USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 508 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 NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 117 ZNZN :(H bumps) USER MOD Set 1.1: A 79 TYR OH : rot -160:sc= 0.0281 USER MOD Set 1.2: A 81 GLN : amide:sc= 0.0286 X(o=0.057,f=0.19) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.95! C(o=-2.7!,f=-1.9!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 82:sc= 1.06 USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= -0.0572 (180deg=-0.414) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 62:sc= 1.22 USER MOD Single : A 80 SER OG : rot 150:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 19:sc= 0.995 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 22.592 -14.719 3.451 1.00 0.00 N ATOM 2 CA ASP A 28 21.289 -14.585 2.818 1.00 0.00 C ATOM 3 C ASP A 28 21.520 -14.605 1.318 1.00 0.00 C ATOM 4 O ASP A 28 22.449 -13.944 0.842 1.00 0.00 O ATOM 5 CB ASP A 28 20.635 -13.269 3.254 1.00 0.00 C ATOM 6 CG ASP A 28 19.198 -13.143 2.810 1.00 0.00 C ATOM 7 OD1 ASP A 28 18.941 -12.643 1.707 1.00 0.00 O ATOM 8 OD2 ASP A 28 18.300 -13.537 3.580 1.00 0.00 O ATOM 0 HA ASP A 28 20.620 -15.396 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 28 20.681 -13.190 4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 28 21.208 -12.435 2.849 1.00 0.00 H new ATOM 13 N PRO A 29 20.726 -15.380 0.544 1.00 0.00 N ATOM 14 CA PRO A 29 20.946 -15.527 -0.895 1.00 0.00 C ATOM 15 C PRO A 29 20.793 -14.218 -1.647 1.00 0.00 C ATOM 16 O PRO A 29 19.737 -13.569 -1.582 1.00 0.00 O ATOM 17 CB PRO A 29 19.885 -16.508 -1.363 1.00 0.00 C ATOM 18 CG PRO A 29 19.276 -17.091 -0.128 1.00 0.00 C ATOM 19 CD PRO A 29 19.563 -16.148 1.004 1.00 0.00 C ATOM 0 HA PRO A 29 21.964 -15.867 -1.088 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.131 -16.005 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 29 20.324 -17.288 -1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.201 -17.222 -0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.695 -18.076 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.712 -15.499 1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 29 19.780 -16.687 1.926 1.00 0.00 H new ATOM 27 N ASN A 30 21.865 -13.844 -2.347 1.00 0.00 N ATOM 28 CA ASN A 30 21.991 -12.626 -3.167 1.00 0.00 C ATOM 29 C ASN A 30 21.976 -11.325 -2.341 1.00 0.00 C ATOM 30 O ASN A 30 22.796 -10.423 -2.558 1.00 0.00 O ATOM 31 CB ASN A 30 20.895 -12.614 -4.218 1.00 0.00 C ATOM 32 CG ASN A 30 20.817 -11.337 -5.060 1.00 0.00 C ATOM 33 OD1 ASN A 30 21.831 -10.691 -5.364 1.00 0.00 O ATOM 34 ND2 ASN A 30 19.616 -10.951 -5.420 1.00 0.00 N ATOM 0 H ASN A 30 22.715 -14.407 -2.362 1.00 0.00 H new ATOM 0 HA ASN A 30 22.969 -12.657 -3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 30 21.044 -13.463 -4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 30 19.936 -12.763 -3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.497 -10.098 -5.966 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.801 -11.504 -5.154 1.00 0.00 H new ATOM 41 N ALA A 31 21.108 -11.259 -1.390 1.00 0.00 N ATOM 42 CA ALA A 31 20.860 -10.072 -0.651 1.00 0.00 C ATOM 43 C ALA A 31 21.700 -9.983 0.593 1.00 0.00 C ATOM 44 O ALA A 31 21.261 -10.316 1.698 1.00 0.00 O ATOM 45 CB ALA A 31 19.393 -9.929 -0.332 1.00 0.00 C ATOM 0 H ALA A 31 20.536 -12.052 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 31 21.154 -9.236 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 31 19.232 -9.012 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.821 -9.888 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 31 19.064 -10.783 0.260 1.00 0.00 H new ATOM 51 N GLU A 32 22.917 -9.621 0.388 1.00 0.00 N ATOM 52 CA GLU A 32 23.811 -9.344 1.463 1.00 0.00 C ATOM 53 C GLU A 32 23.473 -7.947 2.002 1.00 0.00 C ATOM 54 O GLU A 32 22.833 -7.816 3.053 1.00 0.00 O ATOM 55 CB GLU A 32 25.277 -9.417 0.988 1.00 0.00 C ATOM 56 CG GLU A 32 26.321 -9.213 2.091 1.00 0.00 C ATOM 57 CD GLU A 32 26.281 -10.298 3.136 1.00 0.00 C ATOM 58 OE1 GLU A 32 26.988 -11.314 2.974 1.00 0.00 O ATOM 59 OE2 GLU A 32 25.544 -10.162 4.133 1.00 0.00 O ATOM 0 H GLU A 32 23.327 -9.507 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 32 23.697 -10.087 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 32 25.446 -10.388 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.432 -8.663 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 32 27.315 -9.181 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.155 -8.247 2.569 1.00 0.00 H new ATOM 66 N PHE A 33 23.857 -6.922 1.226 1.00 0.00 N ATOM 67 CA PHE A 33 23.601 -5.496 1.526 1.00 0.00 C ATOM 68 C PHE A 33 24.046 -5.095 2.941 1.00 0.00 C ATOM 69 O PHE A 33 24.811 -5.820 3.610 1.00 0.00 O ATOM 70 CB PHE A 33 22.113 -5.164 1.331 1.00 0.00 C ATOM 71 CG PHE A 33 21.597 -5.468 -0.040 1.00 0.00 C ATOM 72 CD1 PHE A 33 22.024 -4.744 -1.132 1.00 0.00 C ATOM 73 CD2 PHE A 33 20.681 -6.478 -0.231 1.00 0.00 C ATOM 74 CE1 PHE A 33 21.550 -5.025 -2.394 1.00 0.00 C ATOM 75 CE2 PHE A 33 20.201 -6.764 -1.490 1.00 0.00 C ATOM 76 CZ PHE A 33 20.635 -6.042 -2.568 1.00 0.00 C ATOM 0 H PHE A 33 24.365 -7.059 0.352 1.00 0.00 H new ATOM 0 HA PHE A 33 24.201 -4.918 0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 33 21.528 -5.723 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 33 21.957 -4.106 1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 33 22.739 -3.946 -0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 33 20.335 -7.052 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 33 21.893 -4.452 -3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 33 19.482 -7.558 -1.626 1.00 0.00 H new ATOM 0 HZ PHE A 33 20.261 -6.269 -3.555 1.00 0.00 H new ATOM 86 N ASP A 34 23.610 -3.922 3.371 1.00 0.00 N ATOM 87 CA ASP A 34 23.883 -3.442 4.714 1.00 0.00 C ATOM 88 C ASP A 34 23.133 -4.316 5.713 1.00 0.00 C ATOM 89 O ASP A 34 21.923 -4.529 5.568 1.00 0.00 O ATOM 90 CB ASP A 34 23.429 -1.995 4.861 1.00 0.00 C ATOM 91 CG ASP A 34 23.794 -1.404 6.200 1.00 0.00 C ATOM 92 OD1 ASP A 34 23.069 -1.623 7.197 1.00 0.00 O ATOM 93 OD2 ASP A 34 24.810 -0.693 6.274 1.00 0.00 O ATOM 0 H ASP A 34 23.060 -3.279 2.801 1.00 0.00 H new ATOM 0 HA ASP A 34 24.955 -3.492 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 34 23.878 -1.395 4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 34 22.349 -1.942 4.727 1.00 0.00 H new ATOM 98 N PRO A 35 23.827 -4.837 6.732 1.00 0.00 N ATOM 99 CA PRO A 35 23.238 -5.761 7.696 1.00 0.00 C ATOM 100 C PRO A 35 22.252 -5.125 8.672 1.00 0.00 C ATOM 101 O PRO A 35 21.563 -5.837 9.406 1.00 0.00 O ATOM 102 CB PRO A 35 24.441 -6.336 8.434 1.00 0.00 C ATOM 103 CG PRO A 35 25.472 -5.267 8.347 1.00 0.00 C ATOM 104 CD PRO A 35 25.258 -4.592 7.018 1.00 0.00 C ATOM 0 HA PRO A 35 22.631 -6.507 7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 35 24.197 -6.570 9.470 1.00 0.00 H new ATOM 0 HB3 PRO A 35 24.787 -7.260 7.971 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.368 -4.556 9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.476 -5.686 8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 35 25.480 -3.526 7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.900 -5.015 6.245 1.00 0.00 H new ATOM 112 N ASP A 36 22.166 -3.824 8.699 1.00 0.00 N ATOM 113 CA ASP A 36 21.226 -3.193 9.604 1.00 0.00 C ATOM 114 C ASP A 36 20.030 -2.694 8.847 1.00 0.00 C ATOM 115 O ASP A 36 18.934 -2.542 9.399 1.00 0.00 O ATOM 116 CB ASP A 36 21.871 -2.067 10.387 1.00 0.00 C ATOM 117 CG ASP A 36 20.924 -1.462 11.408 1.00 0.00 C ATOM 118 OD1 ASP A 36 20.573 -2.148 12.387 1.00 0.00 O ATOM 119 OD2 ASP A 36 20.528 -0.291 11.251 1.00 0.00 O ATOM 0 H ASP A 36 22.717 -3.187 8.123 1.00 0.00 H new ATOM 0 HA ASP A 36 20.900 -3.945 10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.759 -2.443 10.896 1.00 0.00 H new ATOM 0 HB3 ASP A 36 22.203 -1.291 9.697 1.00 0.00 H new ATOM 124 N LEU A 37 20.224 -2.455 7.585 1.00 0.00 N ATOM 125 CA LEU A 37 19.152 -1.981 6.763 1.00 0.00 C ATOM 126 C LEU A 37 18.254 -3.114 6.327 1.00 0.00 C ATOM 127 O LEU A 37 18.727 -4.097 5.737 1.00 0.00 O ATOM 128 CB LEU A 37 19.642 -1.218 5.553 1.00 0.00 C ATOM 129 CG LEU A 37 20.387 0.084 5.812 1.00 0.00 C ATOM 130 CD1 LEU A 37 20.678 0.759 4.502 1.00 0.00 C ATOM 131 CD2 LEU A 37 19.585 1.009 6.717 1.00 0.00 C ATOM 0 H LEU A 37 21.114 -2.580 7.102 1.00 0.00 H new ATOM 0 HA LEU A 37 18.579 -1.289 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.297 -1.875 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.782 -0.996 4.921 1.00 0.00 H new ATOM 0 HG LEU A 37 21.323 -0.145 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.212 1.692 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.292 0.104 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 37 19.742 0.971 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.144 1.930 6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.631 1.243 6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.405 0.517 7.673 1.00 0.00 H new ATOM 143 N PRO A 38 16.947 -3.002 6.594 1.00 0.00 N ATOM 144 CA PRO A 38 15.983 -4.030 6.233 1.00 0.00 C ATOM 145 C PRO A 38 15.860 -4.141 4.724 1.00 0.00 C ATOM 146 O PRO A 38 15.516 -3.160 4.033 1.00 0.00 O ATOM 147 CB PRO A 38 14.665 -3.538 6.857 1.00 0.00 C ATOM 148 CG PRO A 38 15.083 -2.516 7.852 1.00 0.00 C ATOM 149 CD PRO A 38 16.292 -1.870 7.260 1.00 0.00 C ATOM 0 HA PRO A 38 16.269 -5.021 6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.004 -3.111 6.103 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.121 -4.355 7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.291 -1.787 8.025 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.312 -2.973 8.815 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.029 -1.079 6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.929 -1.421 8.022 1.00 0.00 H new ATOM 157 N GLY A 39 16.196 -5.310 4.212 1.00 0.00 N ATOM 158 CA GLY A 39 16.154 -5.551 2.800 1.00 0.00 C ATOM 159 C GLY A 39 17.156 -4.694 2.065 1.00 0.00 C ATOM 160 O GLY A 39 16.953 -4.341 0.898 1.00 0.00 O ATOM 0 H GLY A 39 16.503 -6.109 4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.359 -6.603 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.152 -5.345 2.424 1.00 0.00 H new ATOM 164 N GLY A 40 18.221 -4.319 2.772 1.00 0.00 N ATOM 165 CA GLY A 40 19.256 -3.491 2.203 1.00 0.00 C ATOM 166 C GLY A 40 18.806 -2.064 1.991 1.00 0.00 C ATOM 167 O GLY A 40 19.479 -1.290 1.321 1.00 0.00 O ATOM 0 H GLY A 40 18.380 -4.583 3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.126 -3.500 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.572 -3.914 1.249 1.00 0.00 H new ATOM 171 N GLY A 41 17.654 -1.719 2.555 1.00 0.00 N ATOM 172 CA GLY A 41 17.117 -0.387 2.397 1.00 0.00 C ATOM 173 C GLY A 41 16.471 -0.194 1.035 1.00 0.00 C ATOM 174 O GLY A 41 16.134 0.924 0.644 1.00 0.00 O ATOM 0 H GLY A 41 17.082 -2.345 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.381 -0.197 3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.915 0.344 2.527 1.00 0.00 H new ATOM 178 N LEU A 42 16.304 -1.287 0.309 1.00 0.00 N ATOM 179 CA LEU A 42 15.735 -1.247 -1.009 1.00 0.00 C ATOM 180 C LEU A 42 14.239 -1.406 -0.961 1.00 0.00 C ATOM 181 O LEU A 42 13.508 -0.805 -1.748 1.00 0.00 O ATOM 182 CB LEU A 42 16.328 -2.360 -1.858 1.00 0.00 C ATOM 183 CG LEU A 42 17.842 -2.340 -2.055 1.00 0.00 C ATOM 184 CD1 LEU A 42 18.271 -3.489 -2.940 1.00 0.00 C ATOM 185 CD2 LEU A 42 18.288 -1.024 -2.644 1.00 0.00 C ATOM 0 H LEU A 42 16.562 -2.222 0.625 1.00 0.00 H new ATOM 0 HA LEU A 42 15.968 -0.277 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.056 -3.314 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 42 15.857 -2.327 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 42 18.317 -2.454 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.353 -3.462 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 42 17.985 -4.433 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.785 -3.401 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.370 -1.032 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.806 -0.876 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 42 18.011 -0.212 -1.972 1.00 0.00 H new ATOM 197 N HIS A 43 13.784 -2.181 -0.025 1.00 0.00 N ATOM 198 CA HIS A 43 12.389 -2.514 0.059 1.00 0.00 C ATOM 199 C HIS A 43 11.741 -1.607 1.042 1.00 0.00 C ATOM 200 O HIS A 43 11.769 -1.849 2.240 1.00 0.00 O ATOM 201 CB HIS A 43 12.167 -3.975 0.471 1.00 0.00 C ATOM 202 CG HIS A 43 12.890 -4.974 -0.380 1.00 0.00 C ATOM 203 ND1 HIS A 43 14.114 -5.520 -0.245 1.00 0.00 N flip ATOM 204 CD2 HIS A 43 12.354 -5.537 -1.502 1.00 0.00 C flip ATOM 205 CE1 HIS A 43 14.286 -6.394 -1.272 1.00 0.00 C flip ATOM 206 NE2 HIS A 43 13.212 -6.393 -2.019 1.00 0.00 N flip ATOM 0 H HIS A 43 14.364 -2.601 0.701 1.00 0.00 H new ATOM 0 HA HIS A 43 11.946 -2.389 -0.929 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.484 -4.100 1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.099 -4.191 0.437 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.377 -5.315 -1.904 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.168 -6.993 -1.444 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.064 -6.957 -2.856 1.00 0.00 H new ATOM 215 N ARG A 44 11.241 -0.534 0.548 1.00 0.00 N ATOM 216 CA ARG A 44 10.595 0.442 1.360 1.00 0.00 C ATOM 217 C ARG A 44 9.433 1.083 0.673 1.00 0.00 C ATOM 218 O ARG A 44 9.428 1.269 -0.541 1.00 0.00 O ATOM 219 CB ARG A 44 11.577 1.502 1.816 1.00 0.00 C ATOM 220 CG ARG A 44 12.432 2.068 0.707 1.00 0.00 C ATOM 221 CD ARG A 44 13.387 3.114 1.224 1.00 0.00 C ATOM 222 NE ARG A 44 14.340 3.528 0.198 1.00 0.00 N ATOM 223 CZ ARG A 44 15.274 4.466 0.360 1.00 0.00 C ATOM 224 NH1 ARG A 44 15.286 5.223 1.453 1.00 0.00 N ATOM 225 NH2 ARG A 44 16.181 4.667 -0.586 1.00 0.00 N ATOM 0 H ARG A 44 11.267 -0.302 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 44 10.208 -0.088 2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.025 2.316 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.227 1.075 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.994 1.263 0.233 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.792 2.505 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.825 3.981 1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.927 2.720 2.085 1.00 0.00 H new ATOM 0 HE ARG A 44 14.287 3.066 -0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.578 5.088 2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.004 5.938 1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 44 16.164 4.104 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.896 5.384 -0.463 1.00 0.00 H new ATOM 239 N CYS A 45 8.456 1.384 1.453 1.00 0.00 N ATOM 240 CA CYS A 45 7.299 2.111 0.998 1.00 0.00 C ATOM 241 C CYS A 45 7.546 3.559 1.337 1.00 0.00 C ATOM 242 O CYS A 45 7.652 3.901 2.518 1.00 0.00 O ATOM 243 CB CYS A 45 6.023 1.565 1.701 1.00 0.00 C ATOM 244 SG CYS A 45 4.452 2.485 1.422 1.00 0.00 S ATOM 0 H CYS A 45 8.427 1.134 2.441 1.00 0.00 H new ATOM 0 HA CYS A 45 7.140 1.998 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.874 0.535 1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.213 1.538 2.774 1.00 0.00 H new ATOM 249 N LEU A 46 7.639 4.399 0.329 1.00 0.00 N ATOM 250 CA LEU A 46 7.973 5.808 0.518 1.00 0.00 C ATOM 251 C LEU A 46 6.931 6.525 1.345 1.00 0.00 C ATOM 252 O LEU A 46 7.263 7.312 2.226 1.00 0.00 O ATOM 253 CB LEU A 46 8.175 6.511 -0.825 1.00 0.00 C ATOM 254 CG LEU A 46 9.303 5.980 -1.693 1.00 0.00 C ATOM 255 CD1 LEU A 46 9.388 6.755 -2.995 1.00 0.00 C ATOM 256 CD2 LEU A 46 10.634 6.017 -0.951 1.00 0.00 C ATOM 0 H LEU A 46 7.487 4.133 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 46 8.913 5.845 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.246 6.444 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.357 7.569 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 46 9.083 4.939 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.202 6.359 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.449 6.656 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.574 7.807 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.422 5.631 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.866 7.044 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.567 5.402 -0.053 1.00 0.00 H new ATOM 268 N ALA A 47 5.677 6.207 1.098 1.00 0.00 N ATOM 269 CA ALA A 47 4.564 6.809 1.815 1.00 0.00 C ATOM 270 C ALA A 47 4.595 6.463 3.307 1.00 0.00 C ATOM 271 O ALA A 47 3.945 7.127 4.121 1.00 0.00 O ATOM 272 CB ALA A 47 3.249 6.381 1.199 1.00 0.00 C ATOM 0 H ALA A 47 5.397 5.524 0.394 1.00 0.00 H new ATOM 0 HA ALA A 47 4.662 7.891 1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.425 6.839 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.215 6.699 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.159 5.296 1.250 1.00 0.00 H new ATOM 278 N CYS A 48 5.334 5.420 3.670 1.00 0.00 N ATOM 279 CA CYS A 48 5.446 5.065 5.071 1.00 0.00 C ATOM 280 C CYS A 48 6.832 5.308 5.636 1.00 0.00 C ATOM 281 O CYS A 48 7.013 5.281 6.854 1.00 0.00 O ATOM 282 CB CYS A 48 4.961 3.639 5.330 1.00 0.00 C ATOM 283 SG CYS A 48 3.272 3.463 4.927 1.00 0.00 S ATOM 0 H CYS A 48 5.852 4.821 3.027 1.00 0.00 H new ATOM 0 HA CYS A 48 4.783 5.739 5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.553 2.938 4.741 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.116 3.384 6.378 1.00 0.00 H new ATOM 288 N ALA A 49 7.811 5.539 4.743 1.00 0.00 N ATOM 289 CA ALA A 49 9.221 5.775 5.115 1.00 0.00 C ATOM 290 C ALA A 49 9.788 4.585 5.891 1.00 0.00 C ATOM 291 O ALA A 49 10.817 4.685 6.557 1.00 0.00 O ATOM 292 CB ALA A 49 9.361 7.073 5.914 1.00 0.00 C ATOM 0 H ALA A 49 7.647 5.568 3.737 1.00 0.00 H new ATOM 0 HA ALA A 49 9.801 5.881 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.407 7.227 6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.012 7.911 5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.764 7.007 6.823 1.00 0.00 H new ATOM 298 N ARG A 50 9.137 3.457 5.752 1.00 0.00 N ATOM 299 CA ARG A 50 9.505 2.268 6.459 1.00 0.00 C ATOM 300 C ARG A 50 10.174 1.307 5.566 1.00 0.00 C ATOM 301 O ARG A 50 9.843 1.204 4.375 1.00 0.00 O ATOM 302 CB ARG A 50 8.311 1.611 7.119 1.00 0.00 C ATOM 303 CG ARG A 50 7.711 2.411 8.241 1.00 0.00 C ATOM 304 CD ARG A 50 6.505 1.715 8.802 1.00 0.00 C ATOM 305 NE ARG A 50 6.807 0.384 9.347 1.00 0.00 N ATOM 306 CZ ARG A 50 5.934 -0.368 10.033 1.00 0.00 C ATOM 307 NH1 ARG A 50 4.702 0.083 10.260 1.00 0.00 N ATOM 308 NH2 ARG A 50 6.301 -1.568 10.484 1.00 0.00 N ATOM 0 H ARG A 50 8.330 3.343 5.138 1.00 0.00 H new ATOM 0 HA ARG A 50 10.201 2.569 7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.545 1.433 6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.613 0.637 7.503 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.452 2.557 9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.431 3.401 7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.070 2.332 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.752 1.618 8.019 1.00 0.00 H new ATOM 0 HE ARG A 50 7.742 0.007 9.193 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.423 1.000 9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.038 -0.489 10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.245 -1.913 10.307 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.638 -2.141 11.006 1.00 0.00 H new ATOM 322 N TYR A 51 11.077 0.597 6.137 1.00 0.00 N ATOM 323 CA TYR A 51 11.880 -0.334 5.471 1.00 0.00 C ATOM 324 C TYR A 51 11.408 -1.725 5.825 1.00 0.00 C ATOM 325 O TYR A 51 10.983 -1.967 6.958 1.00 0.00 O ATOM 326 CB TYR A 51 13.306 -0.146 5.940 1.00 0.00 C ATOM 327 CG TYR A 51 13.929 1.208 5.639 1.00 0.00 C ATOM 328 CD1 TYR A 51 13.811 2.268 6.534 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.647 1.414 4.477 1.00 0.00 C ATOM 330 CE1 TYR A 51 14.393 3.496 6.270 1.00 0.00 C ATOM 331 CE2 TYR A 51 15.233 2.638 4.203 1.00 0.00 C ATOM 332 CZ TYR A 51 15.103 3.675 5.102 1.00 0.00 C ATOM 333 OH TYR A 51 15.698 4.896 4.834 1.00 0.00 O ATOM 0 H TYR A 51 11.278 0.661 7.135 1.00 0.00 H new ATOM 0 HA TYR A 51 11.821 -0.196 4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.338 -0.308 7.017 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.924 -0.919 5.483 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.256 2.130 7.450 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.753 0.605 3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.291 4.308 6.974 1.00 0.00 H new ATOM 0 HE2 TYR A 51 15.790 2.780 3.289 1.00 0.00 H new ATOM 0 HH TYR A 51 16.160 4.852 3.971 1.00 0.00 H new ATOM 343 N PHE A 52 11.458 -2.617 4.879 1.00 0.00 N ATOM 344 CA PHE A 52 11.006 -3.972 5.082 1.00 0.00 C ATOM 345 C PHE A 52 12.113 -4.917 4.693 1.00 0.00 C ATOM 346 O PHE A 52 12.846 -4.655 3.737 1.00 0.00 O ATOM 347 CB PHE A 52 9.760 -4.247 4.238 1.00 0.00 C ATOM 348 CG PHE A 52 8.625 -3.290 4.516 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.577 -2.057 3.890 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.624 -3.617 5.406 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.557 -1.170 4.146 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.597 -2.732 5.668 1.00 0.00 C ATOM 353 CZ PHE A 52 6.568 -1.505 5.032 1.00 0.00 C ATOM 0 H PHE A 52 11.813 -2.430 3.941 1.00 0.00 H new ATOM 0 HA PHE A 52 10.748 -4.118 6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.025 -4.188 3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.421 -5.266 4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.353 -1.787 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.643 -4.575 5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.536 -0.211 3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.819 -2.998 6.368 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.766 -0.811 5.234 1.00 0.00 H new ATOM 363 N ILE A 53 12.229 -6.015 5.407 1.00 0.00 N ATOM 364 CA ILE A 53 13.302 -6.950 5.210 1.00 0.00 C ATOM 365 C ILE A 53 13.198 -7.729 3.905 1.00 0.00 C ATOM 366 O ILE A 53 14.195 -8.235 3.381 1.00 0.00 O ATOM 367 CB ILE A 53 13.497 -7.879 6.454 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.233 -8.680 6.867 1.00 0.00 C ATOM 369 CG2 ILE A 53 14.011 -7.092 7.632 1.00 0.00 C ATOM 370 CD1 ILE A 53 11.869 -9.835 5.963 1.00 0.00 C ATOM 0 H ILE A 53 11.575 -6.281 6.143 1.00 0.00 H new ATOM 0 HA ILE A 53 14.209 -6.353 5.111 1.00 0.00 H new ATOM 0 HB ILE A 53 14.234 -8.619 6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.382 -9.064 7.876 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.387 -7.994 6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 53 14.139 -7.757 8.486 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.969 -6.640 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.296 -6.309 7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.972 -10.325 6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.681 -9.463 4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.691 -10.551 5.938 1.00 0.00 H new ATOM 382 N ASP A 54 12.006 -7.803 3.368 1.00 0.00 N ATOM 383 CA ASP A 54 11.777 -8.536 2.143 1.00 0.00 C ATOM 384 C ASP A 54 10.665 -7.887 1.353 1.00 0.00 C ATOM 385 O ASP A 54 9.802 -7.217 1.933 1.00 0.00 O ATOM 386 CB ASP A 54 11.450 -10.004 2.457 1.00 0.00 C ATOM 387 CG ASP A 54 11.171 -10.833 1.232 1.00 0.00 C ATOM 388 OD1 ASP A 54 12.112 -11.287 0.574 1.00 0.00 O ATOM 389 OD2 ASP A 54 10.004 -11.038 0.921 1.00 0.00 O ATOM 0 H ASP A 54 11.174 -7.363 3.760 1.00 0.00 H new ATOM 0 HA ASP A 54 12.683 -8.514 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.285 -10.445 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.583 -10.042 3.117 1.00 0.00 H new ATOM 394 N SER A 55 10.681 -8.070 0.047 1.00 0.00 N ATOM 395 CA SER A 55 9.695 -7.484 -0.839 1.00 0.00 C ATOM 396 C SER A 55 8.299 -8.019 -0.535 1.00 0.00 C ATOM 397 O SER A 55 7.323 -7.310 -0.711 1.00 0.00 O ATOM 398 CB SER A 55 10.073 -7.757 -2.304 1.00 0.00 C ATOM 399 OG SER A 55 9.162 -7.157 -3.198 1.00 0.00 O ATOM 0 H SER A 55 11.384 -8.633 -0.432 1.00 0.00 H new ATOM 0 HA SER A 55 9.682 -6.407 -0.675 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.076 -7.378 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.100 -8.833 -2.479 1.00 0.00 H new ATOM 0 HG SER A 55 9.433 -7.349 -4.120 1.00 0.00 H new ATOM 405 N THR A 56 8.208 -9.250 -0.048 1.00 0.00 N ATOM 406 CA THR A 56 6.931 -9.826 0.283 1.00 0.00 C ATOM 407 C THR A 56 6.310 -9.055 1.444 1.00 0.00 C ATOM 408 O THR A 56 5.125 -8.786 1.449 1.00 0.00 O ATOM 409 CB THR A 56 7.074 -11.295 0.658 1.00 0.00 C ATOM 410 OG1 THR A 56 7.835 -11.966 -0.361 1.00 0.00 O ATOM 411 CG2 THR A 56 5.713 -11.961 0.786 1.00 0.00 C ATOM 0 H THR A 56 9.007 -9.860 0.123 1.00 0.00 H new ATOM 0 HA THR A 56 6.285 -9.759 -0.592 1.00 0.00 H new ATOM 0 HB THR A 56 7.582 -11.361 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.791 -11.815 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.845 -13.009 1.054 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.133 -11.458 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.184 -11.894 -0.165 1.00 0.00 H new ATOM 419 N ASN A 57 7.145 -8.648 2.396 1.00 0.00 N ATOM 420 CA ASN A 57 6.708 -7.866 3.526 1.00 0.00 C ATOM 421 C ASN A 57 6.246 -6.509 3.089 1.00 0.00 C ATOM 422 O ASN A 57 5.221 -6.004 3.554 1.00 0.00 O ATOM 423 CB ASN A 57 7.820 -7.752 4.564 1.00 0.00 C ATOM 424 CG ASN A 57 7.892 -8.922 5.519 1.00 0.00 C ATOM 425 OD1 ASN A 57 8.631 -9.939 5.166 1.00 0.00 O flip ATOM 426 ND2 ASN A 57 7.267 -8.907 6.579 1.00 0.00 N flip ATOM 0 H ASN A 57 8.143 -8.857 2.397 1.00 0.00 H new ATOM 0 HA ASN A 57 5.863 -8.377 3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.776 -7.658 4.049 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.675 -6.836 5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.699 -8.096 6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.317 -9.705 7.212 1.00 0.00 H new ATOM 433 N LEU A 58 6.986 -5.942 2.185 1.00 0.00 N ATOM 434 CA LEU A 58 6.683 -4.658 1.630 1.00 0.00 C ATOM 435 C LEU A 58 5.389 -4.701 0.809 1.00 0.00 C ATOM 436 O LEU A 58 4.508 -3.869 0.983 1.00 0.00 O ATOM 437 CB LEU A 58 7.916 -4.149 0.842 1.00 0.00 C ATOM 438 CG LEU A 58 7.789 -2.875 0.010 1.00 0.00 C ATOM 439 CD1 LEU A 58 7.169 -3.138 -1.331 1.00 0.00 C ATOM 440 CD2 LEU A 58 7.044 -1.803 0.773 1.00 0.00 C ATOM 0 H LEU A 58 7.832 -6.366 1.806 1.00 0.00 H new ATOM 0 HA LEU A 58 6.485 -3.937 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.723 -3.995 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.232 -4.949 0.172 1.00 0.00 H new ATOM 0 HG LEU A 58 8.797 -2.507 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.098 -2.204 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.786 -3.845 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.171 -3.556 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.967 -0.906 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.044 -2.160 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.583 -1.569 1.691 1.00 0.00 H new ATOM 452 N LYS A 59 5.287 -5.648 -0.060 1.00 0.00 N ATOM 453 CA LYS A 59 4.071 -5.797 -0.864 1.00 0.00 C ATOM 454 C LYS A 59 2.847 -6.237 -0.051 1.00 0.00 C ATOM 455 O LYS A 59 1.740 -5.784 -0.319 1.00 0.00 O ATOM 456 CB LYS A 59 4.278 -6.649 -2.104 1.00 0.00 C ATOM 457 CG LYS A 59 5.254 -6.036 -3.094 1.00 0.00 C ATOM 458 CD LYS A 59 5.311 -6.840 -4.364 1.00 0.00 C ATOM 459 CE LYS A 59 6.280 -6.246 -5.365 1.00 0.00 C ATOM 460 NZ LYS A 59 6.293 -7.015 -6.627 1.00 0.00 N ATOM 0 H LYS A 59 6.013 -6.339 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 59 3.844 -4.791 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.643 -7.632 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.318 -6.801 -2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.953 -5.013 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.247 -5.985 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.609 -7.863 -4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.316 -6.890 -4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.004 -5.212 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.282 -6.230 -4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.967 -6.582 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.580 -7.996 -6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.341 -7.009 -7.047 1.00 0.00 H new ATOM 474 N THR A 60 3.042 -7.098 0.962 1.00 0.00 N ATOM 475 CA THR A 60 1.938 -7.474 1.858 1.00 0.00 C ATOM 476 C THR A 60 1.463 -6.232 2.598 1.00 0.00 C ATOM 477 O THR A 60 0.286 -6.075 2.908 1.00 0.00 O ATOM 478 CB THR A 60 2.352 -8.565 2.861 1.00 0.00 C ATOM 479 OG1 THR A 60 2.799 -9.726 2.145 1.00 0.00 O ATOM 480 CG2 THR A 60 1.203 -8.959 3.784 1.00 0.00 C ATOM 0 H THR A 60 3.936 -7.539 1.178 1.00 0.00 H new ATOM 0 HA THR A 60 1.130 -7.888 1.254 1.00 0.00 H new ATOM 0 HB THR A 60 3.155 -8.161 3.477 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.766 -9.666 1.995 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.540 -9.732 4.475 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.874 -8.086 4.348 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.373 -9.341 3.189 1.00 0.00 H new ATOM 488 N HIS A 61 2.400 -5.339 2.821 1.00 0.00 N ATOM 489 CA HIS A 61 2.141 -4.061 3.406 1.00 0.00 C ATOM 490 C HIS A 61 1.160 -3.219 2.538 1.00 0.00 C ATOM 491 O HIS A 61 0.427 -2.382 3.058 1.00 0.00 O ATOM 492 CB HIS A 61 3.486 -3.328 3.686 1.00 0.00 C ATOM 493 CG HIS A 61 3.340 -1.889 3.956 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.872 -1.387 5.134 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.485 -0.841 3.129 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.715 -0.102 5.003 1.00 0.00 C ATOM 497 NE2 HIS A 61 3.089 0.242 3.807 1.00 0.00 N ATOM 0 H HIS A 61 3.382 -5.493 2.593 1.00 0.00 H new ATOM 0 HA HIS A 61 1.637 -4.203 4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.974 -3.799 4.539 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.145 -3.461 2.828 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.678 -1.928 5.977 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.851 -0.867 2.113 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.337 0.567 5.762 1.00 0.00 H new ATOM 505 N PHE A 62 1.146 -3.431 1.225 1.00 0.00 N ATOM 506 CA PHE A 62 0.206 -2.686 0.395 1.00 0.00 C ATOM 507 C PHE A 62 -1.062 -3.497 0.210 1.00 0.00 C ATOM 508 O PHE A 62 -2.049 -3.006 -0.322 1.00 0.00 O ATOM 509 CB PHE A 62 0.744 -2.342 -0.991 1.00 0.00 C ATOM 510 CG PHE A 62 2.110 -1.784 -1.049 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.457 -0.658 -0.330 1.00 0.00 C ATOM 512 CD2 PHE A 62 3.053 -2.397 -1.826 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.739 -0.161 -0.394 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.319 -1.920 -1.896 1.00 0.00 C ATOM 515 CZ PHE A 62 4.683 -0.802 -1.187 1.00 0.00 C ATOM 0 H PHE A 62 1.750 -4.086 0.728 1.00 0.00 H new ATOM 0 HA PHE A 62 0.022 -1.750 0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.719 -3.245 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.064 -1.627 -1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.719 -0.165 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.784 -3.276 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.009 0.721 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.048 -2.423 -2.514 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.693 -0.424 -1.245 1.00 0.00 H new ATOM 525 N ARG A 63 -1.044 -4.750 0.649 1.00 0.00 N ATOM 526 CA ARG A 63 -2.222 -5.600 0.526 1.00 0.00 C ATOM 527 C ARG A 63 -3.334 -5.130 1.442 1.00 0.00 C ATOM 528 O ARG A 63 -4.475 -5.576 1.344 1.00 0.00 O ATOM 529 CB ARG A 63 -1.906 -7.083 0.696 1.00 0.00 C ATOM 530 CG ARG A 63 -1.040 -7.646 -0.426 1.00 0.00 C ATOM 531 CD ARG A 63 -0.816 -9.139 -0.272 1.00 0.00 C ATOM 532 NE ARG A 63 -2.080 -9.877 -0.274 1.00 0.00 N ATOM 533 CZ ARG A 63 -2.202 -11.205 -0.323 1.00 0.00 C ATOM 534 NH1 ARG A 63 -1.128 -11.980 -0.434 1.00 0.00 N ATOM 535 NH2 ARG A 63 -3.407 -11.751 -0.263 1.00 0.00 N ATOM 0 H ARG A 63 -0.238 -5.196 1.088 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.582 -5.499 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.397 -7.232 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.840 -7.644 0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.516 -7.447 -1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.078 -7.133 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.183 -9.498 -1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.282 -9.333 0.658 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.940 -9.330 -0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.199 -11.561 -0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.232 -12.994 -0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.232 -11.157 -0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.510 -12.765 -0.300 1.00 0.00 H new ATOM 549 N SER A 64 -2.986 -4.231 2.331 1.00 0.00 N ATOM 550 CA SER A 64 -3.940 -3.544 3.118 1.00 0.00 C ATOM 551 C SER A 64 -4.610 -2.504 2.206 1.00 0.00 C ATOM 552 O SER A 64 -3.997 -1.492 1.838 1.00 0.00 O ATOM 553 CB SER A 64 -3.232 -2.881 4.294 1.00 0.00 C ATOM 554 OG SER A 64 -2.487 -3.851 5.033 1.00 0.00 O ATOM 0 H SER A 64 -2.019 -3.964 2.518 1.00 0.00 H new ATOM 0 HA SER A 64 -4.695 -4.217 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.565 -2.098 3.932 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.963 -2.401 4.944 1.00 0.00 H new ATOM 0 HG SER A 64 -2.035 -3.413 5.785 1.00 0.00 H new ATOM 560 N LYS A 65 -5.841 -2.794 1.811 1.00 0.00 N ATOM 561 CA LYS A 65 -6.601 -1.988 0.864 1.00 0.00 C ATOM 562 C LYS A 65 -6.692 -0.530 1.297 1.00 0.00 C ATOM 563 O LYS A 65 -6.545 0.385 0.473 1.00 0.00 O ATOM 564 CB LYS A 65 -7.970 -2.580 0.708 1.00 0.00 C ATOM 565 CG LYS A 65 -8.818 -1.971 -0.388 1.00 0.00 C ATOM 566 CD LYS A 65 -10.138 -2.703 -0.514 1.00 0.00 C ATOM 567 CE LYS A 65 -10.970 -2.166 -1.657 1.00 0.00 C ATOM 568 NZ LYS A 65 -12.221 -2.928 -1.819 1.00 0.00 N ATOM 0 H LYS A 65 -6.350 -3.612 2.146 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.080 -1.999 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.866 -3.647 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.501 -2.479 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.000 -0.918 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.281 -2.013 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.951 -3.766 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.696 -2.609 0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.203 -1.116 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.393 -2.211 -2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.768 -2.534 -2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.998 -3.925 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.782 -2.864 -0.946 1.00 0.00 H new ATOM 582 N ASP A 66 -6.876 -0.332 2.600 1.00 0.00 N ATOM 583 CA ASP A 66 -6.973 0.999 3.220 1.00 0.00 C ATOM 584 C ASP A 66 -5.777 1.858 2.896 1.00 0.00 C ATOM 585 O ASP A 66 -5.886 3.068 2.760 1.00 0.00 O ATOM 586 CB ASP A 66 -7.066 0.855 4.726 1.00 0.00 C ATOM 587 CG ASP A 66 -7.060 2.192 5.449 1.00 0.00 C ATOM 588 OD1 ASP A 66 -8.078 2.922 5.417 1.00 0.00 O ATOM 589 OD2 ASP A 66 -6.039 2.522 6.084 1.00 0.00 O ATOM 0 H ASP A 66 -6.964 -1.097 3.269 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.866 1.480 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.978 0.315 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.230 0.252 5.081 1.00 0.00 H new ATOM 594 N HIS A 67 -4.650 1.230 2.767 1.00 0.00 N ATOM 595 CA HIS A 67 -3.410 1.938 2.495 1.00 0.00 C ATOM 596 C HIS A 67 -3.390 2.501 1.138 1.00 0.00 C ATOM 597 O HIS A 67 -3.033 3.640 0.947 1.00 0.00 O ATOM 598 CB HIS A 67 -2.211 1.042 2.606 1.00 0.00 C ATOM 599 CG HIS A 67 -0.925 1.732 2.457 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.793 3.085 2.728 1.00 0.00 N ATOM 601 CD2 HIS A 67 0.233 1.224 2.452 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.442 3.343 2.949 1.00 0.00 C ATOM 603 NE2 HIS A 67 1.103 2.245 2.803 1.00 0.00 N ATOM 0 H HIS A 67 -4.550 0.218 2.844 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.364 2.729 3.243 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.233 0.544 3.576 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.282 0.264 1.846 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.554 3.764 2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.492 0.201 2.221 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.855 4.306 3.210 1.00 0.00 H new ATOM 611 N LYS A 68 -3.712 1.712 0.210 1.00 0.00 N ATOM 612 CA LYS A 68 -3.613 2.131 -1.133 1.00 0.00 C ATOM 613 C LYS A 68 -4.737 3.102 -1.459 1.00 0.00 C ATOM 614 O LYS A 68 -4.597 3.993 -2.301 1.00 0.00 O ATOM 615 CB LYS A 68 -3.493 0.947 -2.024 1.00 0.00 C ATOM 616 CG LYS A 68 -2.308 0.022 -1.611 1.00 0.00 C ATOM 617 CD LYS A 68 -2.146 -1.101 -2.628 1.00 0.00 C ATOM 618 CE LYS A 68 -1.705 -0.569 -3.976 1.00 0.00 C ATOM 619 NZ LYS A 68 -1.515 -1.654 -4.962 1.00 0.00 N ATOM 0 H LYS A 68 -4.051 0.760 0.345 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.700 2.701 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.423 0.378 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.351 1.280 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.388 0.602 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.490 -0.396 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.414 -1.821 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.091 -1.634 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.449 0.135 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.773 -0.016 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.213 -1.248 -5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.787 -2.312 -4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.411 -2.166 -5.092 1.00 0.00 H new ATOM 633 N LYS A 69 -5.829 2.916 -0.772 1.00 0.00 N ATOM 634 CA LYS A 69 -6.899 3.891 -0.697 1.00 0.00 C ATOM 635 C LYS A 69 -6.326 5.221 -0.149 1.00 0.00 C ATOM 636 O LYS A 69 -6.532 6.296 -0.724 1.00 0.00 O ATOM 637 CB LYS A 69 -7.947 3.369 0.282 1.00 0.00 C ATOM 638 CG LYS A 69 -9.003 4.372 0.674 1.00 0.00 C ATOM 639 CD LYS A 69 -9.916 4.744 -0.476 1.00 0.00 C ATOM 640 CE LYS A 69 -10.981 5.729 -0.022 1.00 0.00 C ATOM 641 NZ LYS A 69 -11.797 5.193 1.097 1.00 0.00 N ATOM 0 H LYS A 69 -6.011 2.068 -0.235 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.339 4.053 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.437 2.501 -0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.441 3.024 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.601 3.963 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.519 5.272 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.330 5.182 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.390 3.847 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.505 6.659 0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.632 5.971 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.656 5.769 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.064 4.209 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.243 5.225 1.977 1.00 0.00 H new ATOM 655 N ARG A 70 -5.590 5.108 0.965 1.00 0.00 N ATOM 656 CA ARG A 70 -4.953 6.226 1.650 1.00 0.00 C ATOM 657 C ARG A 70 -4.001 6.931 0.680 1.00 0.00 C ATOM 658 O ARG A 70 -3.871 8.132 0.693 1.00 0.00 O ATOM 659 CB ARG A 70 -4.131 5.671 2.827 1.00 0.00 C ATOM 660 CG ARG A 70 -3.693 6.677 3.867 1.00 0.00 C ATOM 661 CD ARG A 70 -4.878 7.146 4.691 1.00 0.00 C ATOM 662 NE ARG A 70 -5.557 6.012 5.365 1.00 0.00 N ATOM 663 CZ ARG A 70 -6.070 6.042 6.606 1.00 0.00 C ATOM 664 NH1 ARG A 70 -5.817 7.061 7.420 1.00 0.00 N ATOM 665 NH2 ARG A 70 -6.766 5.007 7.055 1.00 0.00 N ATOM 0 H ARG A 70 -5.421 4.211 1.421 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.708 6.927 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.720 4.900 3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.242 5.184 2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.944 6.230 4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.222 7.530 3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.541 7.865 5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.588 7.665 4.047 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.641 5.139 4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.228 7.831 7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.212 7.073 8.360 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.910 4.192 6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.157 5.026 7.997 1.00 0.00 H new ATOM 679 N LEU A 71 -3.372 6.149 -0.185 1.00 0.00 N ATOM 680 CA LEU A 71 -2.403 6.636 -1.135 1.00 0.00 C ATOM 681 C LEU A 71 -3.032 7.584 -2.128 1.00 0.00 C ATOM 682 O LEU A 71 -2.414 8.568 -2.534 1.00 0.00 O ATOM 683 CB LEU A 71 -1.757 5.473 -1.868 1.00 0.00 C ATOM 684 CG LEU A 71 -0.880 4.523 -1.054 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.334 3.417 -1.938 1.00 0.00 C ATOM 686 CD2 LEU A 71 0.260 5.272 -0.396 1.00 0.00 C ATOM 0 H LEU A 71 -3.529 5.143 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.640 7.183 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.550 4.885 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.150 5.881 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.497 4.079 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.289 2.749 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.162 2.854 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.264 3.853 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.870 4.575 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.874 5.746 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.143 6.035 0.270 1.00 0.00 H new ATOM 698 N LYS A 72 -4.262 7.296 -2.497 1.00 0.00 N ATOM 699 CA LYS A 72 -5.001 8.110 -3.440 1.00 0.00 C ATOM 700 C LYS A 72 -5.208 9.520 -2.881 1.00 0.00 C ATOM 701 O LYS A 72 -5.033 10.515 -3.595 1.00 0.00 O ATOM 702 CB LYS A 72 -6.338 7.439 -3.770 1.00 0.00 C ATOM 703 CG LYS A 72 -7.194 8.176 -4.784 1.00 0.00 C ATOM 704 CD LYS A 72 -8.482 7.419 -5.046 1.00 0.00 C ATOM 705 CE LYS A 72 -9.378 8.150 -6.028 1.00 0.00 C ATOM 706 NZ LYS A 72 -10.642 7.417 -6.270 1.00 0.00 N ATOM 0 H LYS A 72 -4.780 6.488 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.428 8.201 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.140 6.435 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.909 7.328 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.422 9.177 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.641 8.297 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.248 6.428 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.015 7.274 -4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.603 9.145 -5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.849 8.285 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.227 7.948 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.429 6.477 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.159 7.311 -5.374 1.00 0.00 H new ATOM 720 N GLN A 73 -5.541 9.608 -1.599 1.00 0.00 N ATOM 721 CA GLN A 73 -5.741 10.905 -0.971 1.00 0.00 C ATOM 722 C GLN A 73 -4.396 11.561 -0.640 1.00 0.00 C ATOM 723 O GLN A 73 -4.282 12.785 -0.623 1.00 0.00 O ATOM 724 CB GLN A 73 -6.648 10.816 0.268 1.00 0.00 C ATOM 725 CG GLN A 73 -6.083 9.994 1.393 1.00 0.00 C ATOM 726 CD GLN A 73 -7.014 9.889 2.571 1.00 0.00 C ATOM 727 OE1 GLN A 73 -7.830 8.968 2.653 1.00 0.00 O ATOM 728 NE2 GLN A 73 -6.909 10.818 3.481 1.00 0.00 N ATOM 0 H GLN A 73 -5.676 8.807 -0.982 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.259 11.540 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.844 11.824 0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.608 10.393 -0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.856 8.993 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.141 10.434 1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.220 11.562 3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.516 10.800 4.300 1.00 0.00 H new ATOM 737 N LEU A 74 -3.362 10.739 -0.409 1.00 0.00 N ATOM 738 CA LEU A 74 -2.030 11.219 -0.151 1.00 0.00 C ATOM 739 C LEU A 74 -1.411 11.808 -1.405 1.00 0.00 C ATOM 740 O LEU A 74 -0.455 12.567 -1.334 1.00 0.00 O ATOM 741 CB LEU A 74 -1.163 10.104 0.375 1.00 0.00 C ATOM 742 CG LEU A 74 -1.506 9.519 1.750 1.00 0.00 C ATOM 743 CD1 LEU A 74 -0.524 8.422 2.122 1.00 0.00 C ATOM 744 CD2 LEU A 74 -1.522 10.593 2.813 1.00 0.00 C ATOM 0 H LEU A 74 -3.444 9.722 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.096 12.004 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.187 9.291 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.136 10.468 0.413 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.506 9.089 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.783 8.018 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.568 7.626 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.485 8.833 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.768 10.147 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.540 11.063 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.269 11.345 2.559 1.00 0.00 H new ATOM 756 N SER A 75 -1.958 11.442 -2.552 1.00 0.00 N ATOM 757 CA SER A 75 -1.502 11.977 -3.814 1.00 0.00 C ATOM 758 C SER A 75 -1.882 13.463 -3.897 1.00 0.00 C ATOM 759 O SER A 75 -1.145 14.282 -4.440 1.00 0.00 O ATOM 760 CB SER A 75 -2.116 11.179 -4.962 1.00 0.00 C ATOM 761 OG SER A 75 -1.801 9.793 -4.833 1.00 0.00 O ATOM 0 H SER A 75 -2.723 10.772 -2.630 1.00 0.00 H new ATOM 0 HA SER A 75 -0.418 11.893 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.198 11.313 -4.968 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.743 11.555 -5.915 1.00 0.00 H new ATOM 0 HG SER A 75 -2.189 9.445 -4.003 1.00 0.00 H new ATOM 767 N VAL A 76 -3.024 13.792 -3.322 1.00 0.00 N ATOM 768 CA VAL A 76 -3.471 15.162 -3.247 1.00 0.00 C ATOM 769 C VAL A 76 -2.773 15.812 -2.058 1.00 0.00 C ATOM 770 O VAL A 76 -2.212 16.900 -2.165 1.00 0.00 O ATOM 771 CB VAL A 76 -5.007 15.236 -3.046 1.00 0.00 C ATOM 772 CG1 VAL A 76 -5.494 16.682 -2.999 1.00 0.00 C ATOM 773 CG2 VAL A 76 -5.734 14.456 -4.139 1.00 0.00 C ATOM 0 H VAL A 76 -3.661 13.118 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.230 15.677 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.237 14.777 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.575 16.698 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.012 17.202 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.244 17.181 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.810 14.521 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.486 14.878 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.425 13.411 -4.107 1.00 0.00 H new ATOM 783 N GLU A 77 -2.798 15.086 -0.947 1.00 0.00 N ATOM 784 CA GLU A 77 -2.183 15.470 0.313 1.00 0.00 C ATOM 785 C GLU A 77 -2.758 16.784 0.859 1.00 0.00 C ATOM 786 O GLU A 77 -2.210 17.868 0.638 1.00 0.00 O ATOM 787 CB GLU A 77 -0.647 15.492 0.236 1.00 0.00 C ATOM 788 CG GLU A 77 0.049 15.823 1.549 1.00 0.00 C ATOM 789 CD GLU A 77 1.545 15.862 1.398 1.00 0.00 C ATOM 790 OE1 GLU A 77 2.054 16.769 0.691 1.00 0.00 O ATOM 791 OE2 GLU A 77 2.238 14.987 1.956 1.00 0.00 O ATOM 0 H GLU A 77 -3.265 14.180 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.441 14.693 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.300 14.518 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.344 16.222 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.304 16.788 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.221 15.080 2.300 1.00 0.00 H new ATOM 798 N PRO A 78 -3.901 16.695 1.542 1.00 0.00 N ATOM 799 CA PRO A 78 -4.567 17.831 2.152 1.00 0.00 C ATOM 800 C PRO A 78 -4.233 17.878 3.640 1.00 0.00 C ATOM 801 O PRO A 78 -5.107 18.108 4.480 1.00 0.00 O ATOM 802 CB PRO A 78 -6.038 17.447 1.950 1.00 0.00 C ATOM 803 CG PRO A 78 -6.072 15.943 2.029 1.00 0.00 C ATOM 804 CD PRO A 78 -4.663 15.454 1.775 1.00 0.00 C ATOM 0 HA PRO A 78 -4.294 18.803 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.670 17.895 2.717 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.407 17.799 0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.423 15.616 3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.761 15.534 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.272 14.898 2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.619 14.789 0.913 1.00 0.00 H new ATOM 812 N TYR A 79 -2.938 17.719 3.933 1.00 0.00 N ATOM 813 CA TYR A 79 -2.415 17.575 5.288 1.00 0.00 C ATOM 814 C TYR A 79 -2.713 16.208 5.836 1.00 0.00 C ATOM 815 O TYR A 79 -3.868 15.788 5.952 1.00 0.00 O ATOM 816 CB TYR A 79 -2.848 18.699 6.253 1.00 0.00 C ATOM 817 CG TYR A 79 -2.504 18.456 7.717 1.00 0.00 C ATOM 818 CD1 TYR A 79 -1.209 18.617 8.194 1.00 0.00 C ATOM 819 CD2 TYR A 79 -3.485 18.057 8.619 1.00 0.00 C ATOM 820 CE1 TYR A 79 -0.910 18.390 9.527 1.00 0.00 C ATOM 821 CE2 TYR A 79 -3.190 17.832 9.946 1.00 0.00 C ATOM 822 CZ TYR A 79 -1.905 17.999 10.396 1.00 0.00 C ATOM 823 OH TYR A 79 -1.610 17.774 11.724 1.00 0.00 O ATOM 0 H TYR A 79 -2.212 17.687 3.217 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.333 17.682 5.208 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -2.381 19.631 5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.926 18.837 6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.426 18.923 7.517 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.499 17.921 8.272 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.101 18.519 9.885 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.968 17.525 10.630 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.308 17.214 12.124 1.00 0.00 H new ATOM 833 N SER A 80 -1.684 15.519 6.160 1.00 0.00 N ATOM 834 CA SER A 80 -1.792 14.219 6.663 1.00 0.00 C ATOM 835 C SER A 80 -1.139 14.185 8.022 1.00 0.00 C ATOM 836 O SER A 80 0.058 14.427 8.150 1.00 0.00 O ATOM 837 CB SER A 80 -1.103 13.257 5.711 1.00 0.00 C ATOM 838 OG SER A 80 -1.617 13.401 4.389 1.00 0.00 O ATOM 0 H SER A 80 -0.726 15.858 6.078 1.00 0.00 H new ATOM 0 HA SER A 80 -2.837 13.922 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.029 13.444 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.248 12.232 6.053 1.00 0.00 H new ATOM 0 HG SER A 80 -0.916 13.183 3.740 1.00 0.00 H new ATOM 844 N GLN A 81 -1.904 13.882 9.038 1.00 0.00 N ATOM 845 CA GLN A 81 -1.360 13.859 10.390 1.00 0.00 C ATOM 846 C GLN A 81 -0.614 12.541 10.629 1.00 0.00 C ATOM 847 O GLN A 81 -0.034 12.301 11.665 1.00 0.00 O ATOM 848 CB GLN A 81 -2.455 14.162 11.425 1.00 0.00 C ATOM 849 CG GLN A 81 -1.953 14.375 12.845 1.00 0.00 C ATOM 850 CD GLN A 81 -3.045 14.870 13.764 1.00 0.00 C ATOM 851 OE1 GLN A 81 -3.250 16.075 13.901 1.00 0.00 O ATOM 852 NE2 GLN A 81 -3.739 13.964 14.399 1.00 0.00 N ATOM 0 H GLN A 81 -2.895 13.649 8.968 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.624 14.654 10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.996 15.054 11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.170 13.339 11.428 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.551 13.438 13.232 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.134 15.094 12.836 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.537 12.974 14.257 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.483 14.246 15.037 1.00 0.00 H new ATOM 861 N GLU A 82 -0.615 11.744 9.600 1.00 0.00 N ATOM 862 CA GLU A 82 0.102 10.479 9.543 1.00 0.00 C ATOM 863 C GLU A 82 1.515 10.732 8.994 1.00 0.00 C ATOM 864 O GLU A 82 2.392 9.866 9.023 1.00 0.00 O ATOM 865 CB GLU A 82 -0.673 9.510 8.647 1.00 0.00 C ATOM 866 CG GLU A 82 -2.074 9.221 9.170 1.00 0.00 C ATOM 867 CD GLU A 82 -2.898 8.359 8.249 1.00 0.00 C ATOM 868 OE1 GLU A 82 -2.700 7.138 8.230 1.00 0.00 O ATOM 869 OE2 GLU A 82 -3.790 8.908 7.546 1.00 0.00 O ATOM 0 H GLU A 82 -1.128 11.953 8.744 1.00 0.00 H new ATOM 0 HA GLU A 82 0.190 10.038 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.743 9.927 7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.119 8.575 8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.996 8.730 10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.594 10.165 9.332 1.00 0.00 H new ATOM 876 N GLU A 83 1.703 11.944 8.483 1.00 0.00 N ATOM 877 CA GLU A 83 2.990 12.419 8.006 1.00 0.00 C ATOM 878 C GLU A 83 3.632 13.130 9.197 1.00 0.00 C ATOM 879 O GLU A 83 4.840 13.028 9.451 1.00 0.00 O ATOM 880 CB GLU A 83 2.738 13.398 6.811 1.00 0.00 C ATOM 881 CG GLU A 83 3.968 13.909 6.030 1.00 0.00 C ATOM 882 CD GLU A 83 4.909 14.778 6.830 1.00 0.00 C ATOM 883 OE1 GLU A 83 4.522 15.926 7.181 1.00 0.00 O ATOM 884 OE2 GLU A 83 6.055 14.341 7.098 1.00 0.00 O ATOM 0 H GLU A 83 0.954 12.630 8.389 1.00 0.00 H new ATOM 0 HA GLU A 83 3.643 11.624 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.075 12.900 6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.201 14.265 7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.522 13.051 5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.622 14.473 5.164 1.00 0.00 H new ATOM 891 N ALA A 84 2.776 13.809 9.940 1.00 0.00 N ATOM 892 CA ALA A 84 3.129 14.531 11.141 1.00 0.00 C ATOM 893 C ALA A 84 3.391 13.555 12.300 1.00 0.00 C ATOM 894 O ALA A 84 3.773 12.387 12.078 1.00 0.00 O ATOM 895 CB ALA A 84 1.977 15.475 11.492 1.00 0.00 C ATOM 0 H ALA A 84 1.784 13.873 9.713 1.00 0.00 H new ATOM 0 HA ALA A 84 4.042 15.102 10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.224 16.030 12.397 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.816 16.173 10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.069 14.895 11.659 1.00 0.00 H new ATOM 901 N GLU A 85 3.201 14.061 13.514 1.00 0.00 N ATOM 902 CA GLU A 85 3.395 13.345 14.776 1.00 0.00 C ATOM 903 C GLU A 85 4.820 13.405 15.236 1.00 0.00 C ATOM 904 O GLU A 85 5.661 12.611 14.811 1.00 0.00 O ATOM 905 CB GLU A 85 2.863 11.897 14.789 1.00 0.00 C ATOM 906 CG GLU A 85 1.375 11.758 14.552 1.00 0.00 C ATOM 907 CD GLU A 85 0.931 10.321 14.609 1.00 0.00 C ATOM 908 OE1 GLU A 85 0.627 9.827 15.725 1.00 0.00 O ATOM 909 OE2 GLU A 85 0.876 9.655 13.551 1.00 0.00 O ATOM 0 H GLU A 85 2.894 15.024 13.654 1.00 0.00 H new ATOM 0 HA GLU A 85 2.774 13.882 15.493 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.392 11.325 14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.106 11.446 15.751 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.832 12.336 15.300 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.121 12.178 13.579 1.00 0.00 H new ATOM 916 N ARG A 86 5.103 14.402 16.051 1.00 0.00 N ATOM 917 CA ARG A 86 6.403 14.542 16.688 1.00 0.00 C ATOM 918 C ARG A 86 6.704 13.275 17.499 1.00 0.00 C ATOM 919 O ARG A 86 5.953 12.916 18.418 1.00 0.00 O ATOM 920 CB ARG A 86 6.484 15.831 17.588 1.00 0.00 C ATOM 921 CG ARG A 86 5.555 15.883 18.833 1.00 0.00 C ATOM 922 CD ARG A 86 4.075 15.845 18.470 1.00 0.00 C ATOM 923 NE ARG A 86 3.204 15.848 19.639 1.00 0.00 N ATOM 924 CZ ARG A 86 1.919 15.465 19.634 1.00 0.00 C ATOM 925 NH1 ARG A 86 1.349 15.057 18.508 1.00 0.00 N ATOM 926 NH2 ARG A 86 1.206 15.502 20.749 1.00 0.00 N ATOM 0 H ARG A 86 4.440 15.139 16.292 1.00 0.00 H new ATOM 0 HA ARG A 86 7.159 14.663 15.913 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.513 15.942 17.929 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.261 16.695 16.963 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.785 15.042 19.487 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.762 16.792 19.397 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.837 16.705 17.844 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.875 14.953 17.876 1.00 0.00 H new ATOM 0 HE ARG A 86 3.600 16.164 20.524 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.888 15.034 17.643 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.371 14.766 18.508 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.634 15.823 21.618 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.229 15.210 20.739 1.00 0.00 H new ATOM 940 N ALA A 87 7.755 12.596 17.136 1.00 0.00 N ATOM 941 CA ALA A 87 8.093 11.355 17.771 1.00 0.00 C ATOM 942 C ALA A 87 9.033 11.574 18.933 1.00 0.00 C ATOM 943 O ALA A 87 8.643 11.385 20.088 1.00 0.00 O ATOM 944 CB ALA A 87 8.691 10.380 16.760 1.00 0.00 C ATOM 0 H ALA A 87 8.397 12.884 16.398 1.00 0.00 H new ATOM 0 HA ALA A 87 7.176 10.918 18.166 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.941 9.445 17.261 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.966 10.186 15.969 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.593 10.812 16.327 1.00 0.00 H new ATOM 950 N ALA A 88 10.260 12.004 18.622 1.00 0.00 N ATOM 951 CA ALA A 88 11.322 12.181 19.600 1.00 0.00 C ATOM 952 C ALA A 88 11.689 10.836 20.193 1.00 0.00 C ATOM 953 O ALA A 88 11.078 10.364 21.161 1.00 0.00 O ATOM 954 CB ALA A 88 10.981 13.218 20.679 1.00 0.00 C ATOM 0 H ALA A 88 10.540 12.240 17.670 1.00 0.00 H new ATOM 0 HA ALA A 88 12.191 12.589 19.084 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.813 13.303 21.378 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.800 14.185 20.210 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.087 12.903 21.217 1.00 0.00 H new ATOM 960 N GLY A 89 12.633 10.204 19.572 1.00 0.00 N ATOM 961 CA GLY A 89 13.045 8.888 19.976 1.00 0.00 C ATOM 962 C GLY A 89 12.799 7.880 18.878 1.00 0.00 C ATOM 963 O GLY A 89 12.581 6.700 19.143 1.00 0.00 O ATOM 0 H GLY A 89 13.142 10.580 18.772 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.104 8.898 20.234 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.501 8.593 20.873 1.00 0.00 H new ATOM 967 N MET A 90 12.823 8.354 17.639 1.00 0.00 N ATOM 968 CA MET A 90 12.626 7.507 16.467 1.00 0.00 C ATOM 969 C MET A 90 13.848 6.578 16.354 1.00 0.00 C ATOM 970 O MET A 90 14.921 6.917 16.881 1.00 0.00 O ATOM 971 CB MET A 90 12.439 8.431 15.221 1.00 0.00 C ATOM 972 CG MET A 90 11.978 7.765 13.911 1.00 0.00 C ATOM 973 SD MET A 90 13.216 6.742 13.095 1.00 0.00 S ATOM 974 CE MET A 90 12.263 6.134 11.715 1.00 0.00 C ATOM 0 H MET A 90 12.980 9.337 17.417 1.00 0.00 H new ATOM 0 HA MET A 90 11.736 6.882 16.542 1.00 0.00 H new ATOM 0 HB2 MET A 90 11.715 9.204 15.480 1.00 0.00 H new ATOM 0 HB3 MET A 90 13.387 8.934 15.029 1.00 0.00 H new ATOM 0 HG2 MET A 90 11.104 7.150 14.123 1.00 0.00 H new ATOM 0 HG3 MET A 90 11.659 8.544 13.218 1.00 0.00 H new ATOM 0 HE1 MET A 90 12.885 5.480 11.103 1.00 0.00 H new ATOM 0 HE2 MET A 90 11.403 5.576 12.085 1.00 0.00 H new ATOM 0 HE3 MET A 90 11.918 6.974 11.113 1.00 0.00 H new ATOM 984 N GLY A 91 13.686 5.417 15.723 1.00 0.00 N ATOM 985 CA GLY A 91 14.757 4.449 15.632 1.00 0.00 C ATOM 986 C GLY A 91 15.901 4.890 14.733 1.00 0.00 C ATOM 987 O GLY A 91 16.432 5.999 14.873 1.00 0.00 O ATOM 0 H GLY A 91 12.819 5.131 15.269 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.146 4.255 16.632 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.354 3.508 15.258 1.00 0.00 H new ATOM 991 N SER A 92 16.264 4.035 13.795 1.00 0.00 N ATOM 992 CA SER A 92 17.416 4.251 12.897 1.00 0.00 C ATOM 993 C SER A 92 18.676 4.636 13.697 1.00 0.00 C ATOM 994 O SER A 92 19.445 5.522 13.310 1.00 0.00 O ATOM 995 CB SER A 92 17.079 5.261 11.761 1.00 0.00 C ATOM 996 OG SER A 92 16.601 6.512 12.253 1.00 0.00 O ATOM 0 H SER A 92 15.772 3.158 13.622 1.00 0.00 H new ATOM 0 HA SER A 92 17.641 3.308 12.399 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.970 5.431 11.157 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.327 4.824 11.104 1.00 0.00 H new ATOM 0 HG SER A 92 16.859 6.614 13.193 1.00 0.00 H new ATOM 1002 N TYR A 93 18.878 3.919 14.800 1.00 0.00 N ATOM 1003 CA TYR A 93 19.959 4.173 15.727 1.00 0.00 C ATOM 1004 C TYR A 93 21.319 4.016 15.068 1.00 0.00 C ATOM 1005 O TYR A 93 21.596 3.012 14.388 1.00 0.00 O ATOM 1006 CB TYR A 93 19.849 3.251 16.955 1.00 0.00 C ATOM 1007 CG TYR A 93 20.899 3.495 18.033 1.00 0.00 C ATOM 1008 CD1 TYR A 93 20.668 4.409 19.049 1.00 0.00 C ATOM 1009 CD2 TYR A 93 22.113 2.817 18.028 1.00 0.00 C ATOM 1010 CE1 TYR A 93 21.616 4.647 20.026 1.00 0.00 C ATOM 1011 CE2 TYR A 93 23.063 3.047 19.001 1.00 0.00 C ATOM 1012 CZ TYR A 93 22.812 3.962 19.997 1.00 0.00 C ATOM 1013 OH TYR A 93 23.768 4.208 20.963 1.00 0.00 O ATOM 0 H TYR A 93 18.283 3.136 15.072 1.00 0.00 H new ATOM 0 HA TYR A 93 19.869 5.209 16.054 1.00 0.00 H new ATOM 0 HB2 TYR A 93 18.860 3.373 17.396 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.924 2.216 16.622 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.731 4.945 19.078 1.00 0.00 H new ATOM 0 HD2 TYR A 93 22.316 2.098 17.248 1.00 0.00 H new ATOM 0 HE1 TYR A 93 21.421 5.366 20.808 1.00 0.00 H new ATOM 0 HE2 TYR A 93 24.000 2.511 18.981 1.00 0.00 H new ATOM 0 HH TYR A 93 24.551 3.642 20.800 1.00 0.00 H new ATOM 1023 N VAL A 94 22.140 4.998 15.262 1.00 0.00 N ATOM 1024 CA VAL A 94 23.488 4.994 14.780 1.00 0.00 C ATOM 1025 C VAL A 94 24.461 4.780 15.937 1.00 0.00 C ATOM 1026 O VAL A 94 24.516 5.631 16.855 1.00 0.00 O ATOM 1027 CB VAL A 94 23.842 6.253 13.913 1.00 0.00 C ATOM 1028 CG1 VAL A 94 23.570 7.555 14.645 1.00 0.00 C ATOM 1029 CG2 VAL A 94 25.289 6.193 13.426 1.00 0.00 C ATOM 0 H VAL A 94 21.888 5.845 15.771 1.00 0.00 H new ATOM 0 HA VAL A 94 23.588 4.153 14.094 1.00 0.00 H new ATOM 0 HB VAL A 94 23.184 6.234 13.044 1.00 0.00 H new ATOM 0 HG11 VAL A 94 23.832 8.395 14.002 1.00 0.00 H new ATOM 0 HG12 VAL A 94 22.513 7.612 14.905 1.00 0.00 H new ATOM 0 HG13 VAL A 94 24.170 7.593 15.554 1.00 0.00 H new ATOM 0 HG21 VAL A 94 25.508 7.077 12.828 1.00 0.00 H new ATOM 0 HG22 VAL A 94 25.961 6.160 14.284 1.00 0.00 H new ATOM 0 HG23 VAL A 94 25.432 5.299 12.819 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 2.988 2.058 3.160 1.00 0.00 ZN