USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 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 Single : A 30 ASN : amide:sc= -1.71! C(o=-1.7!,f=-4.4!) USER MOD Single : A 43 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-4!) 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 80:sc= 1.25 USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 67:sc= 1.3 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+ 177:sc= 0 (180deg=-0.0141) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 2.09 (180deg=1.67) USER MOD Single : A 73 GLN : amide:sc= -0.0615 X(o=-0.061,f=-0.059) USER MOD Single : A 75 SER OG : rot -22:sc= 0.853 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl -167:sc= -0.0292 (180deg=-0.28) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 32.927 -8.810 -3.283 1.00 0.00 N ATOM 2 CA ASP A 28 31.595 -8.531 -2.742 1.00 0.00 C ATOM 3 C ASP A 28 30.605 -8.589 -3.893 1.00 0.00 C ATOM 4 O ASP A 28 30.976 -8.256 -5.022 1.00 0.00 O ATOM 5 CB ASP A 28 31.581 -7.137 -2.077 1.00 0.00 C ATOM 6 CG ASP A 28 30.271 -6.806 -1.384 1.00 0.00 C ATOM 7 OD1 ASP A 28 30.092 -7.207 -0.209 1.00 0.00 O ATOM 8 OD2 ASP A 28 29.411 -6.131 -1.986 1.00 0.00 O ATOM 0 HA ASP A 28 31.324 -9.265 -1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 28 32.391 -7.083 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 28 31.782 -6.380 -2.835 1.00 0.00 H new ATOM 13 N PRO A 29 29.361 -9.080 -3.662 1.00 0.00 N ATOM 14 CA PRO A 29 28.309 -9.136 -4.705 1.00 0.00 C ATOM 15 C PRO A 29 27.988 -7.774 -5.357 1.00 0.00 C ATOM 16 O PRO A 29 28.677 -6.768 -5.139 1.00 0.00 O ATOM 17 CB PRO A 29 27.083 -9.685 -3.958 1.00 0.00 C ATOM 18 CG PRO A 29 27.644 -10.399 -2.778 1.00 0.00 C ATOM 19 CD PRO A 29 28.888 -9.659 -2.387 1.00 0.00 C ATOM 0 HA PRO A 29 28.633 -9.752 -5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.414 -8.881 -3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 29 26.504 -10.359 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 29 26.927 -10.415 -1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 29 27.870 -11.437 -3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 29 28.679 -8.885 -1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 29 29.631 -10.326 -1.949 1.00 0.00 H new ATOM 27 N ASN A 30 26.948 -7.774 -6.170 1.00 0.00 N ATOM 28 CA ASN A 30 26.507 -6.587 -6.940 1.00 0.00 C ATOM 29 C ASN A 30 26.344 -5.338 -6.060 1.00 0.00 C ATOM 30 O ASN A 30 26.746 -4.238 -6.446 1.00 0.00 O ATOM 31 CB ASN A 30 25.200 -6.881 -7.667 1.00 0.00 C ATOM 32 CG ASN A 30 24.703 -5.710 -8.488 1.00 0.00 C ATOM 33 OD1 ASN A 30 23.969 -4.866 -7.997 1.00 0.00 O ATOM 34 ND2 ASN A 30 25.078 -5.662 -9.736 1.00 0.00 N ATOM 0 H ASN A 30 26.368 -8.598 -6.328 1.00 0.00 H new ATOM 0 HA ASN A 30 27.292 -6.374 -7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.340 -7.742 -8.320 1.00 0.00 H new ATOM 0 HB3 ASN A 30 24.438 -7.155 -6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 30 24.757 -4.902 -10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 30 25.692 -6.384 -10.112 1.00 0.00 H new ATOM 41 N ALA A 31 25.766 -5.531 -4.884 1.00 0.00 N ATOM 42 CA ALA A 31 25.571 -4.465 -3.880 1.00 0.00 C ATOM 43 C ALA A 31 24.627 -3.368 -4.344 1.00 0.00 C ATOM 44 O ALA A 31 24.789 -2.196 -3.996 1.00 0.00 O ATOM 45 CB ALA A 31 26.895 -3.894 -3.390 1.00 0.00 C ATOM 0 H ALA A 31 25.411 -6.439 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 31 25.084 -4.945 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 31 26.704 -3.114 -2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 31 27.487 -4.687 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.443 -3.472 -4.232 1.00 0.00 H new ATOM 51 N GLU A 32 23.616 -3.772 -5.065 1.00 0.00 N ATOM 52 CA GLU A 32 22.538 -2.877 -5.493 1.00 0.00 C ATOM 53 C GLU A 32 21.780 -2.438 -4.238 1.00 0.00 C ATOM 54 O GLU A 32 21.187 -1.373 -4.165 1.00 0.00 O ATOM 55 CB GLU A 32 21.584 -3.641 -6.417 1.00 0.00 C ATOM 56 CG GLU A 32 20.414 -2.838 -6.989 1.00 0.00 C ATOM 57 CD GLU A 32 20.843 -1.721 -7.906 1.00 0.00 C ATOM 58 OE1 GLU A 32 21.240 -2.011 -9.060 1.00 0.00 O ATOM 59 OE2 GLU A 32 20.780 -0.545 -7.504 1.00 0.00 O ATOM 0 H GLU A 32 23.503 -4.735 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 32 22.938 -2.015 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 32 22.162 -4.045 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.180 -4.491 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.753 -3.512 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.834 -2.420 -6.166 1.00 0.00 H new ATOM 66 N PHE A 33 21.846 -3.298 -3.269 1.00 0.00 N ATOM 67 CA PHE A 33 21.236 -3.151 -1.990 1.00 0.00 C ATOM 68 C PHE A 33 22.283 -2.687 -0.987 1.00 0.00 C ATOM 69 O PHE A 33 23.471 -3.019 -1.129 1.00 0.00 O ATOM 70 CB PHE A 33 20.691 -4.543 -1.559 1.00 0.00 C ATOM 71 CG PHE A 33 21.738 -5.642 -1.540 1.00 0.00 C ATOM 72 CD1 PHE A 33 22.053 -6.343 -2.698 1.00 0.00 C ATOM 73 CD2 PHE A 33 22.413 -5.959 -0.368 1.00 0.00 C ATOM 74 CE1 PHE A 33 23.015 -7.328 -2.688 1.00 0.00 C ATOM 75 CE2 PHE A 33 23.375 -6.947 -0.355 1.00 0.00 C ATOM 76 CZ PHE A 33 23.678 -7.629 -1.517 1.00 0.00 C ATOM 0 H PHE A 33 22.360 -4.174 -3.359 1.00 0.00 H new ATOM 0 HA PHE A 33 20.428 -2.420 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 33 20.252 -4.457 -0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.889 -4.833 -2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 33 21.536 -6.112 -3.618 1.00 0.00 H new ATOM 0 HD2 PHE A 33 22.182 -5.426 0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.250 -7.864 -3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 33 23.891 -7.187 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 33 24.435 -8.399 -1.509 1.00 0.00 H new ATOM 86 N ASP A 34 21.888 -1.909 -0.013 1.00 0.00 N ATOM 87 CA ASP A 34 22.806 -1.576 1.059 1.00 0.00 C ATOM 88 C ASP A 34 22.635 -2.634 2.130 1.00 0.00 C ATOM 89 O ASP A 34 21.507 -2.913 2.538 1.00 0.00 O ATOM 90 CB ASP A 34 22.543 -0.190 1.646 1.00 0.00 C ATOM 91 CG ASP A 34 23.601 0.212 2.666 1.00 0.00 C ATOM 92 OD1 ASP A 34 23.559 -0.266 3.821 1.00 0.00 O ATOM 93 OD2 ASP A 34 24.502 1.018 2.310 1.00 0.00 O ATOM 0 H ASP A 34 20.958 -1.498 0.066 1.00 0.00 H new ATOM 0 HA ASP A 34 23.824 -1.553 0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 34 22.518 0.545 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 34 21.561 -0.178 2.119 1.00 0.00 H new ATOM 98 N PRO A 35 23.724 -3.258 2.582 1.00 0.00 N ATOM 99 CA PRO A 35 23.656 -4.378 3.517 1.00 0.00 C ATOM 100 C PRO A 35 23.103 -4.040 4.905 1.00 0.00 C ATOM 101 O PRO A 35 22.582 -4.930 5.596 1.00 0.00 O ATOM 102 CB PRO A 35 25.097 -4.882 3.599 1.00 0.00 C ATOM 103 CG PRO A 35 25.931 -3.710 3.212 1.00 0.00 C ATOM 104 CD PRO A 35 25.119 -2.937 2.215 1.00 0.00 C ATOM 0 HA PRO A 35 22.946 -5.122 3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 35 25.340 -5.226 4.605 1.00 0.00 H new ATOM 0 HB3 PRO A 35 25.261 -5.724 2.926 1.00 0.00 H new ATOM 0 HG2 PRO A 35 26.169 -3.097 4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.878 -4.031 2.779 1.00 0.00 H new ATOM 0 HD2 PRO A 35 25.315 -1.867 2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.345 -3.240 1.193 1.00 0.00 H new ATOM 112 N ASP A 36 23.186 -2.790 5.321 1.00 0.00 N ATOM 113 CA ASP A 36 22.688 -2.439 6.650 1.00 0.00 C ATOM 114 C ASP A 36 21.232 -2.079 6.578 1.00 0.00 C ATOM 115 O ASP A 36 20.482 -2.244 7.541 1.00 0.00 O ATOM 116 CB ASP A 36 23.476 -1.296 7.266 1.00 0.00 C ATOM 117 CG ASP A 36 23.004 -0.965 8.679 1.00 0.00 C ATOM 118 OD1 ASP A 36 23.407 -1.671 9.641 1.00 0.00 O ATOM 119 OD2 ASP A 36 22.249 0.010 8.854 1.00 0.00 O ATOM 0 H ASP A 36 23.579 -2.018 4.783 1.00 0.00 H new ATOM 0 HA ASP A 36 22.816 -3.312 7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.534 -1.558 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.381 -0.411 6.637 1.00 0.00 H new ATOM 124 N LEU A 37 20.828 -1.618 5.437 1.00 0.00 N ATOM 125 CA LEU A 37 19.458 -1.238 5.234 1.00 0.00 C ATOM 126 C LEU A 37 18.601 -2.463 4.960 1.00 0.00 C ATOM 127 O LEU A 37 18.955 -3.301 4.126 1.00 0.00 O ATOM 128 CB LEU A 37 19.297 -0.199 4.108 1.00 0.00 C ATOM 129 CG LEU A 37 19.675 1.282 4.411 1.00 0.00 C ATOM 130 CD1 LEU A 37 21.112 1.437 4.868 1.00 0.00 C ATOM 131 CD2 LEU A 37 19.427 2.145 3.186 1.00 0.00 C ATOM 0 H LEU A 37 21.430 -1.493 4.623 1.00 0.00 H new ATOM 0 HA LEU A 37 19.117 -0.764 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.899 -0.530 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.256 -0.217 3.785 1.00 0.00 H new ATOM 0 HG LEU A 37 19.038 1.611 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.320 2.489 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.268 0.860 5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 37 21.783 1.074 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.694 3.178 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.035 1.783 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.373 2.094 2.912 1.00 0.00 H new ATOM 143 N PRO A 38 17.484 -2.613 5.684 1.00 0.00 N ATOM 144 CA PRO A 38 16.555 -3.720 5.482 1.00 0.00 C ATOM 145 C PRO A 38 16.013 -3.728 4.058 1.00 0.00 C ATOM 146 O PRO A 38 15.503 -2.706 3.566 1.00 0.00 O ATOM 147 CB PRO A 38 15.435 -3.450 6.497 1.00 0.00 C ATOM 148 CG PRO A 38 16.065 -2.570 7.519 1.00 0.00 C ATOM 149 CD PRO A 38 17.048 -1.725 6.769 1.00 0.00 C ATOM 0 HA PRO A 38 17.025 -4.693 5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.581 -2.963 6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.070 -4.376 6.941 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.319 -1.953 8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.562 -3.158 8.291 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.588 -0.814 6.385 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.882 -1.419 7.400 1.00 0.00 H new ATOM 157 N GLY A 39 16.184 -4.857 3.382 1.00 0.00 N ATOM 158 CA GLY A 39 15.733 -4.980 2.011 1.00 0.00 C ATOM 159 C GLY A 39 16.620 -4.218 1.087 1.00 0.00 C ATOM 160 O GLY A 39 16.229 -3.861 -0.033 1.00 0.00 O ATOM 0 H GLY A 39 16.629 -5.693 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.718 -6.031 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.711 -4.611 1.926 1.00 0.00 H new ATOM 164 N GLY A 40 17.807 -3.910 1.586 1.00 0.00 N ATOM 165 CA GLY A 40 18.767 -3.168 0.845 1.00 0.00 C ATOM 166 C GLY A 40 18.399 -1.720 0.755 1.00 0.00 C ATOM 167 O GLY A 40 19.086 -0.937 0.102 1.00 0.00 O ATOM 0 H GLY A 40 18.115 -4.177 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.745 -3.266 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 40 18.853 -3.585 -0.159 1.00 0.00 H new ATOM 171 N GLY A 41 17.306 -1.361 1.424 1.00 0.00 N ATOM 172 CA GLY A 41 16.766 -0.039 1.313 1.00 0.00 C ATOM 173 C GLY A 41 16.062 0.146 -0.021 1.00 0.00 C ATOM 174 O GLY A 41 15.644 1.243 -0.365 1.00 0.00 O ATOM 0 H GLY A 41 16.787 -1.980 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.065 0.142 2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.566 0.695 1.412 1.00 0.00 H new ATOM 178 N LEU A 42 15.930 -0.944 -0.764 1.00 0.00 N ATOM 179 CA LEU A 42 15.328 -0.928 -2.073 1.00 0.00 C ATOM 180 C LEU A 42 13.846 -1.166 -1.964 1.00 0.00 C ATOM 181 O LEU A 42 13.082 -0.865 -2.873 1.00 0.00 O ATOM 182 CB LEU A 42 15.943 -2.035 -2.923 1.00 0.00 C ATOM 183 CG LEU A 42 17.456 -1.986 -3.132 1.00 0.00 C ATOM 184 CD1 LEU A 42 17.911 -3.164 -3.979 1.00 0.00 C ATOM 185 CD2 LEU A 42 17.870 -0.677 -3.780 1.00 0.00 C ATOM 0 H LEU A 42 16.243 -1.868 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 42 15.506 0.044 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.695 -2.992 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 42 15.464 -2.017 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 42 17.938 -2.050 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.991 -3.116 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 42 17.652 -4.096 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.417 -3.126 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 42 18.951 -0.666 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.379 -0.579 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.578 0.155 -3.139 1.00 0.00 H new ATOM 197 N HIS A 43 13.441 -1.709 -0.847 1.00 0.00 N ATOM 198 CA HIS A 43 12.061 -2.032 -0.644 1.00 0.00 C ATOM 199 C HIS A 43 11.565 -1.292 0.555 1.00 0.00 C ATOM 200 O HIS A 43 11.786 -1.704 1.702 1.00 0.00 O ATOM 201 CB HIS A 43 11.845 -3.537 -0.461 1.00 0.00 C ATOM 202 CG HIS A 43 12.453 -4.400 -1.528 1.00 0.00 C ATOM 203 ND1 HIS A 43 11.838 -4.672 -2.726 1.00 0.00 N ATOM 204 CD2 HIS A 43 13.627 -5.070 -1.552 1.00 0.00 C ATOM 205 CE1 HIS A 43 12.602 -5.477 -3.438 1.00 0.00 C ATOM 206 NE2 HIS A 43 13.695 -5.729 -2.746 1.00 0.00 N ATOM 0 H HIS A 43 14.053 -1.936 -0.063 1.00 0.00 H new ATOM 0 HA HIS A 43 11.503 -1.734 -1.532 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.257 -3.833 0.503 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.773 -3.733 -0.423 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.373 -5.082 -0.771 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.372 -5.864 -4.420 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.467 -6.321 -3.053 1.00 0.00 H new ATOM 215 N ARG A 44 10.960 -0.181 0.305 1.00 0.00 N ATOM 216 CA ARG A 44 10.429 0.655 1.334 1.00 0.00 C ATOM 217 C ARG A 44 9.100 1.154 0.888 1.00 0.00 C ATOM 218 O ARG A 44 8.855 1.298 -0.308 1.00 0.00 O ATOM 219 CB ARG A 44 11.289 1.889 1.509 1.00 0.00 C ATOM 220 CG ARG A 44 12.753 1.650 1.812 1.00 0.00 C ATOM 221 CD ARG A 44 13.522 2.957 1.728 1.00 0.00 C ATOM 222 NE ARG A 44 13.485 3.507 0.363 1.00 0.00 N ATOM 223 CZ ARG A 44 13.609 4.799 0.032 1.00 0.00 C ATOM 224 NH1 ARG A 44 13.739 5.730 0.972 1.00 0.00 N ATOM 225 NH2 ARG A 44 13.578 5.154 -1.249 1.00 0.00 N ATOM 0 H ARG A 44 10.816 0.181 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 44 10.381 0.078 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.221 2.485 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.866 2.489 2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.861 1.219 2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.166 0.930 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.096 3.678 2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.557 2.794 2.030 1.00 0.00 H new ATOM 0 HE ARG A 44 13.353 2.844 -0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.745 5.463 1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.833 6.711 0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.460 4.444 -1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.672 6.136 -1.508 1.00 0.00 H new ATOM 239 N CYS A 45 8.253 1.389 1.810 1.00 0.00 N ATOM 240 CA CYS A 45 7.032 2.078 1.522 1.00 0.00 C ATOM 241 C CYS A 45 7.290 3.524 1.873 1.00 0.00 C ATOM 242 O CYS A 45 7.525 3.842 3.042 1.00 0.00 O ATOM 243 CB CYS A 45 5.830 1.499 2.316 1.00 0.00 C ATOM 244 SG CYS A 45 4.253 2.451 2.137 1.00 0.00 S ATOM 0 H CYS A 45 8.372 1.117 2.786 1.00 0.00 H new ATOM 0 HA CYS A 45 6.755 1.964 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.658 0.473 1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.096 1.458 3.372 1.00 0.00 H new ATOM 249 N LEU A 46 7.244 4.387 0.892 1.00 0.00 N ATOM 250 CA LEU A 46 7.599 5.795 1.071 1.00 0.00 C ATOM 251 C LEU A 46 6.603 6.498 1.954 1.00 0.00 C ATOM 252 O LEU A 46 6.958 7.383 2.733 1.00 0.00 O ATOM 253 CB LEU A 46 7.682 6.489 -0.285 1.00 0.00 C ATOM 254 CG LEU A 46 8.689 5.928 -1.273 1.00 0.00 C ATOM 255 CD1 LEU A 46 8.658 6.707 -2.580 1.00 0.00 C ATOM 256 CD2 LEU A 46 10.091 5.911 -0.688 1.00 0.00 C ATOM 0 H LEU A 46 6.961 4.147 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 46 8.573 5.841 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.695 6.454 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.918 7.540 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 46 8.406 4.897 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.388 6.286 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.662 6.642 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.901 7.752 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.786 5.504 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.390 6.927 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.104 5.290 0.208 1.00 0.00 H new ATOM 268 N ALA A 47 5.367 6.085 1.843 1.00 0.00 N ATOM 269 CA ALA A 47 4.293 6.646 2.635 1.00 0.00 C ATOM 270 C ALA A 47 4.442 6.292 4.114 1.00 0.00 C ATOM 271 O ALA A 47 3.917 6.984 4.975 1.00 0.00 O ATOM 272 CB ALA A 47 2.949 6.181 2.112 1.00 0.00 C ATOM 0 H ALA A 47 5.072 5.349 1.201 1.00 0.00 H new ATOM 0 HA ALA A 47 4.349 7.731 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.153 6.612 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.830 6.502 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.895 5.094 2.163 1.00 0.00 H new ATOM 278 N CYS A 48 5.163 5.218 4.407 1.00 0.00 N ATOM 279 CA CYS A 48 5.327 4.815 5.787 1.00 0.00 C ATOM 280 C CYS A 48 6.729 5.035 6.317 1.00 0.00 C ATOM 281 O CYS A 48 6.929 5.070 7.518 1.00 0.00 O ATOM 282 CB CYS A 48 4.816 3.393 6.033 1.00 0.00 C ATOM 283 SG CYS A 48 3.113 3.254 5.691 1.00 0.00 S ATOM 0 H CYS A 48 5.632 4.625 3.722 1.00 0.00 H new ATOM 0 HA CYS A 48 4.695 5.482 6.373 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.371 2.693 5.408 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.003 3.113 7.070 1.00 0.00 H new ATOM 288 N ALA A 49 7.687 5.180 5.412 1.00 0.00 N ATOM 289 CA ALA A 49 9.095 5.448 5.749 1.00 0.00 C ATOM 290 C ALA A 49 9.751 4.262 6.494 1.00 0.00 C ATOM 291 O ALA A 49 10.744 4.427 7.212 1.00 0.00 O ATOM 292 CB ALA A 49 9.233 6.750 6.549 1.00 0.00 C ATOM 0 H ALA A 49 7.515 5.116 4.409 1.00 0.00 H new ATOM 0 HA ALA A 49 9.632 5.570 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.283 6.923 6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.852 7.583 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.662 6.671 7.474 1.00 0.00 H new ATOM 298 N ARG A 50 9.231 3.070 6.272 1.00 0.00 N ATOM 299 CA ARG A 50 9.810 1.872 6.862 1.00 0.00 C ATOM 300 C ARG A 50 10.577 1.107 5.830 1.00 0.00 C ATOM 301 O ARG A 50 10.254 1.140 4.631 1.00 0.00 O ATOM 302 CB ARG A 50 8.776 0.914 7.499 1.00 0.00 C ATOM 303 CG ARG A 50 8.282 1.228 8.917 1.00 0.00 C ATOM 304 CD ARG A 50 7.516 2.515 9.045 1.00 0.00 C ATOM 305 NE ARG A 50 7.018 2.695 10.421 1.00 0.00 N ATOM 306 CZ ARG A 50 6.376 3.778 10.881 1.00 0.00 C ATOM 307 NH1 ARG A 50 6.197 4.825 10.101 1.00 0.00 N ATOM 308 NH2 ARG A 50 5.933 3.807 12.135 1.00 0.00 N ATOM 0 H ARG A 50 8.411 2.903 5.689 1.00 0.00 H new ATOM 0 HA ARG A 50 10.458 2.232 7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.906 0.877 6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.210 -0.086 7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.648 0.409 9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.141 1.264 9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.157 3.353 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.678 2.515 8.348 1.00 0.00 H new ATOM 0 HE ARG A 50 7.175 1.931 11.078 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.548 4.813 9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.708 5.647 10.455 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.082 3.005 12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.445 4.631 12.484 1.00 0.00 H new ATOM 322 N TYR A 51 11.576 0.436 6.296 1.00 0.00 N ATOM 323 CA TYR A 51 12.426 -0.374 5.520 1.00 0.00 C ATOM 324 C TYR A 51 12.073 -1.810 5.811 1.00 0.00 C ATOM 325 O TYR A 51 12.089 -2.233 6.971 1.00 0.00 O ATOM 326 CB TYR A 51 13.861 -0.118 5.945 1.00 0.00 C ATOM 327 CG TYR A 51 14.420 1.262 5.635 1.00 0.00 C ATOM 328 CD1 TYR A 51 13.997 2.391 6.328 1.00 0.00 C ATOM 329 CD2 TYR A 51 15.379 1.426 4.649 1.00 0.00 C ATOM 330 CE1 TYR A 51 14.517 3.635 6.045 1.00 0.00 C ATOM 331 CE2 TYR A 51 15.904 2.671 4.364 1.00 0.00 C ATOM 332 CZ TYR A 51 15.468 3.769 5.066 1.00 0.00 C ATOM 333 OH TYR A 51 15.989 5.010 4.785 1.00 0.00 O ATOM 0 H TYR A 51 11.827 0.445 7.285 1.00 0.00 H new ATOM 0 HA TYR A 51 12.315 -0.158 4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.934 -0.283 7.020 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.498 -0.861 5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.249 2.291 7.100 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.722 0.566 4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.177 4.502 6.592 1.00 0.00 H new ATOM 0 HE2 TYR A 51 16.653 2.781 3.594 1.00 0.00 H new ATOM 0 HH TYR A 51 16.652 4.932 4.067 1.00 0.00 H new ATOM 343 N PHE A 52 11.745 -2.549 4.800 1.00 0.00 N ATOM 344 CA PHE A 52 11.343 -3.916 4.989 1.00 0.00 C ATOM 345 C PHE A 52 12.357 -4.814 4.319 1.00 0.00 C ATOM 346 O PHE A 52 12.965 -4.425 3.325 1.00 0.00 O ATOM 347 CB PHE A 52 9.975 -4.170 4.371 1.00 0.00 C ATOM 348 CG PHE A 52 8.836 -3.274 4.843 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.742 -1.963 4.402 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.847 -3.757 5.686 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.699 -1.150 4.787 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.790 -2.944 6.070 1.00 0.00 C ATOM 353 CZ PHE A 52 6.722 -1.635 5.616 1.00 0.00 C ATOM 0 H PHE A 52 11.746 -2.233 3.830 1.00 0.00 H new ATOM 0 HA PHE A 52 11.286 -4.123 6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.065 -4.066 3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.698 -5.206 4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.502 -1.571 3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.900 -4.774 6.047 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.651 -0.130 4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.021 -3.330 6.722 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.901 -1.000 5.915 1.00 0.00 H new ATOM 363 N ILE A 53 12.511 -6.014 4.845 1.00 0.00 N ATOM 364 CA ILE A 53 13.499 -6.975 4.364 1.00 0.00 C ATOM 365 C ILE A 53 13.296 -7.371 2.914 1.00 0.00 C ATOM 366 O ILE A 53 14.260 -7.594 2.182 1.00 0.00 O ATOM 367 CB ILE A 53 13.538 -8.235 5.260 1.00 0.00 C ATOM 368 CG1 ILE A 53 13.917 -7.858 6.688 1.00 0.00 C ATOM 369 CG2 ILE A 53 14.494 -9.303 4.712 1.00 0.00 C ATOM 370 CD1 ILE A 53 15.255 -7.177 6.782 1.00 0.00 C ATOM 0 H ILE A 53 11.951 -6.357 5.626 1.00 0.00 H new ATOM 0 HA ILE A 53 14.460 -6.464 4.422 1.00 0.00 H new ATOM 0 HB ILE A 53 12.538 -8.668 5.260 1.00 0.00 H new ATOM 0 HG12 ILE A 53 13.151 -7.200 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.929 -8.757 7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 53 14.489 -10.170 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 53 14.170 -9.605 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.503 -8.894 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.467 -6.934 7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.029 -7.842 6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 53 15.239 -6.261 6.192 1.00 0.00 H new ATOM 382 N ASP A 54 12.076 -7.432 2.477 1.00 0.00 N ATOM 383 CA ASP A 54 11.840 -7.884 1.127 1.00 0.00 C ATOM 384 C ASP A 54 10.559 -7.274 0.594 1.00 0.00 C ATOM 385 O ASP A 54 9.737 -6.798 1.373 1.00 0.00 O ATOM 386 CB ASP A 54 11.778 -9.426 1.098 1.00 0.00 C ATOM 387 CG ASP A 54 11.644 -9.989 -0.287 1.00 0.00 C ATOM 388 OD1 ASP A 54 12.672 -10.205 -0.954 1.00 0.00 O ATOM 389 OD2 ASP A 54 10.514 -10.193 -0.734 1.00 0.00 O ATOM 0 H ASP A 54 11.244 -7.184 3.012 1.00 0.00 H new ATOM 0 HA ASP A 54 12.660 -7.562 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.680 -9.828 1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.934 -9.760 1.702 1.00 0.00 H new ATOM 394 N SER A 55 10.377 -7.300 -0.718 1.00 0.00 N ATOM 395 CA SER A 55 9.191 -6.760 -1.357 1.00 0.00 C ATOM 396 C SER A 55 7.969 -7.592 -0.981 1.00 0.00 C ATOM 397 O SER A 55 6.853 -7.099 -1.004 1.00 0.00 O ATOM 398 CB SER A 55 9.395 -6.719 -2.877 1.00 0.00 C ATOM 399 OG SER A 55 8.298 -6.125 -3.551 1.00 0.00 O ATOM 0 H SER A 55 11.052 -7.699 -1.370 1.00 0.00 H new ATOM 0 HA SER A 55 9.021 -5.741 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.304 -6.161 -3.105 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.542 -7.733 -3.249 1.00 0.00 H new ATOM 0 HG SER A 55 8.471 -6.119 -4.516 1.00 0.00 H new ATOM 405 N THR A 56 8.191 -8.844 -0.606 1.00 0.00 N ATOM 406 CA THR A 56 7.128 -9.692 -0.134 1.00 0.00 C ATOM 407 C THR A 56 6.568 -9.116 1.184 1.00 0.00 C ATOM 408 O THR A 56 5.369 -9.192 1.453 1.00 0.00 O ATOM 409 CB THR A 56 7.639 -11.115 0.086 1.00 0.00 C ATOM 410 OG1 THR A 56 8.341 -11.552 -1.099 1.00 0.00 O ATOM 411 CG2 THR A 56 6.490 -12.077 0.369 1.00 0.00 C ATOM 0 H THR A 56 9.109 -9.289 -0.623 1.00 0.00 H new ATOM 0 HA THR A 56 6.336 -9.727 -0.882 1.00 0.00 H new ATOM 0 HB THR A 56 8.306 -11.113 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.245 -11.173 -1.102 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.885 -13.081 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.959 -11.756 1.265 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.803 -12.082 -0.477 1.00 0.00 H new ATOM 419 N ASN A 57 7.449 -8.489 1.979 1.00 0.00 N ATOM 420 CA ASN A 57 7.061 -7.846 3.196 1.00 0.00 C ATOM 421 C ASN A 57 6.270 -6.601 2.882 1.00 0.00 C ATOM 422 O ASN A 57 5.271 -6.319 3.525 1.00 0.00 O ATOM 423 CB ASN A 57 8.280 -7.515 4.060 1.00 0.00 C ATOM 424 CG ASN A 57 8.956 -8.725 4.674 1.00 0.00 C ATOM 425 OD1 ASN A 57 9.974 -9.236 4.026 1.00 0.00 O flip ATOM 426 ND2 ASN A 57 8.578 -9.177 5.754 1.00 0.00 N flip ATOM 0 H ASN A 57 8.447 -8.426 1.776 1.00 0.00 H new ATOM 0 HA ASN A 57 6.433 -8.530 3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.007 -6.977 3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.972 -6.841 4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.782 -8.756 6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.061 -9.973 6.171 1.00 0.00 H new ATOM 433 N LEU A 58 6.714 -5.870 1.866 1.00 0.00 N ATOM 434 CA LEU A 58 5.988 -4.700 1.383 1.00 0.00 C ATOM 435 C LEU A 58 4.642 -5.060 0.921 1.00 0.00 C ATOM 436 O LEU A 58 3.677 -4.470 1.333 1.00 0.00 O ATOM 437 CB LEU A 58 6.710 -3.997 0.256 1.00 0.00 C ATOM 438 CG LEU A 58 7.708 -2.956 0.638 1.00 0.00 C ATOM 439 CD1 LEU A 58 7.075 -1.888 1.504 1.00 0.00 C ATOM 440 CD2 LEU A 58 8.899 -3.565 1.276 1.00 0.00 C ATOM 0 H LEU A 58 7.577 -6.068 1.359 1.00 0.00 H new ATOM 0 HA LEU A 58 5.920 -4.021 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.220 -4.752 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.963 -3.531 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 58 8.053 -2.465 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.825 -1.142 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.264 -1.409 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.680 -2.343 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.609 -2.782 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.596 -4.102 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.370 -4.259 0.580 1.00 0.00 H new ATOM 452 N LYS A 59 4.594 -6.009 0.051 1.00 0.00 N ATOM 453 CA LYS A 59 3.329 -6.512 -0.483 1.00 0.00 C ATOM 454 C LYS A 59 2.392 -6.948 0.661 1.00 0.00 C ATOM 455 O LYS A 59 1.201 -6.666 0.630 1.00 0.00 O ATOM 456 CB LYS A 59 3.559 -7.663 -1.464 1.00 0.00 C ATOM 457 CG LYS A 59 2.299 -8.091 -2.194 1.00 0.00 C ATOM 458 CD LYS A 59 2.563 -9.225 -3.157 1.00 0.00 C ATOM 459 CE LYS A 59 1.317 -9.558 -3.955 1.00 0.00 C ATOM 460 NZ LYS A 59 1.524 -10.698 -4.862 1.00 0.00 N ATOM 0 H LYS A 59 5.420 -6.474 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 59 2.850 -5.700 -1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.310 -7.363 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.965 -8.517 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.546 -8.399 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.888 -7.241 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.371 -8.951 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.893 -10.106 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.499 -9.785 -3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.015 -8.685 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.646 -10.889 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.286 -10.474 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.786 -11.539 -4.309 1.00 0.00 H new ATOM 474 N THR A 60 2.952 -7.609 1.675 1.00 0.00 N ATOM 475 CA THR A 60 2.196 -7.975 2.863 1.00 0.00 C ATOM 476 C THR A 60 1.713 -6.701 3.598 1.00 0.00 C ATOM 477 O THR A 60 0.576 -6.623 4.071 1.00 0.00 O ATOM 478 CB THR A 60 3.043 -8.853 3.797 1.00 0.00 C ATOM 479 OG1 THR A 60 3.465 -10.042 3.083 1.00 0.00 O ATOM 480 CG2 THR A 60 2.266 -9.257 5.045 1.00 0.00 C ATOM 0 H THR A 60 3.929 -7.900 1.693 1.00 0.00 H new ATOM 0 HA THR A 60 1.324 -8.553 2.557 1.00 0.00 H new ATOM 0 HB THR A 60 3.910 -8.274 4.115 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.082 -9.790 2.364 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.897 -9.877 5.682 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.966 -8.363 5.592 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.379 -9.820 4.755 1.00 0.00 H new ATOM 488 N HIS A 61 2.582 -5.707 3.658 1.00 0.00 N ATOM 489 CA HIS A 61 2.259 -4.402 4.218 1.00 0.00 C ATOM 490 C HIS A 61 1.170 -3.688 3.407 1.00 0.00 C ATOM 491 O HIS A 61 0.297 -3.035 3.971 1.00 0.00 O ATOM 492 CB HIS A 61 3.538 -3.516 4.351 1.00 0.00 C ATOM 493 CG HIS A 61 3.253 -2.052 4.582 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.593 -1.579 5.680 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.450 -0.973 3.780 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.394 -0.300 5.536 1.00 0.00 C ATOM 497 NE2 HIS A 61 2.894 0.089 4.424 1.00 0.00 N ATOM 0 H HIS A 61 3.540 -5.782 3.317 1.00 0.00 H new ATOM 0 HA HIS A 61 1.859 -4.567 5.218 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.143 -3.892 5.176 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.135 -3.620 3.445 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.303 -2.137 6.483 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.949 -0.961 2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.885 0.335 6.246 1.00 0.00 H new ATOM 505 N PHE A 62 1.214 -3.816 2.102 1.00 0.00 N ATOM 506 CA PHE A 62 0.243 -3.146 1.280 1.00 0.00 C ATOM 507 C PHE A 62 -1.014 -3.990 1.120 1.00 0.00 C ATOM 508 O PHE A 62 -1.833 -3.711 0.260 1.00 0.00 O ATOM 509 CB PHE A 62 0.760 -2.776 -0.115 1.00 0.00 C ATOM 510 CG PHE A 62 2.046 -2.015 -0.196 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.186 -0.786 0.407 1.00 0.00 C ATOM 512 CD2 PHE A 62 3.102 -2.523 -0.925 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.364 -0.084 0.293 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.281 -1.830 -1.041 1.00 0.00 C ATOM 515 CZ PHE A 62 4.417 -0.610 -0.434 1.00 0.00 C ATOM 0 H PHE A 62 1.903 -4.371 1.595 1.00 0.00 H new ATOM 0 HA PHE A 62 0.020 -2.219 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.878 -3.697 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.010 -2.189 -0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.366 -0.370 0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.999 -3.481 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.467 0.879 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.100 -2.246 -1.610 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.343 -0.061 -0.522 1.00 0.00 H new ATOM 525 N ARG A 63 -1.186 -5.024 1.942 1.00 0.00 N ATOM 526 CA ARG A 63 -2.435 -5.761 1.904 1.00 0.00 C ATOM 527 C ARG A 63 -3.534 -4.900 2.477 1.00 0.00 C ATOM 528 O ARG A 63 -4.717 -5.172 2.301 1.00 0.00 O ATOM 529 CB ARG A 63 -2.371 -7.112 2.613 1.00 0.00 C ATOM 530 CG ARG A 63 -1.394 -8.107 2.007 1.00 0.00 C ATOM 531 CD ARG A 63 -1.612 -8.292 0.506 1.00 0.00 C ATOM 532 NE ARG A 63 -2.997 -8.631 0.159 1.00 0.00 N ATOM 533 CZ ARG A 63 -3.384 -9.172 -0.995 1.00 0.00 C ATOM 534 NH1 ARG A 63 -2.478 -9.596 -1.878 1.00 0.00 N ATOM 535 NH2 ARG A 63 -4.677 -9.319 -1.246 1.00 0.00 N ATOM 0 H ARG A 63 -0.499 -5.357 2.618 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.645 -5.994 0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.099 -6.946 3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.367 -7.555 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.374 -7.766 2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.500 -9.069 2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.329 -7.375 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.951 -9.079 0.144 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.718 -8.438 0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.483 -9.507 -1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.780 -10.010 -2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.367 -9.019 -0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.982 -9.732 -2.127 1.00 0.00 H new ATOM 549 N SER A 64 -3.121 -3.864 3.180 1.00 0.00 N ATOM 550 CA SER A 64 -4.002 -2.865 3.646 1.00 0.00 C ATOM 551 C SER A 64 -4.456 -2.041 2.433 1.00 0.00 C ATOM 552 O SER A 64 -3.730 -1.158 1.935 1.00 0.00 O ATOM 553 CB SER A 64 -3.281 -2.009 4.674 1.00 0.00 C ATOM 554 OG SER A 64 -2.775 -2.832 5.719 1.00 0.00 O ATOM 0 H SER A 64 -2.146 -3.710 3.436 1.00 0.00 H new ATOM 0 HA SER A 64 -4.879 -3.293 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.464 -1.465 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.964 -1.264 5.084 1.00 0.00 H new ATOM 0 HG SER A 64 -2.310 -2.275 6.378 1.00 0.00 H new ATOM 560 N LYS A 65 -5.623 -2.378 1.938 1.00 0.00 N ATOM 561 CA LYS A 65 -6.147 -1.817 0.726 1.00 0.00 C ATOM 562 C LYS A 65 -6.499 -0.348 0.887 1.00 0.00 C ATOM 563 O LYS A 65 -6.313 0.440 -0.034 1.00 0.00 O ATOM 564 CB LYS A 65 -7.315 -2.640 0.272 1.00 0.00 C ATOM 565 CG LYS A 65 -7.914 -2.263 -1.066 1.00 0.00 C ATOM 566 CD LYS A 65 -9.011 -3.242 -1.432 1.00 0.00 C ATOM 567 CE LYS A 65 -9.627 -2.929 -2.774 1.00 0.00 C ATOM 568 NZ LYS A 65 -10.678 -3.904 -3.123 1.00 0.00 N ATOM 0 H LYS A 65 -6.241 -3.061 2.376 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.378 -1.849 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.003 -3.683 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.097 -2.574 1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.317 -1.251 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.141 -2.265 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.604 -4.253 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.785 -3.222 -0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.051 -1.925 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.853 -2.935 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.082 -3.662 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.267 -4.858 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.427 -3.880 -2.402 1.00 0.00 H new ATOM 582 N ASP A 66 -6.962 0.018 2.082 1.00 0.00 N ATOM 583 CA ASP A 66 -7.301 1.420 2.427 1.00 0.00 C ATOM 584 C ASP A 66 -6.071 2.300 2.269 1.00 0.00 C ATOM 585 O ASP A 66 -6.153 3.469 1.895 1.00 0.00 O ATOM 586 CB ASP A 66 -7.796 1.482 3.877 1.00 0.00 C ATOM 587 CG ASP A 66 -8.237 2.868 4.332 1.00 0.00 C ATOM 588 OD1 ASP A 66 -9.427 3.216 4.141 1.00 0.00 O ATOM 589 OD2 ASP A 66 -7.417 3.609 4.910 1.00 0.00 O ATOM 0 H ASP A 66 -7.117 -0.640 2.846 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.085 1.778 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.632 0.792 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.000 1.133 4.535 1.00 0.00 H new ATOM 594 N HIS A 67 -4.931 1.702 2.525 1.00 0.00 N ATOM 595 CA HIS A 67 -3.643 2.371 2.424 1.00 0.00 C ATOM 596 C HIS A 67 -3.318 2.670 1.003 1.00 0.00 C ATOM 597 O HIS A 67 -3.058 3.808 0.650 1.00 0.00 O ATOM 598 CB HIS A 67 -2.547 1.499 3.032 1.00 0.00 C ATOM 599 CG HIS A 67 -1.202 2.049 3.055 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.957 3.304 3.553 1.00 0.00 N ATOM 601 CD2 HIS A 67 -0.046 1.408 2.980 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.290 3.409 3.828 1.00 0.00 C ATOM 603 NE2 HIS A 67 0.888 2.286 3.502 1.00 0.00 N ATOM 0 H HIS A 67 -4.865 0.726 2.813 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.701 3.310 2.975 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.833 1.261 4.057 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.519 0.558 2.482 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.655 4.036 3.683 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.130 0.415 2.595 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.770 4.277 4.257 1.00 0.00 H new ATOM 611 N LYS A 68 -3.339 1.654 0.189 1.00 0.00 N ATOM 612 CA LYS A 68 -3.021 1.814 -1.210 1.00 0.00 C ATOM 613 C LYS A 68 -4.032 2.736 -1.863 1.00 0.00 C ATOM 614 O LYS A 68 -3.706 3.489 -2.768 1.00 0.00 O ATOM 615 CB LYS A 68 -2.983 0.478 -1.901 1.00 0.00 C ATOM 616 CG LYS A 68 -1.977 -0.511 -1.312 1.00 0.00 C ATOM 617 CD LYS A 68 -1.978 -1.814 -2.134 1.00 0.00 C ATOM 618 CE LYS A 68 -1.598 -1.593 -3.606 1.00 0.00 C ATOM 619 NZ LYS A 68 -0.242 -1.012 -3.772 1.00 0.00 N ATOM 0 H LYS A 68 -3.573 0.701 0.466 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.032 2.262 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.977 0.033 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.747 0.634 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.979 -0.072 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.230 -0.726 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.280 -2.521 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.967 -2.268 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.647 -2.545 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.330 -0.932 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.020 -0.932 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.213 -0.068 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.458 -1.628 -3.312 1.00 0.00 H new ATOM 633 N LYS A 69 -5.250 2.671 -1.371 1.00 0.00 N ATOM 634 CA LYS A 69 -6.303 3.563 -1.764 1.00 0.00 C ATOM 635 C LYS A 69 -5.925 5.009 -1.468 1.00 0.00 C ATOM 636 O LYS A 69 -6.036 5.865 -2.339 1.00 0.00 O ATOM 637 CB LYS A 69 -7.569 3.219 -1.008 1.00 0.00 C ATOM 638 CG LYS A 69 -8.664 4.238 -1.166 1.00 0.00 C ATOM 639 CD LYS A 69 -9.840 3.885 -0.283 1.00 0.00 C ATOM 640 CE LYS A 69 -10.946 4.912 -0.354 1.00 0.00 C ATOM 641 NZ LYS A 69 -12.038 4.579 0.586 1.00 0.00 N ATOM 0 H LYS A 69 -5.535 1.982 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.465 3.452 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.934 2.251 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.332 3.114 0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.289 5.228 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.982 4.281 -2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.233 2.912 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.501 3.792 0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.547 5.899 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.338 4.960 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.786 5.299 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.432 3.647 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.666 4.556 1.557 1.00 0.00 H new ATOM 655 N ARG A 70 -5.458 5.274 -0.239 1.00 0.00 N ATOM 656 CA ARG A 70 -5.115 6.631 0.177 1.00 0.00 C ATOM 657 C ARG A 70 -4.011 7.187 -0.726 1.00 0.00 C ATOM 658 O ARG A 70 -4.036 8.350 -1.128 1.00 0.00 O ATOM 659 CB ARG A 70 -4.662 6.636 1.644 1.00 0.00 C ATOM 660 CG ARG A 70 -4.450 8.021 2.239 1.00 0.00 C ATOM 661 CD ARG A 70 -5.746 8.817 2.233 1.00 0.00 C ATOM 662 NE ARG A 70 -5.605 10.111 2.901 1.00 0.00 N ATOM 663 CZ ARG A 70 -6.607 10.977 3.127 1.00 0.00 C ATOM 664 NH1 ARG A 70 -7.835 10.737 2.658 1.00 0.00 N ATOM 665 NH2 ARG A 70 -6.374 12.079 3.818 1.00 0.00 N ATOM 0 H ARG A 70 -5.311 4.564 0.479 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.996 7.266 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.406 6.109 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.731 6.074 1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.079 7.930 3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.688 8.554 1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.068 8.975 1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.527 8.239 2.726 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.673 10.376 3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.020 9.889 2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.588 11.402 2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.438 12.268 4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.130 12.741 3.993 1.00 0.00 H new ATOM 679 N LEU A 71 -3.090 6.323 -1.075 1.00 0.00 N ATOM 680 CA LEU A 71 -1.980 6.649 -1.936 1.00 0.00 C ATOM 681 C LEU A 71 -2.430 6.831 -3.366 1.00 0.00 C ATOM 682 O LEU A 71 -1.897 7.665 -4.094 1.00 0.00 O ATOM 683 CB LEU A 71 -0.906 5.571 -1.845 1.00 0.00 C ATOM 684 CG LEU A 71 0.083 5.665 -0.678 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.591 5.575 0.680 1.00 0.00 C ATOM 686 CD2 LEU A 71 1.184 4.630 -0.815 1.00 0.00 C ATOM 0 H LEU A 71 -3.091 5.352 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.557 7.595 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.403 4.603 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.335 5.583 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 71 0.532 6.657 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.162 5.648 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.306 6.391 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.113 4.622 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.872 4.718 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.746 3.632 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.725 4.796 -1.746 1.00 0.00 H new ATOM 698 N LYS A 72 -3.413 6.075 -3.759 1.00 0.00 N ATOM 699 CA LYS A 72 -3.942 6.163 -5.097 1.00 0.00 C ATOM 700 C LYS A 72 -4.777 7.438 -5.247 1.00 0.00 C ATOM 701 O LYS A 72 -4.939 7.966 -6.328 1.00 0.00 O ATOM 702 CB LYS A 72 -4.739 4.924 -5.482 1.00 0.00 C ATOM 703 CG LYS A 72 -4.918 4.794 -6.980 1.00 0.00 C ATOM 704 CD LYS A 72 -5.735 3.585 -7.356 1.00 0.00 C ATOM 705 CE LYS A 72 -5.702 3.360 -8.860 1.00 0.00 C ATOM 706 NZ LYS A 72 -6.132 4.553 -9.618 1.00 0.00 N ATOM 0 H LYS A 72 -3.872 5.382 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.101 6.214 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.233 4.037 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.718 4.962 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.403 5.691 -7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.940 4.731 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.348 2.705 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.765 3.719 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.691 3.086 -9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.348 2.520 -9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.190 4.319 -10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.066 4.861 -9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.443 5.320 -9.479 1.00 0.00 H new ATOM 720 N GLN A 73 -5.333 7.910 -4.147 1.00 0.00 N ATOM 721 CA GLN A 73 -6.043 9.179 -4.170 1.00 0.00 C ATOM 722 C GLN A 73 -5.034 10.320 -4.335 1.00 0.00 C ATOM 723 O GLN A 73 -5.324 11.359 -4.937 1.00 0.00 O ATOM 724 CB GLN A 73 -6.876 9.379 -2.907 1.00 0.00 C ATOM 725 CG GLN A 73 -7.932 8.304 -2.672 1.00 0.00 C ATOM 726 CD GLN A 73 -8.923 8.153 -3.819 1.00 0.00 C ATOM 727 OE1 GLN A 73 -9.969 8.817 -3.849 1.00 0.00 O ATOM 728 NE2 GLN A 73 -8.622 7.279 -4.752 1.00 0.00 N ATOM 0 H GLN A 73 -5.309 7.445 -3.240 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.733 9.175 -5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.208 9.409 -2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.369 10.350 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.434 7.349 -2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.480 8.540 -1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.752 6.750 -4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.259 7.129 -5.535 1.00 0.00 H new ATOM 737 N LEU A 74 -3.842 10.099 -3.808 1.00 0.00 N ATOM 738 CA LEU A 74 -2.751 11.013 -3.908 1.00 0.00 C ATOM 739 C LEU A 74 -2.109 10.944 -5.299 1.00 0.00 C ATOM 740 O LEU A 74 -1.630 11.947 -5.834 1.00 0.00 O ATOM 741 CB LEU A 74 -1.738 10.654 -2.842 1.00 0.00 C ATOM 742 CG LEU A 74 -2.158 10.852 -1.382 1.00 0.00 C ATOM 743 CD1 LEU A 74 -1.042 10.413 -0.449 1.00 0.00 C ATOM 744 CD2 LEU A 74 -2.534 12.305 -1.115 1.00 0.00 C ATOM 0 H LEU A 74 -3.615 9.252 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.108 12.032 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.463 9.608 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.839 11.244 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.037 10.235 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.354 10.559 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.822 9.359 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.149 11.006 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.828 12.419 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.678 12.946 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.365 12.590 -1.760 1.00 0.00 H new ATOM 756 N SER A 75 -2.131 9.779 -5.875 1.00 0.00 N ATOM 757 CA SER A 75 -1.567 9.540 -7.179 1.00 0.00 C ATOM 758 C SER A 75 -2.465 8.594 -7.953 1.00 0.00 C ATOM 759 O SER A 75 -2.486 7.392 -7.677 1.00 0.00 O ATOM 760 CB SER A 75 -0.120 9.002 -7.042 1.00 0.00 C ATOM 761 OG SER A 75 -0.048 7.882 -6.148 1.00 0.00 O ATOM 0 H SER A 75 -2.547 8.951 -5.448 1.00 0.00 H new ATOM 0 HA SER A 75 -1.509 10.473 -7.739 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.252 8.708 -8.023 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.531 9.798 -6.680 1.00 0.00 H new ATOM 0 HG SER A 75 -0.818 7.897 -5.542 1.00 0.00 H new ATOM 767 N VAL A 76 -3.247 9.154 -8.884 1.00 0.00 N ATOM 768 CA VAL A 76 -4.238 8.383 -9.650 1.00 0.00 C ATOM 769 C VAL A 76 -3.594 7.169 -10.323 1.00 0.00 C ATOM 770 O VAL A 76 -3.801 6.030 -9.891 1.00 0.00 O ATOM 771 CB VAL A 76 -4.965 9.256 -10.702 1.00 0.00 C ATOM 772 CG1 VAL A 76 -6.032 8.456 -11.430 1.00 0.00 C ATOM 773 CG2 VAL A 76 -5.578 10.490 -10.053 1.00 0.00 C ATOM 0 H VAL A 76 -3.213 10.144 -9.127 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.983 8.032 -8.936 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.225 9.583 -11.432 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.527 9.093 -12.163 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.569 7.610 -11.938 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.766 8.091 -10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.083 11.087 -10.812 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.298 10.183 -9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.792 11.084 -9.587 1.00 0.00 H new ATOM 783 N GLU A 77 -2.830 7.406 -11.360 1.00 0.00 N ATOM 784 CA GLU A 77 -2.072 6.364 -11.990 1.00 0.00 C ATOM 785 C GLU A 77 -0.608 6.761 -11.913 1.00 0.00 C ATOM 786 O GLU A 77 -0.212 7.762 -12.496 1.00 0.00 O ATOM 787 CB GLU A 77 -2.485 6.159 -13.457 1.00 0.00 C ATOM 788 CG GLU A 77 -3.963 5.836 -13.687 1.00 0.00 C ATOM 789 CD GLU A 77 -4.453 4.634 -12.903 1.00 0.00 C ATOM 790 OE1 GLU A 77 -3.894 3.524 -13.069 1.00 0.00 O ATOM 791 OE2 GLU A 77 -5.437 4.768 -12.144 1.00 0.00 O ATOM 0 H GLU A 77 -2.719 8.325 -11.787 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.256 5.420 -11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.237 7.062 -14.015 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.885 5.351 -13.875 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.562 6.705 -13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.126 5.656 -14.750 1.00 0.00 H new ATOM 798 N PRO A 78 0.208 6.025 -11.159 1.00 0.00 N ATOM 799 CA PRO A 78 1.634 6.337 -10.970 1.00 0.00 C ATOM 800 C PRO A 78 2.516 5.560 -11.949 1.00 0.00 C ATOM 801 O PRO A 78 3.627 5.139 -11.597 1.00 0.00 O ATOM 802 CB PRO A 78 1.850 5.820 -9.557 1.00 0.00 C ATOM 803 CG PRO A 78 1.016 4.577 -9.492 1.00 0.00 C ATOM 804 CD PRO A 78 -0.184 4.826 -10.381 1.00 0.00 C ATOM 0 HA PRO A 78 1.882 7.386 -11.130 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.902 5.605 -9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.535 6.551 -8.812 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.581 3.711 -9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.705 4.370 -8.468 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.387 3.974 -11.030 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.087 5.004 -9.797 1.00 0.00 H new ATOM 812 N TYR A 79 2.048 5.471 -13.177 1.00 0.00 N ATOM 813 CA TYR A 79 2.642 4.640 -14.215 1.00 0.00 C ATOM 814 C TYR A 79 2.398 3.192 -13.983 1.00 0.00 C ATOM 815 O TYR A 79 3.050 2.546 -13.169 1.00 0.00 O ATOM 816 CB TYR A 79 4.121 4.941 -14.549 1.00 0.00 C ATOM 817 CG TYR A 79 4.307 6.144 -15.435 1.00 0.00 C ATOM 818 CD1 TYR A 79 4.133 6.021 -16.801 1.00 0.00 C ATOM 819 CD2 TYR A 79 4.644 7.387 -14.927 1.00 0.00 C ATOM 820 CE1 TYR A 79 4.286 7.090 -17.640 1.00 0.00 C ATOM 821 CE2 TYR A 79 4.799 8.479 -15.770 1.00 0.00 C ATOM 822 CZ TYR A 79 4.616 8.315 -17.128 1.00 0.00 C ATOM 823 OH TYR A 79 4.768 9.391 -17.985 1.00 0.00 O ATOM 0 H TYR A 79 1.225 5.985 -13.493 1.00 0.00 H new ATOM 0 HA TYR A 79 2.108 4.929 -15.120 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.670 5.096 -13.620 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.559 4.070 -15.037 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.870 5.059 -17.215 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.788 7.508 -13.864 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.147 6.968 -18.704 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.060 9.447 -15.367 1.00 0.00 H new ATOM 0 HH TYR A 79 5.001 10.190 -17.468 1.00 0.00 H new ATOM 833 N SER A 80 1.446 2.690 -14.686 1.00 0.00 N ATOM 834 CA SER A 80 1.096 1.353 -14.626 1.00 0.00 C ATOM 835 C SER A 80 1.757 0.719 -15.817 1.00 0.00 C ATOM 836 O SER A 80 2.174 1.431 -16.765 1.00 0.00 O ATOM 837 CB SER A 80 -0.441 1.236 -14.711 1.00 0.00 C ATOM 838 OG SER A 80 -0.893 -0.101 -14.520 1.00 0.00 O ATOM 0 H SER A 80 0.881 3.236 -15.336 1.00 0.00 H new ATOM 0 HA SER A 80 1.410 0.867 -13.702 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.894 1.881 -13.959 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.777 1.595 -15.684 1.00 0.00 H new ATOM 0 HG SER A 80 -1.871 -0.128 -14.580 1.00 0.00 H new ATOM 844 N GLN A 81 1.885 -0.551 -15.805 1.00 0.00 N ATOM 845 CA GLN A 81 2.500 -1.220 -16.912 1.00 0.00 C ATOM 846 C GLN A 81 1.497 -1.422 -18.035 1.00 0.00 C ATOM 847 O GLN A 81 0.947 -2.498 -18.239 1.00 0.00 O ATOM 848 CB GLN A 81 3.260 -2.500 -16.523 1.00 0.00 C ATOM 849 CG GLN A 81 4.005 -3.152 -17.686 1.00 0.00 C ATOM 850 CD GLN A 81 4.856 -4.327 -17.262 1.00 0.00 C ATOM 851 OE1 GLN A 81 4.401 -5.466 -17.231 1.00 0.00 O ATOM 852 NE2 GLN A 81 6.097 -4.058 -16.933 1.00 0.00 N ATOM 0 H GLN A 81 1.576 -1.160 -15.047 1.00 0.00 H new ATOM 0 HA GLN A 81 3.285 -0.564 -17.289 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.974 -2.262 -15.734 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.554 -3.219 -16.108 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.283 -3.485 -18.431 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.639 -2.407 -18.167 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.438 -3.098 -16.972 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.721 -4.809 -16.638 1.00 0.00 H new ATOM 861 N GLU A 82 1.204 -0.317 -18.658 1.00 0.00 N ATOM 862 CA GLU A 82 0.346 -0.203 -19.797 1.00 0.00 C ATOM 863 C GLU A 82 0.882 0.950 -20.588 1.00 0.00 C ATOM 864 O GLU A 82 1.021 0.880 -21.806 1.00 0.00 O ATOM 865 CB GLU A 82 -1.111 0.038 -19.386 1.00 0.00 C ATOM 866 CG GLU A 82 -2.086 0.104 -20.560 1.00 0.00 C ATOM 867 CD GLU A 82 -2.122 -1.176 -21.373 1.00 0.00 C ATOM 868 OE1 GLU A 82 -1.326 -1.320 -22.324 1.00 0.00 O ATOM 869 OE2 GLU A 82 -2.955 -2.055 -21.077 1.00 0.00 O ATOM 0 H GLU A 82 1.583 0.583 -18.364 1.00 0.00 H new ATOM 0 HA GLU A 82 0.338 -1.124 -20.380 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.424 -0.759 -18.712 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.170 0.971 -18.825 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.086 0.317 -20.183 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.808 0.933 -21.210 1.00 0.00 H new ATOM 876 N GLU A 83 1.182 2.031 -19.872 1.00 0.00 N ATOM 877 CA GLU A 83 1.928 3.129 -20.446 1.00 0.00 C ATOM 878 C GLU A 83 3.287 2.562 -20.795 1.00 0.00 C ATOM 879 O GLU A 83 3.586 2.323 -21.970 1.00 0.00 O ATOM 880 CB GLU A 83 2.114 4.329 -19.465 1.00 0.00 C ATOM 881 CG GLU A 83 0.845 5.000 -18.931 1.00 0.00 C ATOM 882 CD GLU A 83 0.099 4.193 -17.896 1.00 0.00 C ATOM 883 OE1 GLU A 83 -0.698 3.315 -18.280 1.00 0.00 O ATOM 884 OE2 GLU A 83 0.282 4.446 -16.684 1.00 0.00 O ATOM 0 H GLU A 83 0.917 2.163 -18.896 1.00 0.00 H new ATOM 0 HA GLU A 83 1.386 3.524 -21.305 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.696 3.981 -18.612 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.711 5.089 -19.970 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.113 5.964 -18.498 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.176 5.202 -19.768 1.00 0.00 H new ATOM 891 N ALA A 84 4.082 2.308 -19.732 1.00 0.00 N ATOM 892 CA ALA A 84 5.371 1.611 -19.790 1.00 0.00 C ATOM 893 C ALA A 84 6.295 2.099 -20.915 1.00 0.00 C ATOM 894 O ALA A 84 6.119 3.194 -21.473 1.00 0.00 O ATOM 895 CB ALA A 84 5.116 0.112 -19.913 1.00 0.00 C ATOM 0 H ALA A 84 3.830 2.594 -18.786 1.00 0.00 H new ATOM 0 HA ALA A 84 5.902 1.837 -18.865 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.068 -0.417 -19.957 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.549 -0.233 -19.048 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.548 -0.087 -20.822 1.00 0.00 H new ATOM 901 N GLU A 85 7.307 1.312 -21.193 1.00 0.00 N ATOM 902 CA GLU A 85 8.195 1.569 -22.279 1.00 0.00 C ATOM 903 C GLU A 85 7.756 0.695 -23.459 1.00 0.00 C ATOM 904 O GLU A 85 8.051 0.987 -24.618 1.00 0.00 O ATOM 905 CB GLU A 85 9.629 1.277 -21.836 1.00 0.00 C ATOM 906 CG GLU A 85 10.701 1.591 -22.854 1.00 0.00 C ATOM 907 CD GLU A 85 12.074 1.466 -22.259 1.00 0.00 C ATOM 908 OE1 GLU A 85 12.557 2.452 -21.665 1.00 0.00 O ATOM 909 OE2 GLU A 85 12.688 0.387 -22.348 1.00 0.00 O ATOM 0 H GLU A 85 7.531 0.471 -20.662 1.00 0.00 H new ATOM 0 HA GLU A 85 8.163 2.613 -22.591 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.834 1.848 -20.930 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.701 0.222 -21.571 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.608 0.914 -23.703 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.558 2.602 -23.235 1.00 0.00 H new ATOM 916 N ARG A 86 7.023 -0.383 -23.124 1.00 0.00 N ATOM 917 CA ARG A 86 6.418 -1.309 -24.096 1.00 0.00 C ATOM 918 C ARG A 86 7.454 -2.118 -24.866 1.00 0.00 C ATOM 919 O ARG A 86 7.167 -2.697 -25.922 1.00 0.00 O ATOM 920 CB ARG A 86 5.416 -0.588 -25.023 1.00 0.00 C ATOM 921 CG ARG A 86 4.207 -0.030 -24.274 1.00 0.00 C ATOM 922 CD ARG A 86 3.178 0.590 -25.207 1.00 0.00 C ATOM 923 NE ARG A 86 1.993 1.063 -24.467 1.00 0.00 N ATOM 924 CZ ARG A 86 0.849 1.496 -25.022 1.00 0.00 C ATOM 925 NH1 ARG A 86 0.722 1.559 -26.345 1.00 0.00 N ATOM 926 NH2 ARG A 86 -0.162 1.867 -24.243 1.00 0.00 N ATOM 0 H ARG A 86 6.832 -0.638 -22.155 1.00 0.00 H new ATOM 0 HA ARG A 86 5.848 -2.038 -23.521 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.926 0.227 -25.537 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.073 -1.283 -25.789 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.738 -0.830 -23.701 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.542 0.720 -23.558 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.629 1.424 -25.745 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.873 -0.144 -25.953 1.00 0.00 H new ATOM 0 HE ARG A 86 2.047 1.061 -23.448 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.497 1.277 -26.946 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.150 1.889 -26.758 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.067 1.822 -23.228 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.033 2.197 -24.660 1.00 0.00 H new ATOM 940 N ALA A 87 8.630 -2.199 -24.298 1.00 0.00 N ATOM 941 CA ALA A 87 9.713 -2.960 -24.838 1.00 0.00 C ATOM 942 C ALA A 87 10.611 -3.381 -23.698 1.00 0.00 C ATOM 943 O ALA A 87 11.552 -2.681 -23.343 1.00 0.00 O ATOM 944 CB ALA A 87 10.492 -2.171 -25.894 1.00 0.00 C ATOM 0 H ALA A 87 8.860 -1.723 -23.426 1.00 0.00 H new ATOM 0 HA ALA A 87 9.318 -3.840 -25.345 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.306 -2.785 -26.279 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.824 -1.900 -26.711 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.901 -1.266 -25.444 1.00 0.00 H new ATOM 950 N ALA A 88 10.255 -4.466 -23.069 1.00 0.00 N ATOM 951 CA ALA A 88 11.017 -4.985 -21.949 1.00 0.00 C ATOM 952 C ALA A 88 11.216 -6.493 -22.059 1.00 0.00 C ATOM 953 O ALA A 88 11.941 -7.090 -21.262 1.00 0.00 O ATOM 954 CB ALA A 88 10.329 -4.633 -20.632 1.00 0.00 C ATOM 0 H ALA A 88 9.433 -5.019 -23.311 1.00 0.00 H new ATOM 0 HA ALA A 88 12.002 -4.518 -21.970 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.912 -5.029 -19.800 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.253 -3.550 -20.539 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.330 -5.069 -20.615 1.00 0.00 H new ATOM 960 N GLY A 89 10.578 -7.100 -23.036 1.00 0.00 N ATOM 961 CA GLY A 89 10.693 -8.521 -23.216 1.00 0.00 C ATOM 962 C GLY A 89 10.444 -8.921 -24.643 1.00 0.00 C ATOM 963 O GLY A 89 9.801 -9.943 -24.914 1.00 0.00 O ATOM 0 H GLY A 89 9.978 -6.629 -23.713 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.689 -8.847 -22.915 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.981 -9.029 -22.566 1.00 0.00 H new ATOM 967 N MET A 90 10.945 -8.132 -25.558 1.00 0.00 N ATOM 968 CA MET A 90 10.784 -8.401 -26.967 1.00 0.00 C ATOM 969 C MET A 90 12.143 -8.754 -27.549 1.00 0.00 C ATOM 970 O MET A 90 13.101 -7.996 -27.399 1.00 0.00 O ATOM 971 CB MET A 90 10.161 -7.169 -27.682 1.00 0.00 C ATOM 972 CG MET A 90 9.752 -7.375 -29.163 1.00 0.00 C ATOM 973 SD MET A 90 11.128 -7.656 -30.325 1.00 0.00 S ATOM 974 CE MET A 90 12.000 -6.087 -30.206 1.00 0.00 C ATOM 0 H MET A 90 11.475 -7.286 -25.350 1.00 0.00 H new ATOM 0 HA MET A 90 10.104 -9.240 -27.117 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.279 -6.857 -27.123 1.00 0.00 H new ATOM 0 HB3 MET A 90 10.875 -6.347 -27.634 1.00 0.00 H new ATOM 0 HG2 MET A 90 9.073 -8.225 -29.219 1.00 0.00 H new ATOM 0 HG3 MET A 90 9.194 -6.499 -29.493 1.00 0.00 H new ATOM 0 HE1 MET A 90 12.724 -6.011 -31.017 1.00 0.00 H new ATOM 0 HE2 MET A 90 11.285 -5.267 -30.279 1.00 0.00 H new ATOM 0 HE3 MET A 90 12.520 -6.031 -29.250 1.00 0.00 H new ATOM 984 N GLY A 91 12.233 -9.900 -28.181 1.00 0.00 N ATOM 985 CA GLY A 91 13.481 -10.331 -28.759 1.00 0.00 C ATOM 986 C GLY A 91 13.264 -11.271 -29.920 1.00 0.00 C ATOM 987 O GLY A 91 13.863 -12.349 -29.985 1.00 0.00 O ATOM 0 H GLY A 91 11.457 -10.550 -28.307 1.00 0.00 H new ATOM 0 HA2 GLY A 91 14.046 -9.461 -29.096 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.083 -10.827 -27.997 1.00 0.00 H new ATOM 991 N SER A 92 12.407 -10.883 -30.823 1.00 0.00 N ATOM 992 CA SER A 92 12.107 -11.700 -31.975 1.00 0.00 C ATOM 993 C SER A 92 12.983 -11.297 -33.155 1.00 0.00 C ATOM 994 O SER A 92 13.037 -10.115 -33.506 1.00 0.00 O ATOM 995 CB SER A 92 10.633 -11.562 -32.337 1.00 0.00 C ATOM 996 OG SER A 92 9.803 -11.930 -31.235 1.00 0.00 O ATOM 0 H SER A 92 11.898 -10.000 -30.786 1.00 0.00 H new ATOM 0 HA SER A 92 12.316 -12.742 -31.733 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.421 -10.534 -32.630 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.405 -12.192 -33.196 1.00 0.00 H new ATOM 0 HG SER A 92 8.861 -11.833 -31.488 1.00 0.00 H new ATOM 1002 N TYR A 93 13.671 -12.292 -33.742 1.00 0.00 N ATOM 1003 CA TYR A 93 14.545 -12.132 -34.905 1.00 0.00 C ATOM 1004 C TYR A 93 15.792 -11.264 -34.626 1.00 0.00 C ATOM 1005 O TYR A 93 15.727 -10.235 -33.946 1.00 0.00 O ATOM 1006 CB TYR A 93 13.735 -11.630 -36.109 1.00 0.00 C ATOM 1007 CG TYR A 93 14.540 -11.292 -37.349 1.00 0.00 C ATOM 1008 CD1 TYR A 93 15.026 -12.289 -38.182 1.00 0.00 C ATOM 1009 CD2 TYR A 93 14.820 -9.971 -37.678 1.00 0.00 C ATOM 1010 CE1 TYR A 93 15.764 -11.980 -39.307 1.00 0.00 C ATOM 1011 CE2 TYR A 93 15.555 -9.654 -38.798 1.00 0.00 C ATOM 1012 CZ TYR A 93 16.027 -10.660 -39.609 1.00 0.00 C ATOM 1013 OH TYR A 93 16.775 -10.342 -40.732 1.00 0.00 O ATOM 0 H TYR A 93 13.629 -13.254 -33.407 1.00 0.00 H new ATOM 0 HA TYR A 93 14.946 -13.116 -35.146 1.00 0.00 H new ATOM 0 HB2 TYR A 93 13.000 -12.391 -36.372 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.180 -10.742 -35.805 1.00 0.00 H new ATOM 0 HD1 TYR A 93 14.824 -13.323 -37.947 1.00 0.00 H new ATOM 0 HD2 TYR A 93 14.454 -9.178 -37.043 1.00 0.00 H new ATOM 0 HE1 TYR A 93 16.133 -12.767 -39.947 1.00 0.00 H new ATOM 0 HE2 TYR A 93 15.760 -8.621 -39.039 1.00 0.00 H new ATOM 0 HH TYR A 93 16.866 -9.369 -40.799 1.00 0.00 H new ATOM 1023 N VAL A 94 16.916 -11.698 -35.132 1.00 0.00 N ATOM 1024 CA VAL A 94 18.143 -10.961 -34.981 1.00 0.00 C ATOM 1025 C VAL A 94 18.351 -10.023 -36.179 1.00 0.00 C ATOM 1026 O VAL A 94 18.725 -10.487 -37.270 1.00 0.00 O ATOM 1027 CB VAL A 94 19.393 -11.882 -34.707 1.00 0.00 C ATOM 1028 CG1 VAL A 94 19.604 -12.927 -35.799 1.00 0.00 C ATOM 1029 CG2 VAL A 94 20.654 -11.045 -34.509 1.00 0.00 C ATOM 0 H VAL A 94 17.007 -12.567 -35.658 1.00 0.00 H new ATOM 0 HA VAL A 94 18.047 -10.349 -34.084 1.00 0.00 H new ATOM 0 HB VAL A 94 19.185 -12.425 -33.785 1.00 0.00 H new ATOM 0 HG11 VAL A 94 20.478 -13.533 -35.559 1.00 0.00 H new ATOM 0 HG12 VAL A 94 18.725 -13.568 -35.864 1.00 0.00 H new ATOM 0 HG13 VAL A 94 19.760 -12.428 -36.755 1.00 0.00 H new ATOM 0 HG21 VAL A 94 21.502 -11.704 -34.322 1.00 0.00 H new ATOM 0 HG22 VAL A 94 20.844 -10.455 -35.406 1.00 0.00 H new ATOM 0 HG23 VAL A 94 20.518 -10.378 -33.658 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 2.780 1.947 3.852 1.00 0.00 ZN