869 1.00 0.00 C ATOM 1353 O VAL A 90 6.461 2.556 -10.475 1.00 0.00 O ATOM 1354 CB VAL A 90 4.515 0.909 -8.521 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.312 1.623 -7.178 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.584 -0.318 -8.552 1.00 0.00 C ATOM 0 H VAL A 90 5.039 0.831 -11.307 1.00 0.00 H new ATOM 0 HA VAL A 90 3.374 2.437 -9.434 1.00 0.00 H new ATOM 0 HB VAL A 90 5.539 0.555 -8.636 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.477 0.918 -6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.020 2.447 -7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.295 2.011 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.804 -0.963 -7.702 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.546 0.011 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.742 -0.871 -9.478 1.00 0.00 H new ATOM 1366 N TYR A 91 5.260 4.107 -9.395 1.00 0.00 N ATOM 1367 CA TYR A 91 6.163 5.226 -9.605 1.00 0.00 C ATOM 1368 C TYR A 91 5.852 6.274 -8.532 1.00 0.00 C ATOM 1369 O TYR A 91 5.230 5.945 -7.522 1.00 0.00 O ATOM 1370 CB TYR A 91 6.010 5.751 -11.050 1.00 0.00 C ATOM 1371 CG TYR A 91 4.706 6.438 -11.435 1.00 0.00 C ATOM 1372 CD1 TYR A 91 3.487 5.732 -11.476 1.00 0.00 C ATOM 1373 CD2 TYR A 91 4.738 7.784 -11.848 1.00 0.00 C ATOM 1374 CE1 TYR A 91 2.312 6.367 -11.913 1.00 0.00 C ATOM 1375 CE2 TYR A 91 3.571 8.425 -12.294 1.00 0.00 C ATOM 1376 CZ TYR A 91 2.352 7.715 -12.339 1.00 0.00 C ATOM 1377 OH TYR A 91 1.235 8.337 -12.804 1.00 0.00 O ATOM 0 H TYR A 91 4.447 4.357 -8.831 1.00 0.00 H new ATOM 0 HA TYR A 91 7.209 4.938 -9.503 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.823 6.453 -11.236 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.154 4.909 -11.727 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.456 4.697 -11.170 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.670 8.329 -11.821 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.378 5.825 -11.924 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.606 9.460 -12.602 1.00 0.00 H new ATOM 0 HH TYR A 91 1.453 9.260 -13.050 1.00 0.00 H new ATOM 1387 N GLY A 92 6.256 7.528 -8.719 1.00 0.00 N ATOM 1388 CA GLY A 92 5.824 8.628 -7.875 1.00 0.00 C ATOM 1389 C GLY A 92 6.715 8.844 -6.656 1.00 0.00 C ATOM 1390 O GLY A 92 7.748 8.195 -6.465 1.00 0.00 O ATOM 0 H GLY A 92 6.895 7.806 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.803 9.543 -8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.804 8.441 -7.541 1.00 0.00 H new ATOM 1394 N TYR A 93 6.308 9.819 -5.846 1.00 0.00 N ATOM 1395 CA TYR A 93 7.062 10.380 -4.737 1.00 0.00 C ATOM 1396 C TYR A 93 6.065 11.159 -3.873 1.00 0.00 C ATOM 1397 O TYR A 93 5.090 11.701 -4.407 1.00 0.00 O ATOM 1398 CB TYR A 93 8.148 11.297 -5.338 1.00 0.00 C ATOM 1399 CG TYR A 93 8.706 12.382 -4.440 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.052 13.627 -4.366 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.899 12.173 -3.726 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.578 14.657 -3.572 1.00 0.00 C ATOM 1403 CE2 TYR A 93 10.432 13.199 -2.923 1.00 0.00 C ATOM 1404 CZ TYR A 93 9.769 14.447 -2.839 1.00 0.00 C ATOM 1405 OH TYR A 93 10.273 15.457 -2.075 1.00 0.00 O ATOM 0 H TYR A 93 5.394 10.259 -5.955 1.00 0.00 H new ATOM 0 HA TYR A 93 7.551 9.627 -4.119 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.977 10.670 -5.667 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.735 11.773 -6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.141 13.790 -4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.408 11.223 -3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.073 15.610 -3.521 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.346 13.034 -2.372 1.00 0.00 H new ATOM 0 HH TYR A 93 11.094 15.155 -1.633 1.00 0.00 H new ATOM 1415 N SER A 94 6.329 11.247 -2.569 1.00 0.00 N ATOM 1416 CA SER A 94 5.615 12.083 -1.612 1.00 0.00 C ATOM 1417 C SER A 94 6.622 13.093 -1.071 1.00 0.00 C ATOM 1418 O SER A 94 7.793 12.746 -0.884 1.00 0.00 O ATOM 1419 CB SER A 94 5.062 11.194 -0.489 1.00 0.00 C ATOM 1420 OG SER A 94 4.740 11.918 0.679 1.00 0.00 O ATOM 0 H SER A 94 7.081 10.712 -2.135 1.00 0.00 H new ATOM 0 HA SER A 94 4.774 12.605 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.171 10.678 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.798 10.428 -0.244 1.00 0.00 H new ATOM 0 HG SER A 94 4.235 12.722 0.437 1.00 0.00 H new ATOM 1426 N MET A 95 6.176 14.315 -0.771 1.00 0.00 N ATOM 1427 CA MET A 95 7.044 15.297 -0.138 1.00 0.00 C ATOM 1428 C MET A 95 6.996 15.142 1.380 1.00 0.00 C ATOM 1429 O MET A 95 8.025 15.340 2.030 1.00 0.00 O ATOM 1430 CB MET A 95 6.709 16.728 -0.581 1.00 0.00 C ATOM 1431 CG MET A 95 5.307 17.203 -0.182 1.00 0.00 C ATOM 1432 SD MET A 95 4.937 18.929 -0.624 1.00 0.00 S ATOM 1433 CE MET A 95 5.989 19.820 0.557 1.00 0.00 C ATOM 0 H MET A 95 5.227 14.641 -0.956 1.00 0.00 H new ATOM 0 HA MET A 95 8.066 15.108 -0.465 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.445 17.409 -0.154 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.806 16.792 -1.665 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.570 16.555 -0.655 1.00 0.00 H new ATOM 0 HG3 MET A 95 5.191 17.085 0.895 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.755 20.884 0.521 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.807 19.442 1.563 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.037 19.670 0.296 1.00 0.00 H new ATOM 1443 N ALA A 96 5.846 14.774 1.962 1.00 0.00 N ATOM 1444 CA ALA A 96 5.747 14.625 3.409 1.00 0.00 C ATOM 1445 C ALA A 96 6.411 13.332 3.899 1.00 0.00 C ATOM 1446 O ALA A 96 6.864 13.298 5.046 1.00 0.00 O ATOM 1447 CB ALA A 96 4.283 14.677 3.849 1.00 0.00 C ATOM 0 H ALA A 96 4.984 14.577 1.454 1.00 0.00 H new ATOM 0 HA ALA A 96 6.285 15.458 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.224 14.564 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.850 15.635 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.730 13.869 3.370 1.00 0.00 H new ATOM 1453 N TYR A 97 6.503 12.296 3.055 1.00 0.00 N ATOM 1454 CA TYR A 97 6.912 10.956 3.480 1.00 0.00 C ATOM 1455 C TYR A 97 8.004 10.335 2.597 1.00 0.00 C ATOM 1456 O TYR A 97 8.523 9.272 2.941 1.00 0.00 O ATOM 1457 CB TYR A 97 5.667 10.058 3.548 1.00 0.00 C ATOM 1458 CG TYR A 97 4.522 10.648 4.358 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.603 10.695 5.763 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.403 11.203 3.709 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.558 11.257 6.518 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.354 11.761 4.455 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.425 11.794 5.867 1.00 0.00 C ATOM 1464 OH TYR A 97 1.432 12.363 6.608 1.00 0.00 O ATOM 0 H TYR A 97 6.295 12.366 2.059 1.00 0.00 H new ATOM 0 HA TYR A 97 7.367 11.044 4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.318 9.861 2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.947 9.098 3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.473 10.297 6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.352 11.199 2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.622 11.278 7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.490 12.166 3.950 1.00 0.00 H new ATOM 0 HH TYR A 97 0.724 12.686 6.013 1.00 0.00 H new ATOM 1474 N GLY A 98 8.398 10.991 1.501 1.00 0.00 N ATOM 1475 CA GLY A 98 9.445 10.508 0.606 1.00 0.00 C ATOM 1476 C GLY A 98 8.950 9.390 -0.319 1.00 0.00 C ATOM 1477 O GLY A 98 7.809 8.932 -0.192 1.00 0.00 O ATOM 0 H GLY A 98 7.993 11.881 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.816 11.337 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.285 10.142 1.197 1.00 0.00 H new ATOM 1481 N PRO A 99 9.781 8.947 -1.277 1.00 0.00 N ATOM 1482 CA PRO A 99 9.435 7.856 -2.175 1.00 0.00 C ATOM 1483 C PRO A 99 9.439 6.532 -1.399 1.00 0.00 C ATOM 1484 O PRO A 99 10.357 6.254 -0.621 1.00 0.00 O ATOM 1485 CB PRO A 99 10.494 7.892 -3.280 1.00 0.00 C ATOM 1486 CG PRO A 99 11.726 8.476 -2.585 1.00 0.00 C ATOM 1487 CD PRO A 99 11.148 9.396 -1.507 1.00 0.00 C ATOM 0 HA PRO A 99 8.438 7.952 -2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.693 6.896 -3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.176 8.512 -4.119 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.346 7.693 -2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.354 9.028 -3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.736 9.339 -0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.166 10.436 -1.833 1.00 0.00 H new ATOM 1495 N ALA A 100 8.406 5.715 -1.604 1.00 0.00 N ATOM 1496 CA ALA A 100 8.294 4.395 -0.998 1.00 0.00 C ATOM 1497 C ALA A 100 9.302 3.393 -1.584 1.00 0.00 C ATOM 1498 O ALA A 100 9.882 3.607 -2.651 1.00 0.00 O ATOM 1499 CB ALA A 100 6.872 3.884 -1.221 1.00 0.00 C ATOM 0 H ALA A 100 7.616 5.957 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 100 8.518 4.485 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.766 2.895 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.162 4.569 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.671 3.822 -2.291 1.00 0.00 H new ATOM 1505 N GLN A 101 9.455 2.255 -0.899 1.00 0.00 N ATOM 1506 CA GLN A 101 10.190 1.085 -1.375 1.00 0.00 C ATOM 1507 C GLN A 101 9.320 0.326 -2.382 1.00 0.00 C ATOM 1508 O GLN A 101 8.759 -0.725 -2.070 1.00 0.00 O ATOM 1509 CB GLN A 101 10.606 0.196 -0.191 1.00 0.00 C ATOM 1510 CG GLN A 101 11.793 0.786 0.572 1.00 0.00 C ATOM 1511 CD GLN A 101 12.174 -0.069 1.782 1.00 0.00 C ATOM 1512 OE1 GLN A 101 11.764 0.199 2.908 1.00 0.00 O ATOM 1513 NE2 GLN A 101 12.964 -1.114 1.585 1.00 0.00 N ATOM 0 H GLN A 101 9.057 2.122 0.031 1.00 0.00 H new ATOM 0 HA GLN A 101 11.106 1.397 -1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.761 0.075 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.866 -0.798 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.649 0.870 -0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.547 1.795 0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.300 -1.330 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 101 13.236 -1.703 2.372 1.00 0.00 H new ATOM 1522 N HIS A 102 9.201 0.871 -3.593 1.00 0.00 N ATOM 1523 CA HIS A 102 8.356 0.348 -4.666 1.00 0.00 C ATOM 1524 C HIS A 102 8.607 -1.124 -5.018 1.00 0.00 C ATOM 1525 O HIS A 102 7.708 -1.787 -5.535 1.00 0.00 O ATOM 1526 CB HIS A 102 8.500 1.262 -5.890 1.00 0.00 C ATOM 1527 CG HIS A 102 7.961 2.643 -5.612 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.621 3.853 -5.678 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.722 2.895 -5.097 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.791 4.800 -5.210 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.616 4.263 -4.846 1.00 0.00 N ATOM 0 H HIS A 102 9.706 1.715 -3.862 1.00 0.00 H new ATOM 0 HA HIS A 102 7.328 0.356 -4.305 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.550 1.330 -6.174 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.969 0.826 -6.736 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.570 4.002 -6.021 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.953 2.159 -4.915 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.036 5.849 -5.137 1.00 0.00 H new ATOM 1539 N ALA A 103 9.792 -1.652 -4.698 1.00 0.00 N ATOM 1540 CA ALA A 103 10.122 -3.063 -4.850 1.00 0.00 C ATOM 1541 C ALA A 103 9.187 -3.959 -4.023 1.00 0.00 C ATOM 1542 O ALA A 103 8.767 -5.021 -4.489 1.00 0.00 O ATOM 1543 CB ALA A 103 11.578 -3.264 -4.413 1.00 0.00 C ATOM 0 H ALA A 103 10.559 -1.097 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 103 9.993 -3.349 -5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.848 -4.315 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.233 -2.657 -5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.690 -2.963 -3.371 1.00 0.00 H new ATOM 1549 N ILE A 104 8.856 -3.542 -2.794 1.00 0.00 N ATOM 1550 CA ILE A 104 7.949 -4.282 -1.921 1.00 0.00 C ATOM 1551 C ILE A 104 6.580 -4.317 -2.607 1.00 0.00 C ATOM 1552 O ILE A 104 5.954 -5.374 -2.707 1.00 0.00 O ATOM 1553 CB ILE A 104 7.880 -3.612 -0.523 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.281 -3.459 0.115 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.953 -4.407 0.416 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.277 -2.665 1.427 1.00 0.00 C ATOM 0 H ILE A 104 9.213 -2.680 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 104 8.302 -5.301 -1.760 1.00 0.00 H new ATOM 0 HB ILE A 104 7.470 -2.612 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.696 -4.450 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.943 -2.965 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.919 -3.921 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.949 -4.442 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.334 -5.422 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.293 -2.599 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.893 -1.662 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.642 -3.169 2.156 1.00 0.00 H new ATOM 1568 N SER A 105 6.139 -3.161 -3.107 1.00 0.00 N ATOM 1569 CA SER A 105 4.844 -2.978 -3.727 1.00 0.00 C ATOM 1570 C SER A 105 4.695 -3.917 -4.916 1.00 0.00 C ATOM 1571 O SER A 105 3.709 -4.647 -4.978 1.00 0.00 O ATOM 1572 CB SER A 105 4.667 -1.511 -4.149 1.00 0.00 C ATOM 1573 OG SER A 105 5.411 -0.671 -3.286 1.00 0.00 O ATOM 0 H SER A 105 6.696 -2.307 -3.086 1.00 0.00 H new ATOM 0 HA SER A 105 4.062 -3.221 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.000 -1.376 -5.178 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.612 -1.238 -4.117 1.00 0.00 H new ATOM 0 HG SER A 105 4.999 0.218 -3.259 1.00 0.00 H new ATOM 1579 N THR A 106 5.656 -3.950 -5.841 1.00 0.00 N ATOM 1580 CA THR A 106 5.493 -4.739 -7.048 1.00 0.00 C ATOM 1581 C THR A 106 5.431 -6.227 -6.734 1.00 0.00 C ATOM 1582 O THR A 106 4.549 -6.894 -7.269 1.00 0.00 O ATOM 1583 CB THR A 106 6.569 -4.395 -8.083 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.863 -4.394 -7.512 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.280 -3.003 -8.642 1.00 0.00 C ATOM 0 H THR A 106 6.540 -3.445 -5.774 1.00 0.00 H new ATOM 0 HA THR A 106 4.534 -4.480 -7.497 1.00 0.00 H new ATOM 0 HB THR A 106 6.543 -5.151 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.345 -3.589 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.038 -2.743 -9.381 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.297 -2.997 -9.113 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.299 -2.274 -7.832 1.00 0.00 H new ATOM 1593 N GLU A 107 6.273 -6.753 -5.840 1.00 0.00 N ATOM 1594 CA GLU A 107 6.215 -8.173 -5.509 1.00 0.00 C ATOM 1595 C GLU A 107 4.849 -8.536 -4.907 1.00 0.00 C ATOM 1596 O GLU A 107 4.262 -9.555 -5.280 1.00 0.00 O ATOM 1597 CB GLU A 107 7.375 -8.564 -4.579 1.00 0.00 C ATOM 1598 CG GLU A 107 8.756 -8.446 -5.249 1.00 0.00 C ATOM 1599 CD GLU A 107 8.900 -9.340 -6.493 1.00 0.00 C ATOM 1600 OE1 GLU A 107 9.142 -10.560 -6.344 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.787 -8.825 -7.628 1.00 0.00 O ATOM 0 H GLU A 107 6.990 -6.225 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 107 6.328 -8.749 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.352 -7.928 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.230 -9.589 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.928 -7.408 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.528 -8.711 -4.527 1.00 0.00 H new ATOM 1608 N LYS A 108 4.296 -7.682 -4.037 1.00 0.00 N ATOM 1609 CA LYS A 108 2.972 -7.905 -3.460 1.00 0.00 C ATOM 1610 C LYS A 108 1.879 -7.815 -4.527 1.00 0.00 C ATOM 1611 O LYS A 108 1.002 -8.677 -4.575 1.00 0.00 O ATOM 1612 CB LYS A 108 2.716 -6.896 -2.331 1.00 0.00 C ATOM 1613 CG LYS A 108 3.542 -7.187 -1.073 1.00 0.00 C ATOM 1614 CD LYS A 108 3.297 -6.105 -0.010 1.00 0.00 C ATOM 1615 CE LYS A 108 3.964 -6.495 1.314 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.084 -7.334 2.161 1.00 0.00 N ATOM 0 H LYS A 108 4.751 -6.827 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 108 2.943 -8.913 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.948 -5.892 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.657 -6.906 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.276 -8.165 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.602 -7.224 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.692 -5.150 -0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.226 -5.971 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.888 -7.035 1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.237 -5.592 1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.665 -7.897 2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.443 -6.724 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.526 -7.971 1.557 1.00 0.00 H new ATOM 1630 N ILE A 109 1.908 -6.796 -5.389 1.00 0.00 N ATOM 1631 CA ILE A 109 0.880 -6.595 -6.410 1.00 0.00 C ATOM 1632 C ILE A 109 0.931 -7.770 -7.404 1.00 0.00 C ATOM 1633 O ILE A 109 -0.125 -8.295 -7.754 1.00 0.00 O ATOM 1634 CB ILE A 109 1.017 -5.189 -7.058 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.808 -4.051 -6.023 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.023 -4.961 -8.177 1.00 0.00 C ATOM 1637 CD1 ILE A 109 1.368 -2.704 -6.504 1.00 0.00 C ATOM 0 H ILE A 109 2.643 -6.089 -5.398 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.117 -6.600 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 109 2.028 -5.162 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.257 -3.944 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.289 -4.326 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 109 0.111 -3.966 -8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.113 -5.709 -8.958 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.028 -5.047 -7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 109 1.194 -1.945 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.439 -2.799 -6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.869 -2.411 -7.428 1.00 0.00 H new ATOM 1649 N LYS A 110 2.118 -8.256 -7.806 1.00 0.00 N ATOM 1650 CA LYS A 110 2.231 -9.443 -8.665 1.00 0.00 C ATOM 1651 C LYS A 110 1.564 -10.639 -7.988 1.00 0.00 C ATOM 1652 O LYS A 110 0.821 -11.365 -8.645 1.00 0.00 O ATOM 1653 CB LYS A 110 3.699 -9.801 -8.966 1.00 0.00 C ATOM 1654 CG LYS A 110 4.468 -8.812 -9.856 1.00 0.00 C ATOM 1655 CD LYS A 110 5.967 -9.139 -9.794 1.00 0.00 C ATOM 1656 CE LYS A 110 6.822 -8.085 -10.504 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.270 -8.345 -10.310 1.00 0.00 N ATOM 0 H LYS A 110 3.014 -7.842 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 110 1.734 -9.208 -9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.230 -9.895 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.722 -10.781 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.112 -8.876 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.292 -7.790 -9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.277 -9.214 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.143 -10.113 -10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.590 -8.083 -11.569 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.574 -7.095 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.822 -7.578 -10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.481 -8.390 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.523 -9.249 -10.757 1.00 0.00 H new ATOM 1671 N ALA A 111 1.804 -10.839 -6.686 1.00 0.00 N ATOM 1672 CA ALA A 111 1.222 -11.953 -5.949 1.00 0.00 C ATOM 1673 C ALA A 111 -0.310 -11.870 -5.915 1.00 0.00 C ATOM 1674 O ALA A 111 -0.969 -12.904 -6.034 1.00 0.00 O ATOM 1675 CB ALA A 111 1.803 -12.016 -4.531 1.00 0.00 C ATOM 0 H ALA A 111 2.403 -10.235 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 111 1.483 -12.874 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.359 -12.853 -3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.883 -12.152 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.581 -11.087 -4.005 1.00 0.00 H new ATOM 1681 N LYS A 112 -0.893 -10.671 -5.767 1.00 0.00 N ATOM 1682 CA LYS A 112 -2.350 -10.516 -5.796 1.00 0.00 C ATOM 1683 C LYS A 112 -2.914 -10.694 -7.212 1.00 0.00 C ATOM 1684 O LYS A 112 -4.018 -11.221 -7.350 1.00 0.00 O ATOM 1685 CB LYS A 112 -2.782 -9.181 -5.166 1.00 0.00 C ATOM 1686 CG LYS A 112 -4.321 -9.104 -5.119 1.00 0.00 C ATOM 1687 CD LYS A 112 -4.859 -8.223 -3.994 1.00 0.00 C ATOM 1688 CE LYS A 112 -6.395 -8.238 -3.993 1.00 0.00 C ATOM 1689 NZ LYS A 112 -6.957 -7.739 -2.714 1.00 0.00 N ATOM 0 H LYS A 112 -0.379 -9.801 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.777 -11.313 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.373 -9.093 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.384 -8.348 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.686 -8.723 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.723 -10.111 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.485 -8.578 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.499 -7.202 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.764 -7.624 -4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.747 -9.254 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.915 -7.368 -2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.000 -8.518 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.351 -6.981 -2.341 1.00 0.00 H new ATOM 1703 N TYR A 113 -2.176 -10.303 -8.255 1.00 0.00 N ATOM 1704 CA TYR A 113 -2.677 -10.239 -9.627 1.00 0.00 C ATOM 1705 C TYR A 113 -1.777 -11.043 -10.585 1.00 0.00 C ATOM 1706 O TYR A 113 -1.187 -10.463 -11.499 1.00 0.00 O ATOM 1707 CB TYR A 113 -2.844 -8.764 -10.041 1.00 0.00 C ATOM 1708 CG TYR A 113 -3.773 -7.951 -9.153 1.00 0.00 C ATOM 1709 CD1 TYR A 113 -5.166 -8.157 -9.203 1.00 0.00 C ATOM 1710 CD2 TYR A 113 -3.245 -6.984 -8.277 1.00 0.00 C ATOM 1711 CE1 TYR A 113 -6.023 -7.404 -8.381 1.00 0.00 C ATOM 1712 CE2 TYR A 113 -4.094 -6.218 -7.458 1.00 0.00 C ATOM 1713 CZ TYR A 113 -5.492 -6.429 -7.505 1.00 0.00 C ATOM 1714 OH TYR A 113 -6.332 -5.714 -6.705 1.00 0.00 O ATOM 0 H TYR A 113 -1.200 -10.019 -8.167 1.00 0.00 H new ATOM 0 HA TYR A 113 -3.659 -10.709 -9.685 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -1.863 -8.290 -10.046 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -3.220 -8.729 -11.064 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -5.577 -8.896 -9.875 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -2.177 -6.829 -8.233 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -7.089 -7.571 -8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -3.680 -5.472 -6.796 1.00 0.00 H new ATOM 0 HH TYR A 113 -5.811 -5.086 -6.162 1.00 0.00 H new ATOM 1724 N PRO A 114 -1.656 -12.377 -10.420 1.00 0.00 N ATOM 1725 CA PRO A 114 -0.771 -13.202 -11.243 1.00 0.00 C ATOM 1726 C PRO A 114 -1.253 -13.333 -12.698 1.00 0.00 C ATOM 1727 O PRO A 114 -0.482 -13.755 -13.562 1.00 0.00 O ATOM 1728 CB PRO A 114 -0.715 -14.561 -10.538 1.00 0.00 C ATOM 1729 CG PRO A 114 -2.074 -14.655 -9.848 1.00 0.00 C ATOM 1730 CD PRO A 114 -2.347 -13.208 -9.442 1.00 0.00 C ATOM 0 HA PRO A 114 0.215 -12.745 -11.329 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -0.566 -15.376 -11.246 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.104 -14.609 -9.821 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.843 -15.039 -10.519 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.044 -15.319 -8.984 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.417 -12.999 -9.439 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.981 -13.010 -8.434 1.00 0.00 H new ATOM 1738 N ASP A 115 -2.508 -12.967 -12.992 1.00 0.00 N ATOM 1739 CA ASP A 115 -3.041 -12.874 -14.357 1.00 0.00 C ATOM 1740 C ASP A 115 -2.448 -11.682 -15.133 1.00 0.00 C ATOM 1741 O ASP A 115 -2.653 -11.558 -16.342 1.00 0.00 O ATOM 1742 CB ASP A 115 -4.572 -12.772 -14.300 1.00 0.00 C ATOM 1743 CG ASP A 115 -5.216 -12.860 -15.696 1.00 0.00 C ATOM 1744 OD1 ASP A 115 -5.035 -13.889 -16.387 1.00 0.00 O ATOM 1745 OD2 ASP A 115 -5.966 -11.937 -16.085 1.00 0.00 O ATOM 0 H ASP A 115 -3.192 -12.723 -12.276 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.751 -13.776 -14.895 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -4.964 -13.571 -13.671 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.854 -11.829 -13.831 1.00 0.00 H new ATOM 1750 N TYR A 116 -1.686 -10.821 -14.452 1.00 0.00 N ATOM 1751 CA TYR A 116 -1.028 -9.632 -14.978 1.00 0.00 C ATOM 1752 C TYR A 116 0.452 -9.674 -14.564 1.00 0.00 C ATOM 1753 O TYR A 116 0.943 -10.680 -14.043 1.00 0.00 O ATOM 1754 CB TYR A 116 -1.746 -8.374 -14.444 1.00 0.00 C ATOM 1755 CG TYR A 116 -3.186 -8.217 -14.901 1.00 0.00 C ATOM 1756 CD1 TYR A 116 -3.472 -7.523 -16.093 1.00 0.00 C ATOM 1757 CD2 TYR A 116 -4.239 -8.749 -14.132 1.00 0.00 C ATOM 1758 CE1 TYR A 116 -4.803 -7.361 -16.518 1.00 0.00 C ATOM 1759 CE2 TYR A 116 -5.573 -8.591 -14.549 1.00 0.00 C ATOM 1760 CZ TYR A 116 -5.861 -7.896 -15.747 1.00 0.00 C ATOM 1761 OH TYR A 116 -7.148 -7.728 -16.166 1.00 0.00 O ATOM 0 H TYR A 116 -1.504 -10.948 -13.456 1.00 0.00 H new ATOM 0 HA TYR A 116 -1.079 -9.600 -16.066 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -1.726 -8.397 -13.354 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -1.184 -7.493 -14.754 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -2.666 -7.113 -16.683 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -4.021 -9.281 -13.218 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -5.017 -6.828 -17.433 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -6.377 -9.000 -13.955 1.00 0.00 H new ATOM 0 HH TYR A 116 -7.758 -8.154 -15.528 1.00 0.00 H new ATOM 1771 N GLU A 117 1.172 -8.579 -14.793 1.00 0.00 N ATOM 1772 CA GLU A 117 2.534 -8.361 -14.327 1.00 0.00 C ATOM 1773 C GLU A 117 2.586 -6.943 -13.762 1.00 0.00 C ATOM 1774 O GLU A 117 1.644 -6.161 -13.946 1.00 0.00 O ATOM 1775 CB GLU A 117 3.525 -8.588 -15.483 1.00 0.00 C ATOM 1776 CG GLU A 117 4.949 -8.873 -14.975 1.00 0.00 C ATOM 1777 CD GLU A 117 5.873 -9.342 -16.113 1.00 0.00 C ATOM 1778 OE1 GLU A 117 6.394 -8.495 -16.873 1.00 0.00 O ATOM 1779 OE2 GLU A 117 6.103 -10.566 -16.250 1.00 0.00 O ATOM 0 H GLU A 117 0.807 -7.791 -15.328 1.00 0.00 H new ATOM 0 HA GLU A 117 2.821 -9.065 -13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.184 -9.424 -16.094 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.539 -7.708 -16.126 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.360 -7.972 -14.519 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.913 -9.636 -14.197 1.00 0.00 H new ATOM 1786 N VAL A 118 3.671 -6.604 -13.069 1.00 0.00 N ATOM 1787 CA VAL A 118 3.849 -5.299 -12.461 1.00 0.00 C ATOM 1788 C VAL A 118 5.317 -4.918 -12.607 1.00 0.00 C ATOM 1789 O VAL A 118 6.188 -5.780 -12.461 1.00 0.00 O ATOM 1790 CB VAL A 118 3.430 -5.298 -10.975 1.00 0.00 C ATOM 1791 CG1 VAL A 118 3.167 -3.863 -10.496 1.00 0.00 C ATOM 1792 CG2 VAL A 118 2.184 -6.142 -10.669 1.00 0.00 C ATOM 0 H VAL A 118 4.455 -7.238 -12.916 1.00 0.00 H new ATOM 0 HA VAL A 118 3.211 -4.572 -12.963 1.00 0.00 H new ATOM 0 HB VAL A 118 4.267 -5.750 -10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.872 -3.878 -9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.074 -3.269 -10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.367 -3.422 -11.091 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.959 -6.086 -9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.337 -5.760 -11.239 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.370 -7.179 -10.947 1.00 0.00 H new ATOM 1802 N THR A 119 5.591 -3.639 -12.836 1.00 0.00 N ATOM 1803 CA THR A 119 6.937 -3.085 -12.861 1.00 0.00 C ATOM 1804 C THR A 119 6.943 -1.762 -12.093 1.00 0.00 C ATOM 1805 O THR A 119 5.887 -1.255 -11.698 1.00 0.00 O ATOM 1806 CB THR A 119 7.414 -2.927 -14.317 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.459 -2.241 -15.108 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.692 -4.285 -14.961 1.00 0.00 C ATOM 0 H THR A 119 4.866 -2.944 -13.013 1.00 0.00 H new ATOM 0 HA THR A 119 7.639 -3.760 -12.371 1.00 0.00 H new ATOM 0 HB THR A 119 8.335 -2.345 -14.278 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.365 -1.321 -14.783 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.027 -4.139 -15.988 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.467 -4.803 -14.397 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.780 -4.883 -14.958 1.00 0.00 H new ATOM 1816 N TRP A 120 8.128 -1.193 -11.872 1.00 0.00 N ATOM 1817 CA TRP A 120 8.245 0.137 -11.295 1.00 0.00 C ATOM 1818 C TRP A 120 9.440 0.876 -11.881 1.00 0.00 C ATOM 1819 O TRP A 120 10.402 0.261 -12.350 1.00 0.00 O ATOM 1820 CB TRP A 120 8.317 0.076 -9.760 1.00 0.00 C ATOM 1821 CG TRP A 120 9.558 -0.497 -9.146 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.816 -1.811 -8.966 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.706 0.212 -8.582 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.033 -1.969 -8.340 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.618 -0.755 -8.058 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.060 1.574 -8.438 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 12.813 -0.392 -7.418 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.255 1.944 -7.790 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.130 0.968 -7.281 1.00 0.00 C ATOM 0 H TRP A 120 9.021 -1.638 -12.086 1.00 0.00 H new ATOM 0 HA TRP A 120 7.347 0.697 -11.554 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.189 1.089 -9.377 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.467 -0.508 -9.407 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.165 -2.618 -9.268 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.449 -2.873 -8.114 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.406 2.339 -8.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.480 -1.150 -7.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.502 2.990 -7.683 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.043 1.264 -6.786 1.00 0.00 H new ATOM 1840 N ALA A 121 9.364 2.203 -11.835 1.00 0.00 N ATOM 1841 CA ALA A 121 10.412 3.145 -12.188 1.00 0.00 C ATOM 1842 C ALA A 121 10.077 4.399 -11.387 1.00 0.00 C ATOM 1843 O ALA A 121 8.925 4.831 -11.408 1.00 0.00 O ATOM 1844 CB ALA A 121 10.375 3.419 -13.698 1.00 0.00 C ATOM 0 H ALA A 121 8.513 2.675 -11.530 1.00 0.00 H new ATOM 0 HA ALA A 121 11.414 2.779 -11.964 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.163 4.126 -13.959 1.00 0.00 H new ATOM 0 HB2 ALA A 121 10.530 2.487 -14.241 1.00 0.00 H new ATOM 0 HB3 ALA A 121 9.406 3.839 -13.968 1.00 0.00 H new ATOM 1850 N ASN A 122 11.030 4.988 -10.661 1.00 0.00 N ATOM 1851 CA ASN A 122 10.720 6.053 -9.697 1.00 0.00 C ATOM 1852 C ASN A 122 10.565 7.440 -10.353 1.00 0.00 C ATOM 1853 O ASN A 122 11.001 8.453 -9.800 1.00 0.00 O ATOM 1854 CB ASN A 122 11.714 6.053 -8.520 1.00 0.00 C ATOM 1855 CG ASN A 122 10.986 6.465 -7.242 1.00 0.00 C ATOM 1856 OD1 ASN A 122 10.778 5.645 -6.354 1.00 0.00 O ATOM 1857 ND2 ASN A 122 10.519 7.697 -7.156 1.00 0.00 N ATOM 0 H ASN A 122 12.020 4.749 -10.720 1.00 0.00 H new ATOM 0 HA ASN A 122 9.737 5.826 -9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 122 12.152 5.062 -8.399 1.00 0.00 H new ATOM 0 HB3 ASN A 122 12.535 6.741 -8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 122 9.975 7.981 -6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 122 10.702 8.365 -7.905 1.00 0.00 H new ATOM 1864 N ASP A 123 10.003 7.497 -11.561 1.00 0.00 N ATOM 1865 CA ASP A 123 9.671 8.751 -12.245 1.00 0.00 C ATOM 1866 C ASP A 123 8.432 9.392 -11.589 1.00 0.00 C ATOM 1867 O ASP A 123 7.869 8.837 -10.641 1.00 0.00 O ATOM 1868 CB ASP A 123 9.457 8.479 -13.744 1.00 0.00 C ATOM 1869 CG ASP A 123 9.790 9.713 -14.601 1.00 0.00 C ATOM 1870 OD1 ASP A 123 8.945 10.626 -14.726 1.00 0.00 O ATOM 1871 OD2 ASP A 123 10.911 9.780 -15.155 1.00 0.00 O ATOM 0 H ASP A 123 9.762 6.665 -12.100 1.00 0.00 H new ATOM 0 HA ASP A 123 10.494 9.459 -12.150 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.082 7.641 -14.054 1.00 0.00 H new ATOM 0 HB3 ASP A 123 8.421 8.185 -13.916 1.00 0.00 H new ATOM 1876 N GLY A 124 7.961 10.528 -12.104 1.00 0.00 N ATOM 1877 CA GLY A 124 6.745 11.195 -11.648 1.00 0.00 C ATOM 1878 C GLY A 124 6.879 11.837 -10.266 1.00 0.00 C ATOM 1879 O GLY A 124 7.982 12.011 -9.738 1.00 0.00 O ATOM 0 H GLY A 124 8.426 11.020 -12.867 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.469 11.963 -12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.930 10.471 -11.626 1.00 0.00 H new ATOM 1883 N TYR A 125 5.733 12.227 -9.700 1.00 0.00 N ATOM 1884 CA TYR A 125 5.611 12.959 -8.440 1.00 0.00 C ATOM 1885 C TYR A 125 4.272 12.612 -7.785 1.00 0.00 C ATOM 1886 O TYR A 125 3.335 12.166 -8.465 1.00 0.00 O ATOM 1887 CB TYR A 125 5.715 14.467 -8.722 1.00 0.00 C ATOM 1888 CG TYR A 125 5.839 15.359 -7.499 1.00 0.00 C ATOM 1889 CD1 TYR A 125 4.693 15.770 -6.790 1.00 0.00 C ATOM 1890 CD2 TYR A 125 7.108 15.829 -7.107 1.00 0.00 C ATOM 1891 CE1 TYR A 125 4.815 16.640 -5.691 1.00 0.00 C ATOM 1892 CE2 TYR A 125 7.236 16.713 -6.021 1.00 0.00 C ATOM 1893 CZ TYR A 125 6.087 17.122 -5.305 1.00 0.00 C ATOM 1894 OH TYR A 125 6.191 17.987 -4.258 1.00 0.00 O ATOM 0 H TYR A 125 4.828 12.032 -10.127 1.00 0.00 H new ATOM 0 HA TYR A 125 6.413 12.678 -7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 125 6.579 14.639 -9.364 1.00 0.00 H new ATOM 0 HB3 TYR A 125 4.834 14.774 -9.285 1.00 0.00 H new ATOM 0 HD1 TYR A 125 3.718 15.416 -7.091 1.00 0.00 H new ATOM 0 HD2 TYR A 125 7.988 15.508 -7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 125 3.935 16.940 -5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 125 8.211 17.079 -5.734 1.00 0.00 H new ATOM 0 HH TYR A 125 7.132 18.222 -4.120 1.00 0.00 H new TER 1904 TYR A 125 HETATM 1905 P PO4 A 126 1.970 14.873 0.218 1.00 0.00 P HETATM 1906 O1 PO4 A 126 1.854 16.044 1.105 1.00 0.00 O HETATM 1907 O2 PO4 A 126 3.328 14.291 0.311 1.00 0.00 O HETATM 1908 O3 PO4 A 126 0.941 13.886 0.596 1.00 0.00 O HETATM 1909 O4 PO4 A 126 1.722 15.331 -1.159 1.00 0.00 O