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 90 MET CE :methyl 176:sc= -0.014 (180deg=-0.0168) USER MOD Set 1.2: A 92 SER OG : rot 52:sc= 0.173 USER MOD Set 2.1: A 72 LYS NZ :NH3+ -168:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 80 SER OG : rot 68:sc= 2.35 USER MOD Single : A 30 ASN : amide:sc= -0.273 K(o=-0.27,f=-1.9) USER MOD Single : A 43 HIS : no HD1:sc= -0.921 K(o=-0.92,f=-1.4) 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 78:sc= 1.28 USER MOD Single : A 57 ASN : amide:sc= -0.166 K(o=-0.17,f=-1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= -0.0254 (180deg=-0.21) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 75 SER OG : rot -7:sc= 0.917 USER MOD Single : A 79 TYR OH : rot 150:sc= -2.48! USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 28 33.858 -11.249 0.802 1.00 0.00 N ATOM 2 CA ASP A 28 32.807 -11.134 1.826 1.00 0.00 C ATOM 3 C ASP A 28 31.484 -11.488 1.187 1.00 0.00 C ATOM 4 O ASP A 28 31.278 -11.161 0.009 1.00 0.00 O ATOM 5 CB ASP A 28 32.756 -9.686 2.384 1.00 0.00 C ATOM 6 CG ASP A 28 31.726 -9.479 3.469 1.00 0.00 C ATOM 7 OD1 ASP A 28 31.970 -9.879 4.624 1.00 0.00 O ATOM 8 OD2 ASP A 28 30.669 -8.900 3.192 1.00 0.00 O ATOM 0 HA ASP A 28 33.019 -11.810 2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 28 33.739 -9.424 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 28 32.547 -8.999 1.564 1.00 0.00 H new ATOM 13 N PRO A 29 30.577 -12.199 1.923 1.00 0.00 N ATOM 14 CA PRO A 29 29.238 -12.574 1.429 1.00 0.00 C ATOM 15 C PRO A 29 28.476 -11.403 0.816 1.00 0.00 C ATOM 16 O PRO A 29 28.851 -10.231 0.978 1.00 0.00 O ATOM 17 CB PRO A 29 28.502 -13.063 2.695 1.00 0.00 C ATOM 18 CG PRO A 29 29.405 -12.736 3.837 1.00 0.00 C ATOM 19 CD PRO A 29 30.791 -12.714 3.278 1.00 0.00 C ATOM 0 HA PRO A 29 29.311 -13.317 0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 29 27.538 -12.567 2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 29 28.306 -14.134 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 29 29.146 -11.772 4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 29 29.316 -13.480 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 29 31.452 -12.070 3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 29 31.241 -13.707 3.269 1.00 0.00 H new ATOM 27 N ASN A 30 27.388 -11.706 0.150 1.00 0.00 N ATOM 28 CA ASN A 30 26.597 -10.713 -0.501 1.00 0.00 C ATOM 29 C ASN A 30 25.725 -10.042 0.499 1.00 0.00 C ATOM 30 O ASN A 30 24.532 -10.350 0.662 1.00 0.00 O ATOM 31 CB ASN A 30 25.769 -11.250 -1.670 1.00 0.00 C ATOM 32 CG ASN A 30 24.968 -10.147 -2.371 1.00 0.00 C ATOM 33 OD1 ASN A 30 25.395 -8.987 -2.442 1.00 0.00 O ATOM 34 ND2 ASN A 30 23.807 -10.490 -2.882 1.00 0.00 N ATOM 0 H ASN A 30 27.032 -12.657 0.049 1.00 0.00 H new ATOM 0 HA ASN A 30 27.289 -9.994 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 30 26.431 -11.729 -2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.085 -12.017 -1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.231 -9.792 -3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.482 -11.454 -2.808 1.00 0.00 H new ATOM 41 N ALA A 31 26.360 -9.223 1.246 1.00 0.00 N ATOM 42 CA ALA A 31 25.738 -8.348 2.198 1.00 0.00 C ATOM 43 C ALA A 31 25.034 -7.218 1.442 1.00 0.00 C ATOM 44 O ALA A 31 25.402 -6.045 1.517 1.00 0.00 O ATOM 45 CB ALA A 31 26.776 -7.811 3.176 1.00 0.00 C ATOM 0 H ALA A 31 27.375 -9.130 1.220 1.00 0.00 H new ATOM 0 HA ALA A 31 24.996 -8.893 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 31 26.292 -7.148 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 31 27.241 -8.642 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.539 -7.258 2.629 1.00 0.00 H new ATOM 51 N GLU A 32 24.071 -7.625 0.658 1.00 0.00 N ATOM 52 CA GLU A 32 23.263 -6.774 -0.164 1.00 0.00 C ATOM 53 C GLU A 32 22.299 -6.006 0.727 1.00 0.00 C ATOM 54 O GLU A 32 21.787 -4.937 0.378 1.00 0.00 O ATOM 55 CB GLU A 32 22.525 -7.677 -1.137 1.00 0.00 C ATOM 56 CG GLU A 32 21.735 -7.003 -2.222 1.00 0.00 C ATOM 57 CD GLU A 32 21.133 -8.029 -3.133 1.00 0.00 C ATOM 58 OE1 GLU A 32 21.860 -8.588 -3.974 1.00 0.00 O ATOM 59 OE2 GLU A 32 19.930 -8.321 -3.012 1.00 0.00 O ATOM 0 H GLU A 32 23.819 -8.610 0.574 1.00 0.00 H new ATOM 0 HA GLU A 32 23.856 -6.045 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 32 23.254 -8.337 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.846 -8.309 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 32 20.949 -6.389 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 32 22.381 -6.334 -2.791 1.00 0.00 H new ATOM 66 N PHE A 33 22.093 -6.564 1.882 1.00 0.00 N ATOM 67 CA PHE A 33 21.276 -6.008 2.907 1.00 0.00 C ATOM 68 C PHE A 33 22.174 -5.336 3.944 1.00 0.00 C ATOM 69 O PHE A 33 23.400 -5.380 3.832 1.00 0.00 O ATOM 70 CB PHE A 33 20.429 -7.118 3.550 1.00 0.00 C ATOM 71 CG PHE A 33 21.252 -8.289 4.061 1.00 0.00 C ATOM 72 CD1 PHE A 33 21.756 -8.302 5.357 1.00 0.00 C ATOM 73 CD2 PHE A 33 21.533 -9.369 3.232 1.00 0.00 C ATOM 74 CE1 PHE A 33 22.520 -9.361 5.808 1.00 0.00 C ATOM 75 CE2 PHE A 33 22.292 -10.428 3.680 1.00 0.00 C ATOM 76 CZ PHE A 33 22.788 -10.424 4.967 1.00 0.00 C ATOM 0 H PHE A 33 22.510 -7.458 2.142 1.00 0.00 H new ATOM 0 HA PHE A 33 20.599 -5.263 2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.859 -6.696 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.707 -7.483 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 33 21.548 -7.474 6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 33 21.151 -9.378 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 33 22.907 -9.358 6.816 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.498 -11.261 3.024 1.00 0.00 H new ATOM 0 HZ PHE A 33 23.386 -11.252 5.318 1.00 0.00 H new ATOM 86 N ASP A 34 21.582 -4.755 4.944 1.00 0.00 N ATOM 87 CA ASP A 34 22.327 -4.051 5.968 1.00 0.00 C ATOM 88 C ASP A 34 21.759 -4.467 7.322 1.00 0.00 C ATOM 89 O ASP A 34 20.561 -4.714 7.426 1.00 0.00 O ATOM 90 CB ASP A 34 22.168 -2.536 5.756 1.00 0.00 C ATOM 91 CG ASP A 34 23.029 -1.695 6.665 1.00 0.00 C ATOM 92 OD1 ASP A 34 22.698 -1.556 7.856 1.00 0.00 O ATOM 93 OD2 ASP A 34 24.055 -1.133 6.179 1.00 0.00 O ATOM 0 H ASP A 34 20.571 -4.750 5.081 1.00 0.00 H new ATOM 0 HA ASP A 34 23.389 -4.294 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 34 22.410 -2.297 4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 34 21.123 -2.266 5.910 1.00 0.00 H new ATOM 98 N PRO A 35 22.589 -4.610 8.358 1.00 0.00 N ATOM 99 CA PRO A 35 22.119 -5.023 9.677 1.00 0.00 C ATOM 100 C PRO A 35 21.351 -3.952 10.454 1.00 0.00 C ATOM 101 O PRO A 35 20.571 -4.278 11.356 1.00 0.00 O ATOM 102 CB PRO A 35 23.385 -5.433 10.411 1.00 0.00 C ATOM 103 CG PRO A 35 24.474 -4.652 9.761 1.00 0.00 C ATOM 104 CD PRO A 35 24.059 -4.445 8.328 1.00 0.00 C ATOM 0 HA PRO A 35 21.386 -5.824 9.579 1.00 0.00 H new ATOM 0 HB2 PRO A 35 23.316 -5.206 11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 35 23.562 -6.505 10.325 1.00 0.00 H new ATOM 0 HG2 PRO A 35 24.619 -3.696 10.264 1.00 0.00 H new ATOM 0 HG3 PRO A 35 25.421 -5.188 9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.343 -3.456 7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 35 24.530 -5.172 7.666 1.00 0.00 H new ATOM 112 N ASP A 36 21.551 -2.704 10.127 1.00 0.00 N ATOM 113 CA ASP A 36 20.846 -1.645 10.839 1.00 0.00 C ATOM 114 C ASP A 36 19.684 -1.164 10.013 1.00 0.00 C ATOM 115 O ASP A 36 18.685 -0.636 10.531 1.00 0.00 O ATOM 116 CB ASP A 36 21.784 -0.495 11.178 1.00 0.00 C ATOM 117 CG ASP A 36 21.107 0.586 11.998 1.00 0.00 C ATOM 118 OD1 ASP A 36 20.684 0.302 13.145 1.00 0.00 O ATOM 119 OD2 ASP A 36 21.009 1.742 11.537 1.00 0.00 O ATOM 0 H ASP A 36 22.181 -2.388 9.389 1.00 0.00 H new ATOM 0 HA ASP A 36 20.468 -2.047 11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.642 -0.881 11.729 1.00 0.00 H new ATOM 0 HB3 ASP A 36 22.168 -0.060 10.255 1.00 0.00 H new ATOM 124 N LEU A 37 19.795 -1.370 8.738 1.00 0.00 N ATOM 125 CA LEU A 37 18.766 -0.980 7.822 1.00 0.00 C ATOM 126 C LEU A 37 18.123 -2.210 7.209 1.00 0.00 C ATOM 127 O LEU A 37 18.749 -2.905 6.413 1.00 0.00 O ATOM 128 CB LEU A 37 19.292 -0.073 6.707 1.00 0.00 C ATOM 129 CG LEU A 37 19.794 1.353 7.056 1.00 0.00 C ATOM 130 CD1 LEU A 37 18.739 2.153 7.795 1.00 0.00 C ATOM 131 CD2 LEU A 37 21.112 1.340 7.811 1.00 0.00 C ATOM 0 H LEU A 37 20.603 -1.814 8.301 1.00 0.00 H new ATOM 0 HA LEU A 37 18.029 -0.414 8.391 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.113 -0.598 6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.497 0.032 5.969 1.00 0.00 H new ATOM 0 HG LEU A 37 19.984 1.853 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.128 3.146 8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.850 2.245 7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.480 1.644 8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 37 21.416 2.364 8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.991 0.790 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.876 0.857 7.202 1.00 0.00 H new ATOM 143 N PRO A 38 16.873 -2.489 7.571 1.00 0.00 N ATOM 144 CA PRO A 38 16.127 -3.653 7.078 1.00 0.00 C ATOM 145 C PRO A 38 16.112 -3.709 5.557 1.00 0.00 C ATOM 146 O PRO A 38 15.800 -2.721 4.885 1.00 0.00 O ATOM 147 CB PRO A 38 14.713 -3.425 7.619 1.00 0.00 C ATOM 148 CG PRO A 38 14.911 -2.564 8.813 1.00 0.00 C ATOM 149 CD PRO A 38 16.079 -1.679 8.488 1.00 0.00 C ATOM 0 HA PRO A 38 16.570 -4.595 7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.078 -2.939 6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.232 -4.367 7.883 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.019 -1.974 9.022 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.110 -3.165 9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.759 -0.745 8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.644 -1.414 9.382 1.00 0.00 H new ATOM 157 N GLY A 39 16.527 -4.838 5.022 1.00 0.00 N ATOM 158 CA GLY A 39 16.549 -5.026 3.591 1.00 0.00 C ATOM 159 C GLY A 39 17.735 -4.348 2.938 1.00 0.00 C ATOM 160 O GLY A 39 17.935 -4.461 1.735 1.00 0.00 O ATOM 0 H GLY A 39 16.854 -5.640 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.575 -6.093 3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.627 -4.633 3.161 1.00 0.00 H new ATOM 164 N GLY A 40 18.528 -3.657 3.739 1.00 0.00 N ATOM 165 CA GLY A 40 19.636 -2.899 3.223 1.00 0.00 C ATOM 166 C GLY A 40 19.261 -1.455 3.084 1.00 0.00 C ATOM 167 O GLY A 40 20.015 -0.646 2.519 1.00 0.00 O ATOM 0 H GLY A 40 18.418 -3.610 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.493 -2.996 3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.938 -3.298 2.255 1.00 0.00 H new ATOM 171 N GLY A 41 18.104 -1.120 3.620 1.00 0.00 N ATOM 172 CA GLY A 41 17.579 0.202 3.464 1.00 0.00 C ATOM 173 C GLY A 41 16.814 0.270 2.182 1.00 0.00 C ATOM 174 O GLY A 41 16.659 1.334 1.580 1.00 0.00 O ATOM 0 H GLY A 41 17.517 -1.752 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.931 0.452 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.389 0.931 3.459 1.00 0.00 H new ATOM 178 N LEU A 42 16.332 -0.882 1.764 1.00 0.00 N ATOM 179 CA LEU A 42 15.653 -1.039 0.596 1.00 0.00 C ATOM 180 C LEU A 42 14.298 -1.537 0.999 1.00 0.00 C ATOM 181 O LEU A 42 13.957 -1.528 2.184 1.00 0.00 O ATOM 182 CB LEU A 42 16.353 -2.126 -0.247 1.00 0.00 C ATOM 183 CG LEU A 42 17.877 -2.006 -0.444 1.00 0.00 C ATOM 184 CD1 LEU A 42 18.391 -3.118 -1.340 1.00 0.00 C ATOM 185 CD2 LEU A 42 18.273 -0.655 -0.990 1.00 0.00 C ATOM 0 H LEU A 42 16.435 -1.749 2.292 1.00 0.00 H new ATOM 0 HA LEU A 42 15.604 -0.118 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.149 -3.092 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 42 15.887 -2.139 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 42 18.339 -2.106 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.469 -3.015 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.170 -4.083 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.904 -3.055 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 42 19.355 -0.615 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.792 -0.498 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.958 0.124 -0.296 1.00 0.00 H new ATOM 197 N HIS A 43 13.605 -2.019 0.035 1.00 0.00 N ATOM 198 CA HIS A 43 12.220 -2.516 0.124 1.00 0.00 C ATOM 199 C HIS A 43 11.397 -1.634 1.023 1.00 0.00 C ATOM 200 O HIS A 43 11.017 -2.031 2.115 1.00 0.00 O ATOM 201 CB HIS A 43 12.142 -3.962 0.618 1.00 0.00 C ATOM 202 CG HIS A 43 13.020 -4.920 -0.109 1.00 0.00 C ATOM 203 ND1 HIS A 43 12.696 -5.460 -1.323 1.00 0.00 N ATOM 204 CD2 HIS A 43 14.218 -5.446 0.227 1.00 0.00 C ATOM 205 CE1 HIS A 43 13.646 -6.280 -1.710 1.00 0.00 C ATOM 206 NE2 HIS A 43 14.586 -6.290 -0.787 1.00 0.00 N ATOM 0 H HIS A 43 13.983 -2.096 -0.909 1.00 0.00 H new ATOM 0 HA HIS A 43 11.818 -2.490 -0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.402 -3.984 1.676 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.110 -4.303 0.537 1.00 0.00 H new ATOM 0 HD2 HIS A 43 14.780 -5.240 1.126 1.00 0.00 H new ATOM 0 HE1 HIS A 43 13.655 -6.849 -2.628 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.447 -6.837 -0.822 1.00 0.00 H new ATOM 215 N ARG A 44 11.180 -0.435 0.608 1.00 0.00 N ATOM 216 CA ARG A 44 10.503 0.502 1.434 1.00 0.00 C ATOM 217 C ARG A 44 9.342 1.137 0.772 1.00 0.00 C ATOM 218 O ARG A 44 9.337 1.398 -0.436 1.00 0.00 O ATOM 219 CB ARG A 44 11.456 1.557 1.976 1.00 0.00 C ATOM 220 CG ARG A 44 12.313 2.230 0.925 1.00 0.00 C ATOM 221 CD ARG A 44 13.223 3.270 1.538 1.00 0.00 C ATOM 222 NE ARG A 44 14.158 3.812 0.556 1.00 0.00 N ATOM 223 CZ ARG A 44 15.139 4.677 0.825 1.00 0.00 C ATOM 224 NH1 ARG A 44 15.229 5.249 2.026 1.00 0.00 N ATOM 225 NH2 ARG A 44 16.013 4.996 -0.120 1.00 0.00 N ATOM 0 H ARG A 44 11.464 -0.078 -0.305 1.00 0.00 H new ATOM 0 HA ARG A 44 10.107 -0.074 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.876 2.319 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.108 1.093 2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.912 1.481 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.673 2.699 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.623 4.079 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.779 2.827 2.364 1.00 0.00 H new ATOM 0 HE ARG A 44 14.054 3.506 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.545 5.027 2.749 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.982 5.908 2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.934 4.581 -1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.764 5.656 0.082 1.00 0.00 H new ATOM 239 N CYS A 45 8.361 1.380 1.566 1.00 0.00 N ATOM 240 CA CYS A 45 7.178 2.067 1.151 1.00 0.00 C ATOM 241 C CYS A 45 7.376 3.518 1.497 1.00 0.00 C ATOM 242 O CYS A 45 7.509 3.857 2.670 1.00 0.00 O ATOM 243 CB CYS A 45 5.937 1.488 1.875 1.00 0.00 C ATOM 244 SG CYS A 45 4.361 2.407 1.620 1.00 0.00 S ATOM 0 H CYS A 45 8.353 1.102 2.547 1.00 0.00 H new ATOM 0 HA CYS A 45 7.007 1.948 0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.794 0.459 1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.147 1.453 2.944 1.00 0.00 H new ATOM 249 N LEU A 46 7.391 4.367 0.494 1.00 0.00 N ATOM 250 CA LEU A 46 7.653 5.789 0.673 1.00 0.00 C ATOM 251 C LEU A 46 6.572 6.429 1.504 1.00 0.00 C ATOM 252 O LEU A 46 6.829 7.329 2.290 1.00 0.00 O ATOM 253 CB LEU A 46 7.760 6.487 -0.678 1.00 0.00 C ATOM 254 CG LEU A 46 8.873 6.010 -1.599 1.00 0.00 C ATOM 255 CD1 LEU A 46 8.868 6.795 -2.901 1.00 0.00 C ATOM 256 CD2 LEU A 46 10.237 6.096 -0.919 1.00 0.00 C ATOM 0 H LEU A 46 7.222 4.096 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 46 8.602 5.896 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.810 6.369 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.896 7.554 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 46 8.685 4.961 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.672 6.438 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.911 6.658 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.017 7.854 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.008 5.747 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.440 7.130 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.238 5.472 -0.025 1.00 0.00 H new ATOM 268 N ALA A 47 5.371 5.937 1.344 1.00 0.00 N ATOM 269 CA ALA A 47 4.229 6.421 2.102 1.00 0.00 C ATOM 270 C ALA A 47 4.352 6.087 3.599 1.00 0.00 C ATOM 271 O ALA A 47 3.658 6.675 4.431 1.00 0.00 O ATOM 272 CB ALA A 47 2.941 5.852 1.536 1.00 0.00 C ATOM 0 H ALA A 47 5.149 5.189 0.687 1.00 0.00 H new ATOM 0 HA ALA A 47 4.209 7.507 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.094 6.223 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.833 6.160 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.969 4.764 1.591 1.00 0.00 H new ATOM 278 N CYS A 48 5.220 5.140 3.939 1.00 0.00 N ATOM 279 CA CYS A 48 5.385 4.763 5.330 1.00 0.00 C ATOM 280 C CYS A 48 6.777 5.040 5.877 1.00 0.00 C ATOM 281 O CYS A 48 6.982 5.020 7.092 1.00 0.00 O ATOM 282 CB CYS A 48 4.909 3.324 5.575 1.00 0.00 C ATOM 283 SG CYS A 48 3.212 3.168 5.212 1.00 0.00 S ATOM 0 H CYS A 48 5.809 4.630 3.281 1.00 0.00 H new ATOM 0 HA CYS A 48 4.736 5.418 5.911 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.483 2.635 4.956 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.091 3.047 6.613 1.00 0.00 H new ATOM 288 N ALA A 49 7.729 5.297 4.969 1.00 0.00 N ATOM 289 CA ALA A 49 9.130 5.635 5.302 1.00 0.00 C ATOM 290 C ALA A 49 9.833 4.511 6.081 1.00 0.00 C ATOM 291 O ALA A 49 10.917 4.704 6.651 1.00 0.00 O ATOM 292 CB ALA A 49 9.201 6.960 6.063 1.00 0.00 C ATOM 0 H ALA A 49 7.550 5.277 3.965 1.00 0.00 H new ATOM 0 HA ALA A 49 9.666 5.748 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.240 7.189 6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.784 7.756 5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.629 6.880 6.988 1.00 0.00 H new ATOM 298 N ARG A 50 9.239 3.344 6.071 1.00 0.00 N ATOM 299 CA ARG A 50 9.778 2.216 6.776 1.00 0.00 C ATOM 300 C ARG A 50 10.374 1.236 5.812 1.00 0.00 C ATOM 301 O ARG A 50 9.922 1.136 4.662 1.00 0.00 O ATOM 302 CB ARG A 50 8.723 1.556 7.662 1.00 0.00 C ATOM 303 CG ARG A 50 8.253 2.437 8.807 1.00 0.00 C ATOM 304 CD ARG A 50 7.207 1.740 9.643 1.00 0.00 C ATOM 305 NE ARG A 50 6.793 2.540 10.802 1.00 0.00 N ATOM 306 CZ ARG A 50 5.855 2.175 11.683 1.00 0.00 C ATOM 307 NH1 ARG A 50 5.181 1.041 11.509 1.00 0.00 N ATOM 308 NH2 ARG A 50 5.592 2.944 12.734 1.00 0.00 N ATOM 0 H ARG A 50 8.369 3.153 5.574 1.00 0.00 H new ATOM 0 HA ARG A 50 10.571 2.572 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.864 1.283 7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.130 0.631 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.103 2.706 9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.844 3.366 8.410 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.336 1.524 9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.599 0.783 9.987 1.00 0.00 H new ATOM 0 HE ARG A 50 7.254 3.439 10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.379 0.448 10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.466 0.764 12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.106 3.815 12.870 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.876 2.664 13.405 1.00 0.00 H new ATOM 322 N TYR A 51 11.357 0.512 6.275 1.00 0.00 N ATOM 323 CA TYR A 51 12.087 -0.393 5.483 1.00 0.00 C ATOM 324 C TYR A 51 11.634 -1.793 5.820 1.00 0.00 C ATOM 325 O TYR A 51 11.298 -2.087 6.976 1.00 0.00 O ATOM 326 CB TYR A 51 13.559 -0.290 5.854 1.00 0.00 C ATOM 327 CG TYR A 51 14.165 1.098 5.824 1.00 0.00 C ATOM 328 CD1 TYR A 51 14.548 1.698 4.636 1.00 0.00 C ATOM 329 CD2 TYR A 51 14.359 1.803 7.005 1.00 0.00 C ATOM 330 CE1 TYR A 51 15.108 2.966 4.628 1.00 0.00 C ATOM 331 CE2 TYR A 51 14.913 3.060 7.005 1.00 0.00 C ATOM 332 CZ TYR A 51 15.285 3.640 5.821 1.00 0.00 C ATOM 333 OH TYR A 51 15.844 4.905 5.827 1.00 0.00 O ATOM 0 H TYR A 51 11.668 0.550 7.246 1.00 0.00 H new ATOM 0 HA TYR A 51 11.935 -0.171 4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.688 -0.698 6.857 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.128 -0.926 5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 51 14.409 1.171 3.704 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.068 1.353 7.943 1.00 0.00 H new ATOM 0 HE1 TYR A 51 15.404 3.424 3.696 1.00 0.00 H new ATOM 0 HE2 TYR A 51 15.055 3.589 7.936 1.00 0.00 H new ATOM 0 HH TYR A 51 15.895 5.236 6.748 1.00 0.00 H new ATOM 343 N PHE A 52 11.613 -2.638 4.844 1.00 0.00 N ATOM 344 CA PHE A 52 11.234 -4.003 5.032 1.00 0.00 C ATOM 345 C PHE A 52 12.388 -4.871 4.610 1.00 0.00 C ATOM 346 O PHE A 52 13.121 -4.530 3.680 1.00 0.00 O ATOM 347 CB PHE A 52 9.981 -4.344 4.214 1.00 0.00 C ATOM 348 CG PHE A 52 8.772 -3.489 4.539 1.00 0.00 C ATOM 349 CD1 PHE A 52 8.644 -2.216 4.004 1.00 0.00 C ATOM 350 CD2 PHE A 52 7.774 -3.953 5.376 1.00 0.00 C ATOM 351 CE1 PHE A 52 7.559 -1.428 4.289 1.00 0.00 C ATOM 352 CE2 PHE A 52 6.676 -3.163 5.664 1.00 0.00 C ATOM 353 CZ PHE A 52 6.576 -1.894 5.114 1.00 0.00 C ATOM 0 H PHE A 52 11.860 -2.401 3.883 1.00 0.00 H new ATOM 0 HA PHE A 52 10.994 -4.176 6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.213 -4.237 3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.726 -5.391 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.415 -1.838 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.853 -4.940 5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.482 -0.439 3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.898 -3.533 6.316 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.720 -1.274 5.338 1.00 0.00 H new ATOM 363 N ILE A 53 12.564 -5.986 5.277 1.00 0.00 N ATOM 364 CA ILE A 53 13.661 -6.846 4.995 1.00 0.00 C ATOM 365 C ILE A 53 13.488 -7.558 3.666 1.00 0.00 C ATOM 366 O ILE A 53 14.469 -7.901 3.012 1.00 0.00 O ATOM 367 CB ILE A 53 13.921 -7.865 6.127 1.00 0.00 C ATOM 368 CG1 ILE A 53 12.693 -8.754 6.390 1.00 0.00 C ATOM 369 CG2 ILE A 53 14.380 -7.156 7.397 1.00 0.00 C ATOM 370 CD1 ILE A 53 12.912 -9.819 7.446 1.00 0.00 C ATOM 0 H ILE A 53 11.949 -6.311 6.023 1.00 0.00 H new ATOM 0 HA ILE A 53 14.539 -6.204 4.927 1.00 0.00 H new ATOM 0 HB ILE A 53 14.724 -8.525 5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.859 -8.122 6.695 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.402 -9.237 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 53 14.557 -7.892 8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.302 -6.611 7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.609 -6.458 7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.999 -10.401 7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.723 -10.478 7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.172 -9.345 8.392 1.00 0.00 H new ATOM 382 N ASP A 54 12.249 -7.755 3.238 1.00 0.00 N ATOM 383 CA ASP A 54 12.031 -8.451 1.985 1.00 0.00 C ATOM 384 C ASP A 54 10.901 -7.800 1.210 1.00 0.00 C ATOM 385 O ASP A 54 10.009 -7.180 1.806 1.00 0.00 O ATOM 386 CB ASP A 54 11.737 -9.943 2.224 1.00 0.00 C ATOM 387 CG ASP A 54 11.697 -10.736 0.933 1.00 0.00 C ATOM 388 OD1 ASP A 54 12.759 -11.221 0.499 1.00 0.00 O ATOM 389 OD2 ASP A 54 10.630 -10.844 0.325 1.00 0.00 O ATOM 0 H ASP A 54 11.405 -7.452 3.724 1.00 0.00 H new ATOM 0 HA ASP A 54 12.944 -8.381 1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.500 -10.361 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.782 -10.045 2.740 1.00 0.00 H new ATOM 394 N SER A 55 10.947 -7.937 -0.102 1.00 0.00 N ATOM 395 CA SER A 55 9.949 -7.389 -1.001 1.00 0.00 C ATOM 396 C SER A 55 8.584 -8.027 -0.736 1.00 0.00 C ATOM 397 O SER A 55 7.567 -7.376 -0.888 1.00 0.00 O ATOM 398 CB SER A 55 10.405 -7.615 -2.467 1.00 0.00 C ATOM 399 OG SER A 55 9.451 -7.166 -3.416 1.00 0.00 O ATOM 0 H SER A 55 11.693 -8.442 -0.581 1.00 0.00 H new ATOM 0 HA SER A 55 9.847 -6.318 -0.828 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.348 -7.095 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.595 -8.677 -2.624 1.00 0.00 H new ATOM 0 HG SER A 55 9.788 -7.330 -4.321 1.00 0.00 H new ATOM 405 N THR A 56 8.579 -9.288 -0.306 1.00 0.00 N ATOM 406 CA THR A 56 7.352 -9.987 0.019 1.00 0.00 C ATOM 407 C THR A 56 6.650 -9.271 1.168 1.00 0.00 C ATOM 408 O THR A 56 5.445 -9.047 1.134 1.00 0.00 O ATOM 409 CB THR A 56 7.653 -11.431 0.446 1.00 0.00 C ATOM 410 OG1 THR A 56 8.455 -12.068 -0.559 1.00 0.00 O ATOM 411 CG2 THR A 56 6.375 -12.235 0.654 1.00 0.00 C ATOM 0 H THR A 56 9.424 -9.845 -0.176 1.00 0.00 H new ATOM 0 HA THR A 56 6.714 -10.000 -0.865 1.00 0.00 H new ATOM 0 HB THR A 56 8.189 -11.396 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.383 -11.764 -0.478 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.629 -13.251 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.773 -11.766 1.432 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.808 -12.264 -0.276 1.00 0.00 H new ATOM 419 N ASN A 57 7.436 -8.868 2.152 1.00 0.00 N ATOM 420 CA ASN A 57 6.961 -8.195 3.321 1.00 0.00 C ATOM 421 C ASN A 57 6.422 -6.830 2.972 1.00 0.00 C ATOM 422 O ASN A 57 5.369 -6.415 3.461 1.00 0.00 O ATOM 423 CB ASN A 57 8.098 -8.101 4.330 1.00 0.00 C ATOM 424 CG ASN A 57 8.521 -9.451 4.856 1.00 0.00 C ATOM 425 OD1 ASN A 57 7.725 -10.378 4.921 1.00 0.00 O ATOM 426 ND2 ASN A 57 9.752 -9.572 5.255 1.00 0.00 N ATOM 0 H ASN A 57 8.446 -9.010 2.148 1.00 0.00 H new ATOM 0 HA ASN A 57 6.139 -8.760 3.761 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.954 -7.613 3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.788 -7.471 5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.080 -10.460 5.636 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.390 -8.779 5.187 1.00 0.00 H new ATOM 433 N LEU A 58 7.130 -6.154 2.111 1.00 0.00 N ATOM 434 CA LEU A 58 6.731 -4.858 1.626 1.00 0.00 C ATOM 435 C LEU A 58 5.445 -4.961 0.797 1.00 0.00 C ATOM 436 O LEU A 58 4.506 -4.204 0.995 1.00 0.00 O ATOM 437 CB LEU A 58 7.922 -4.225 0.857 1.00 0.00 C ATOM 438 CG LEU A 58 7.699 -2.923 0.083 1.00 0.00 C ATOM 439 CD1 LEU A 58 7.053 -3.168 -1.256 1.00 0.00 C ATOM 440 CD2 LEU A 58 6.919 -1.924 0.911 1.00 0.00 C ATOM 0 H LEU A 58 8.011 -6.489 1.720 1.00 0.00 H new ATOM 0 HA LEU A 58 6.487 -4.194 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.721 -4.047 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.290 -4.969 0.150 1.00 0.00 H new ATOM 0 HG LEU A 58 8.679 -2.490 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.913 -2.218 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.693 -3.816 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.085 -3.648 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.775 -1.009 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.948 -2.346 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.471 -1.697 1.823 1.00 0.00 H new ATOM 452 N LYS A 59 5.430 -5.880 -0.112 1.00 0.00 N ATOM 453 CA LYS A 59 4.252 -6.148 -0.954 1.00 0.00 C ATOM 454 C LYS A 59 3.027 -6.530 -0.091 1.00 0.00 C ATOM 455 O LYS A 59 1.917 -6.041 -0.314 1.00 0.00 O ATOM 456 CB LYS A 59 4.577 -7.257 -1.956 1.00 0.00 C ATOM 457 CG LYS A 59 3.458 -7.604 -2.915 1.00 0.00 C ATOM 458 CD LYS A 59 3.894 -8.712 -3.847 1.00 0.00 C ATOM 459 CE LYS A 59 2.797 -9.113 -4.812 1.00 0.00 C ATOM 460 NZ LYS A 59 3.222 -10.229 -5.682 1.00 0.00 N ATOM 0 H LYS A 59 6.227 -6.484 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 59 3.999 -5.239 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.451 -6.958 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.853 -8.155 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.574 -7.915 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.177 -6.723 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.770 -8.388 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.195 -9.580 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.908 -9.404 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.520 -8.256 -5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.448 -10.478 -6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.056 -9.941 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.462 -11.054 -5.096 1.00 0.00 H new ATOM 474 N THR A 60 3.255 -7.373 0.915 1.00 0.00 N ATOM 475 CA THR A 60 2.216 -7.776 1.855 1.00 0.00 C ATOM 476 C THR A 60 1.691 -6.553 2.628 1.00 0.00 C ATOM 477 O THR A 60 0.527 -6.488 3.026 1.00 0.00 O ATOM 478 CB THR A 60 2.741 -8.846 2.823 1.00 0.00 C ATOM 479 OG1 THR A 60 3.165 -9.997 2.069 1.00 0.00 O ATOM 480 CG2 THR A 60 1.688 -9.269 3.831 1.00 0.00 C ATOM 0 H THR A 60 4.165 -7.794 1.099 1.00 0.00 H new ATOM 0 HA THR A 60 1.390 -8.209 1.290 1.00 0.00 H new ATOM 0 HB THR A 60 3.577 -8.416 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.125 -9.930 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.104 -10.027 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.377 -8.404 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.826 -9.680 3.306 1.00 0.00 H new ATOM 488 N HIS A 61 2.560 -5.594 2.812 1.00 0.00 N ATOM 489 CA HIS A 61 2.228 -4.346 3.448 1.00 0.00 C ATOM 490 C HIS A 61 1.127 -3.574 2.681 1.00 0.00 C ATOM 491 O HIS A 61 0.338 -2.856 3.289 1.00 0.00 O ATOM 492 CB HIS A 61 3.508 -3.498 3.658 1.00 0.00 C ATOM 493 CG HIS A 61 3.258 -2.066 3.950 1.00 0.00 C ATOM 494 ND1 HIS A 61 2.669 -1.616 5.097 1.00 0.00 N ATOM 495 CD2 HIS A 61 3.442 -0.980 3.176 1.00 0.00 C ATOM 496 CE1 HIS A 61 2.497 -0.328 4.999 1.00 0.00 C ATOM 497 NE2 HIS A 61 2.954 0.070 3.864 1.00 0.00 N ATOM 0 H HIS A 61 3.535 -5.659 2.519 1.00 0.00 H new ATOM 0 HA HIS A 61 1.806 -4.565 4.429 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.082 -3.928 4.479 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.127 -3.570 2.764 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.407 -2.192 5.897 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.893 -0.956 2.195 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.044 0.303 5.749 1.00 0.00 H new ATOM 505 N PHE A 62 1.047 -3.733 1.367 1.00 0.00 N ATOM 506 CA PHE A 62 0.028 -2.992 0.638 1.00 0.00 C ATOM 507 C PHE A 62 -1.253 -3.811 0.535 1.00 0.00 C ATOM 508 O PHE A 62 -2.177 -3.439 -0.167 1.00 0.00 O ATOM 509 CB PHE A 62 0.475 -2.566 -0.760 1.00 0.00 C ATOM 510 CG PHE A 62 1.840 -1.978 -0.836 1.00 0.00 C ATOM 511 CD1 PHE A 62 2.166 -0.810 -0.167 1.00 0.00 C ATOM 512 CD2 PHE A 62 2.804 -2.618 -1.567 1.00 0.00 C ATOM 513 CE1 PHE A 62 3.449 -0.297 -0.237 1.00 0.00 C ATOM 514 CE2 PHE A 62 4.070 -2.128 -1.641 1.00 0.00 C ATOM 515 CZ PHE A 62 4.412 -0.970 -0.983 1.00 0.00 C ATOM 0 H PHE A 62 1.645 -4.339 0.805 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.152 -2.081 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.433 -3.434 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.239 -1.839 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.414 -0.296 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.555 -3.527 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.701 0.616 0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.814 -2.653 -2.222 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.420 -0.586 -1.045 1.00 0.00 H new ATOM 525 N ARG A 63 -1.317 -4.929 1.245 1.00 0.00 N ATOM 526 CA ARG A 63 -2.542 -5.713 1.270 1.00 0.00 C ATOM 527 C ARG A 63 -3.603 -4.997 2.092 1.00 0.00 C ATOM 528 O ARG A 63 -4.781 -5.357 2.068 1.00 0.00 O ATOM 529 CB ARG A 63 -2.315 -7.145 1.756 1.00 0.00 C ATOM 530 CG ARG A 63 -1.425 -7.985 0.843 1.00 0.00 C ATOM 531 CD ARG A 63 -2.011 -8.101 -0.559 1.00 0.00 C ATOM 532 NE ARG A 63 -1.210 -8.972 -1.432 1.00 0.00 N ATOM 533 CZ ARG A 63 -1.298 -9.004 -2.778 1.00 0.00 C ATOM 534 NH1 ARG A 63 -2.105 -8.161 -3.423 1.00 0.00 N ATOM 535 NH2 ARG A 63 -0.570 -9.882 -3.462 1.00 0.00 N ATOM 0 H ARG A 63 -0.550 -5.307 1.801 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.900 -5.802 0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.868 -7.112 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.281 -7.639 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.433 -7.536 0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.301 -8.980 1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.027 -8.492 -0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.079 -7.109 -1.004 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.539 -9.598 -0.987 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.661 -7.486 -2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.166 -8.191 -4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.049 -10.525 -2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.631 -9.912 -4.480 1.00 0.00 H new ATOM 549 N SER A 64 -3.169 -3.988 2.821 1.00 0.00 N ATOM 550 CA SER A 64 -4.051 -3.114 3.510 1.00 0.00 C ATOM 551 C SER A 64 -4.610 -2.122 2.474 1.00 0.00 C ATOM 552 O SER A 64 -3.926 -1.162 2.074 1.00 0.00 O ATOM 553 CB SER A 64 -3.284 -2.380 4.612 1.00 0.00 C ATOM 554 OG SER A 64 -2.628 -3.315 5.477 1.00 0.00 O ATOM 0 H SER A 64 -2.181 -3.763 2.943 1.00 0.00 H new ATOM 0 HA SER A 64 -4.868 -3.661 3.981 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.548 -1.710 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.970 -1.761 5.190 1.00 0.00 H new ATOM 0 HG SER A 64 -2.141 -2.829 6.175 1.00 0.00 H new ATOM 560 N LYS A 65 -5.818 -2.387 2.002 1.00 0.00 N ATOM 561 CA LYS A 65 -6.430 -1.590 0.942 1.00 0.00 C ATOM 562 C LYS A 65 -6.710 -0.133 1.322 1.00 0.00 C ATOM 563 O LYS A 65 -6.748 0.733 0.455 1.00 0.00 O ATOM 564 CB LYS A 65 -7.638 -2.312 0.275 1.00 0.00 C ATOM 565 CG LYS A 65 -8.685 -2.907 1.229 1.00 0.00 C ATOM 566 CD LYS A 65 -9.373 -1.868 2.094 1.00 0.00 C ATOM 567 CE LYS A 65 -10.349 -2.513 3.058 1.00 0.00 C ATOM 568 NZ LYS A 65 -11.422 -3.245 2.356 1.00 0.00 N ATOM 0 H LYS A 65 -6.401 -3.154 2.337 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.666 -1.508 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.139 -1.603 -0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.253 -3.115 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.437 -3.438 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.203 -3.643 1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.626 -1.304 2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.901 -1.156 1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.811 -3.199 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.790 -1.746 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.171 -3.495 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.819 -2.644 1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.032 -4.112 1.935 1.00 0.00 H new ATOM 582 N ASP A 66 -6.879 0.128 2.617 1.00 0.00 N ATOM 583 CA ASP A 66 -7.130 1.492 3.137 1.00 0.00 C ATOM 584 C ASP A 66 -5.959 2.392 2.807 1.00 0.00 C ATOM 585 O ASP A 66 -6.103 3.582 2.553 1.00 0.00 O ATOM 586 CB ASP A 66 -7.309 1.443 4.656 1.00 0.00 C ATOM 587 CG ASP A 66 -7.607 2.802 5.274 1.00 0.00 C ATOM 588 OD1 ASP A 66 -8.803 3.181 5.363 1.00 0.00 O ATOM 589 OD2 ASP A 66 -6.663 3.500 5.697 1.00 0.00 O ATOM 0 H ASP A 66 -6.848 -0.589 3.341 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.035 1.884 2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.121 0.757 4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.404 1.037 5.108 1.00 0.00 H new ATOM 594 N HIS A 67 -4.805 1.790 2.784 1.00 0.00 N ATOM 595 CA HIS A 67 -3.560 2.474 2.496 1.00 0.00 C ATOM 596 C HIS A 67 -3.527 2.915 1.091 1.00 0.00 C ATOM 597 O HIS A 67 -3.241 4.053 0.799 1.00 0.00 O ATOM 598 CB HIS A 67 -2.416 1.527 2.714 1.00 0.00 C ATOM 599 CG HIS A 67 -1.076 2.074 2.589 1.00 0.00 C ATOM 600 ND1 HIS A 67 -0.798 3.374 2.952 1.00 0.00 N ATOM 601 CD2 HIS A 67 0.034 1.421 2.550 1.00 0.00 C ATOM 602 CE1 HIS A 67 0.459 3.466 3.193 1.00 0.00 C ATOM 603 NE2 HIS A 67 1.004 2.307 2.973 1.00 0.00 N ATOM 0 H HIS A 67 -4.692 0.793 2.967 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.480 3.340 3.153 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.516 1.099 3.711 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.515 0.706 2.003 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.476 4.133 3.018 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.176 0.394 2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.976 4.355 3.523 1.00 0.00 H new ATOM 611 N LYS A 68 -3.806 2.007 0.234 1.00 0.00 N ATOM 612 CA LYS A 68 -3.754 2.244 -1.160 1.00 0.00 C ATOM 613 C LYS A 68 -4.887 3.174 -1.557 1.00 0.00 C ATOM 614 O LYS A 68 -4.792 3.929 -2.527 1.00 0.00 O ATOM 615 CB LYS A 68 -3.785 0.940 -1.879 1.00 0.00 C ATOM 616 CG LYS A 68 -2.664 -0.034 -1.441 1.00 0.00 C ATOM 617 CD LYS A 68 -2.779 -1.334 -2.236 1.00 0.00 C ATOM 618 CE LYS A 68 -2.698 -1.095 -3.742 1.00 0.00 C ATOM 619 NZ LYS A 68 -2.903 -2.335 -4.515 1.00 0.00 N ATOM 0 H LYS A 68 -4.083 1.058 0.486 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.825 2.742 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.752 0.466 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.699 1.123 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.687 0.421 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.743 -0.240 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.983 -2.015 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.724 -1.822 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.448 -0.360 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.724 -0.672 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.839 -2.125 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.172 -3.029 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.842 -2.727 -4.300 1.00 0.00 H new ATOM 633 N LYS A 69 -5.952 3.096 -0.799 1.00 0.00 N ATOM 634 CA LYS A 69 -7.046 4.021 -0.886 1.00 0.00 C ATOM 635 C LYS A 69 -6.546 5.431 -0.555 1.00 0.00 C ATOM 636 O LYS A 69 -6.866 6.396 -1.243 1.00 0.00 O ATOM 637 CB LYS A 69 -8.115 3.619 0.109 1.00 0.00 C ATOM 638 CG LYS A 69 -9.231 4.607 0.236 1.00 0.00 C ATOM 639 CD LYS A 69 -10.207 4.167 1.306 1.00 0.00 C ATOM 640 CE LYS A 69 -11.346 5.148 1.472 1.00 0.00 C ATOM 641 NZ LYS A 69 -12.240 4.753 2.580 1.00 0.00 N ATOM 0 H LYS A 69 -6.082 2.373 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.460 4.010 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.529 2.655 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.653 3.480 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.829 5.589 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.748 4.706 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.608 3.186 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.681 4.059 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.946 6.144 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.916 5.206 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.011 5.446 2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.640 3.813 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.699 4.722 3.468 1.00 0.00 H new ATOM 655 N ARG A 70 -5.731 5.536 0.487 1.00 0.00 N ATOM 656 CA ARG A 70 -5.196 6.818 0.894 1.00 0.00 C ATOM 657 C ARG A 70 -4.234 7.335 -0.176 1.00 0.00 C ATOM 658 O ARG A 70 -4.101 8.540 -0.391 1.00 0.00 O ATOM 659 CB ARG A 70 -4.467 6.681 2.237 1.00 0.00 C ATOM 660 CG ARG A 70 -4.027 8.002 2.849 1.00 0.00 C ATOM 661 CD ARG A 70 -5.228 8.877 3.148 1.00 0.00 C ATOM 662 NE ARG A 70 -4.857 10.181 3.693 1.00 0.00 N ATOM 663 CZ ARG A 70 -5.726 11.159 3.945 1.00 0.00 C ATOM 664 NH1 ARG A 70 -7.024 10.961 3.753 1.00 0.00 N ATOM 665 NH2 ARG A 70 -5.302 12.325 4.402 1.00 0.00 N ATOM 0 H ARG A 70 -5.430 4.748 1.061 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.015 7.528 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.122 6.168 2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.590 6.049 2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.468 7.816 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.354 8.520 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.804 9.021 2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.878 8.364 3.856 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.872 10.353 3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.357 10.059 3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.688 11.710 3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.306 12.478 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.970 13.071 4.594 1.00 0.00 H new ATOM 679 N LEU A 71 -3.609 6.404 -0.868 1.00 0.00 N ATOM 680 CA LEU A 71 -2.649 6.704 -1.879 1.00 0.00 C ATOM 681 C LEU A 71 -3.332 7.231 -3.135 1.00 0.00 C ATOM 682 O LEU A 71 -2.900 8.247 -3.713 1.00 0.00 O ATOM 683 CB LEU A 71 -1.849 5.449 -2.224 1.00 0.00 C ATOM 684 CG LEU A 71 -1.055 4.770 -1.097 1.00 0.00 C ATOM 685 CD1 LEU A 71 -0.271 3.579 -1.631 1.00 0.00 C ATOM 686 CD2 LEU A 71 -0.127 5.744 -0.401 1.00 0.00 C ATOM 0 H LEU A 71 -3.765 5.405 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.978 7.473 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.541 4.714 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.148 5.707 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.775 4.413 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.284 3.114 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.961 2.853 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.426 3.917 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.417 5.227 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.581 6.151 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.711 6.556 0.032 1.00 0.00 H new ATOM 698 N LYS A 72 -4.402 6.552 -3.555 1.00 0.00 N ATOM 699 CA LYS A 72 -5.122 6.928 -4.759 1.00 0.00 C ATOM 700 C LYS A 72 -5.659 8.340 -4.664 1.00 0.00 C ATOM 701 O LYS A 72 -5.425 9.152 -5.556 1.00 0.00 O ATOM 702 CB LYS A 72 -6.259 5.930 -5.122 1.00 0.00 C ATOM 703 CG LYS A 72 -7.326 5.764 -4.069 1.00 0.00 C ATOM 704 CD LYS A 72 -8.467 4.860 -4.505 1.00 0.00 C ATOM 705 CE LYS A 72 -8.030 3.429 -4.784 1.00 0.00 C ATOM 706 NZ LYS A 72 -9.185 2.573 -5.138 1.00 0.00 N ATOM 0 H LYS A 72 -4.784 5.738 -3.073 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.395 6.888 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.731 6.262 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.815 4.955 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.874 5.356 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.727 6.744 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.233 4.854 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.926 5.274 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.305 3.420 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.529 3.022 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.894 1.575 -5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.951 2.721 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.522 2.821 -6.090 1.00 0.00 H new ATOM 720 N GLN A 73 -6.311 8.643 -3.559 1.00 0.00 N ATOM 721 CA GLN A 73 -6.947 9.928 -3.380 1.00 0.00 C ATOM 722 C GLN A 73 -5.925 11.033 -3.183 1.00 0.00 C ATOM 723 O GLN A 73 -6.217 12.211 -3.401 1.00 0.00 O ATOM 724 CB GLN A 73 -7.945 9.887 -2.224 1.00 0.00 C ATOM 725 CG GLN A 73 -7.296 9.678 -0.869 1.00 0.00 C ATOM 726 CD GLN A 73 -8.295 9.554 0.254 1.00 0.00 C ATOM 727 OE1 GLN A 73 -8.725 8.463 0.598 1.00 0.00 O ATOM 728 NE2 GLN A 73 -8.682 10.666 0.825 1.00 0.00 N ATOM 0 H GLN A 73 -6.413 8.009 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.498 10.153 -4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.508 10.820 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.662 9.085 -2.402 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.682 8.778 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.627 10.513 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.302 11.559 0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.364 10.640 1.583 1.00 0.00 H new ATOM 737 N LEU A 74 -4.737 10.658 -2.770 1.00 0.00 N ATOM 738 CA LEU A 74 -3.704 11.614 -2.560 1.00 0.00 C ATOM 739 C LEU A 74 -3.139 12.089 -3.883 1.00 0.00 C ATOM 740 O LEU A 74 -2.951 13.291 -4.082 1.00 0.00 O ATOM 741 CB LEU A 74 -2.599 11.004 -1.724 1.00 0.00 C ATOM 742 CG LEU A 74 -1.406 11.901 -1.393 1.00 0.00 C ATOM 743 CD1 LEU A 74 -1.840 13.093 -0.553 1.00 0.00 C ATOM 744 CD2 LEU A 74 -0.324 11.103 -0.686 1.00 0.00 C ATOM 0 H LEU A 74 -4.473 9.692 -2.576 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.128 12.469 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.034 10.659 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.226 10.123 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.994 12.284 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.974 13.716 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.576 13.678 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.282 12.740 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.519 11.756 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.724 10.688 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.011 10.292 -1.332 1.00 0.00 H new ATOM 756 N SER A 75 -2.933 11.149 -4.812 1.00 0.00 N ATOM 757 CA SER A 75 -2.259 11.437 -6.102 1.00 0.00 C ATOM 758 C SER A 75 -2.270 10.229 -7.041 1.00 0.00 C ATOM 759 O SER A 75 -2.415 10.382 -8.257 1.00 0.00 O ATOM 760 CB SER A 75 -0.770 11.832 -5.887 1.00 0.00 C ATOM 761 OG SER A 75 -0.613 13.017 -5.119 1.00 0.00 O ATOM 0 H SER A 75 -3.221 10.177 -4.703 1.00 0.00 H new ATOM 0 HA SER A 75 -2.818 12.260 -6.546 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.251 11.013 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.293 11.969 -6.857 1.00 0.00 H new ATOM 0 HG SER A 75 -1.491 13.423 -4.961 1.00 0.00 H new ATOM 767 N VAL A 76 -2.117 9.033 -6.467 1.00 0.00 N ATOM 768 CA VAL A 76 -1.934 7.805 -7.246 1.00 0.00 C ATOM 769 C VAL A 76 -3.076 7.521 -8.225 1.00 0.00 C ATOM 770 O VAL A 76 -2.832 7.119 -9.357 1.00 0.00 O ATOM 771 CB VAL A 76 -1.652 6.572 -6.339 1.00 0.00 C ATOM 772 CG1 VAL A 76 -1.501 5.292 -7.158 1.00 0.00 C ATOM 773 CG2 VAL A 76 -0.400 6.808 -5.508 1.00 0.00 C ATOM 0 H VAL A 76 -2.116 8.888 -5.457 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.048 7.985 -7.856 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.509 6.446 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.305 4.453 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.420 5.106 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.670 5.402 -7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.213 5.939 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.451 6.966 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.540 7.688 -4.880 1.00 0.00 H new ATOM 783 N GLU A 77 -4.296 7.760 -7.825 1.00 0.00 N ATOM 784 CA GLU A 77 -5.409 7.462 -8.691 1.00 0.00 C ATOM 785 C GLU A 77 -6.609 8.355 -8.356 1.00 0.00 C ATOM 786 O GLU A 77 -7.437 8.015 -7.501 1.00 0.00 O ATOM 787 CB GLU A 77 -5.765 5.965 -8.607 1.00 0.00 C ATOM 788 CG GLU A 77 -6.831 5.488 -9.565 1.00 0.00 C ATOM 789 CD GLU A 77 -7.158 4.031 -9.349 1.00 0.00 C ATOM 790 OE1 GLU A 77 -6.257 3.176 -9.495 1.00 0.00 O ATOM 791 OE2 GLU A 77 -8.330 3.711 -9.056 1.00 0.00 O ATOM 0 H GLU A 77 -4.545 8.155 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.124 7.677 -9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.859 5.385 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.092 5.745 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.732 6.087 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.493 5.638 -10.590 1.00 0.00 H new ATOM 798 N PRO A 78 -6.655 9.557 -8.953 1.00 0.00 N ATOM 799 CA PRO A 78 -7.772 10.494 -8.780 1.00 0.00 C ATOM 800 C PRO A 78 -9.017 9.950 -9.467 1.00 0.00 C ATOM 801 O PRO A 78 -8.974 9.658 -10.668 1.00 0.00 O ATOM 802 CB PRO A 78 -7.285 11.768 -9.498 1.00 0.00 C ATOM 803 CG PRO A 78 -5.818 11.584 -9.664 1.00 0.00 C ATOM 804 CD PRO A 78 -5.613 10.115 -9.827 1.00 0.00 C ATOM 0 HA PRO A 78 -8.033 10.665 -7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.778 11.890 -10.462 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.506 12.660 -8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.451 12.130 -10.533 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.275 11.962 -8.797 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.738 9.799 -10.863 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.614 9.807 -9.518 1.00 0.00 H new ATOM 812 N TYR A 79 -10.111 9.820 -8.710 1.00 0.00 N ATOM 813 CA TYR A 79 -11.366 9.209 -9.185 1.00 0.00 C ATOM 814 C TYR A 79 -11.113 7.739 -9.466 1.00 0.00 C ATOM 815 O TYR A 79 -10.464 7.363 -10.447 1.00 0.00 O ATOM 816 CB TYR A 79 -11.945 9.936 -10.406 1.00 0.00 C ATOM 817 CG TYR A 79 -13.277 9.398 -10.916 1.00 0.00 C ATOM 818 CD1 TYR A 79 -14.479 9.843 -10.378 1.00 0.00 C ATOM 819 CD2 TYR A 79 -13.328 8.461 -11.940 1.00 0.00 C ATOM 820 CE1 TYR A 79 -15.691 9.366 -10.843 1.00 0.00 C ATOM 821 CE2 TYR A 79 -14.535 7.983 -12.409 1.00 0.00 C ATOM 822 CZ TYR A 79 -15.712 8.440 -11.859 1.00 0.00 C ATOM 823 OH TYR A 79 -16.913 7.960 -12.325 1.00 0.00 O ATOM 0 H TYR A 79 -10.155 10.137 -7.742 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.123 9.304 -8.407 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.070 10.989 -10.155 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.218 9.886 -11.216 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -14.466 10.574 -9.583 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.408 8.101 -12.376 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.616 9.719 -10.411 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.556 7.253 -13.205 1.00 0.00 H new ATOM 0 HH TYR A 79 -16.825 7.721 -13.271 1.00 0.00 H new ATOM 833 N SER A 80 -11.625 6.921 -8.635 1.00 0.00 N ATOM 834 CA SER A 80 -11.273 5.540 -8.679 1.00 0.00 C ATOM 835 C SER A 80 -12.400 4.704 -9.231 1.00 0.00 C ATOM 836 O SER A 80 -13.416 4.544 -8.592 1.00 0.00 O ATOM 837 CB SER A 80 -10.849 5.066 -7.287 1.00 0.00 C ATOM 838 OG SER A 80 -10.320 3.747 -7.318 1.00 0.00 O ATOM 0 H SER A 80 -12.294 7.174 -7.908 1.00 0.00 H new ATOM 0 HA SER A 80 -10.428 5.417 -9.356 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.101 5.748 -6.883 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.707 5.098 -6.615 1.00 0.00 H new ATOM 0 HG SER A 80 -9.469 3.747 -7.805 1.00 0.00 H new ATOM 844 N GLN A 81 -12.202 4.237 -10.453 1.00 0.00 N ATOM 845 CA GLN A 81 -13.097 3.338 -11.190 1.00 0.00 C ATOM 846 C GLN A 81 -14.599 3.538 -10.983 1.00 0.00 C ATOM 847 O GLN A 81 -15.265 2.757 -10.287 1.00 0.00 O ATOM 848 CB GLN A 81 -12.639 1.871 -11.198 1.00 0.00 C ATOM 849 CG GLN A 81 -12.432 1.255 -9.833 1.00 0.00 C ATOM 850 CD GLN A 81 -11.916 -0.162 -9.896 1.00 0.00 C ATOM 851 OE1 GLN A 81 -12.204 -0.900 -10.833 1.00 0.00 O ATOM 852 NE2 GLN A 81 -11.139 -0.545 -8.913 1.00 0.00 N ATOM 0 H GLN A 81 -11.372 4.483 -10.992 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.977 3.681 -12.218 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.378 1.279 -11.738 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.705 1.801 -11.756 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.729 1.867 -9.268 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.376 1.268 -9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.924 0.099 -8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.749 -1.488 -8.909 1.00 0.00 H new ATOM 861 N GLU A 82 -15.103 4.638 -11.566 1.00 0.00 N ATOM 862 CA GLU A 82 -16.524 5.032 -11.529 1.00 0.00 C ATOM 863 C GLU A 82 -17.012 5.157 -10.062 1.00 0.00 C ATOM 864 O GLU A 82 -18.202 4.990 -9.759 1.00 0.00 O ATOM 865 CB GLU A 82 -17.362 4.016 -12.328 1.00 0.00 C ATOM 866 CG GLU A 82 -18.779 4.474 -12.624 1.00 0.00 C ATOM 867 CD GLU A 82 -19.563 3.456 -13.386 1.00 0.00 C ATOM 868 OE1 GLU A 82 -19.403 3.364 -14.625 1.00 0.00 O ATOM 869 OE2 GLU A 82 -20.365 2.724 -12.758 1.00 0.00 O ATOM 0 H GLU A 82 -14.522 5.294 -12.088 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.645 6.010 -11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.856 3.806 -13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.404 3.079 -11.772 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -19.290 4.693 -11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -18.745 5.403 -13.194 1.00 0.00 H new ATOM 876 N GLU A 83 -16.072 5.508 -9.190 1.00 0.00 N ATOM 877 CA GLU A 83 -16.266 5.617 -7.751 1.00 0.00 C ATOM 878 C GLU A 83 -16.451 4.239 -7.155 1.00 0.00 C ATOM 879 O GLU A 83 -17.560 3.705 -7.039 1.00 0.00 O ATOM 880 CB GLU A 83 -17.366 6.598 -7.356 1.00 0.00 C ATOM 881 CG GLU A 83 -17.526 6.793 -5.860 1.00 0.00 C ATOM 882 CD GLU A 83 -18.613 7.771 -5.535 1.00 0.00 C ATOM 883 OE1 GLU A 83 -18.424 8.974 -5.776 1.00 0.00 O ATOM 884 OE2 GLU A 83 -19.688 7.360 -5.060 1.00 0.00 O ATOM 0 H GLU A 83 -15.120 5.732 -9.478 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.363 6.053 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.156 7.564 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.313 6.248 -7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.749 5.834 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.584 7.144 -5.437 1.00 0.00 H new ATOM 891 N ALA A 84 -15.347 3.655 -6.856 1.00 0.00 N ATOM 892 CA ALA A 84 -15.258 2.321 -6.382 1.00 0.00 C ATOM 893 C ALA A 84 -15.528 2.234 -4.883 1.00 0.00 C ATOM 894 O ALA A 84 -15.685 3.272 -4.209 1.00 0.00 O ATOM 895 CB ALA A 84 -13.877 1.801 -6.728 1.00 0.00 C ATOM 0 H ALA A 84 -14.440 4.115 -6.939 1.00 0.00 H new ATOM 0 HA ALA A 84 -16.021 1.707 -6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.776 0.774 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.738 1.829 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -13.123 2.425 -6.248 1.00 0.00 H new ATOM 901 N GLU A 85 -15.595 1.003 -4.372 1.00 0.00 N ATOM 902 CA GLU A 85 -15.798 0.726 -2.944 1.00 0.00 C ATOM 903 C GLU A 85 -17.163 1.188 -2.431 1.00 0.00 C ATOM 904 O GLU A 85 -17.351 1.377 -1.221 1.00 0.00 O ATOM 905 CB GLU A 85 -14.657 1.312 -2.094 1.00 0.00 C ATOM 906 CG GLU A 85 -13.314 0.642 -2.323 1.00 0.00 C ATOM 907 CD GLU A 85 -13.367 -0.832 -2.000 1.00 0.00 C ATOM 908 OE1 GLU A 85 -13.384 -1.185 -0.806 1.00 0.00 O ATOM 909 OE2 GLU A 85 -13.404 -1.662 -2.934 1.00 0.00 O ATOM 0 H GLU A 85 -15.509 0.161 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.782 -0.359 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.563 2.376 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.921 1.225 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.012 0.777 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.556 1.124 -1.705 1.00 0.00 H new ATOM 916 N ARG A 86 -18.119 1.333 -3.320 1.00 0.00 N ATOM 917 CA ARG A 86 -19.453 1.712 -2.912 1.00 0.00 C ATOM 918 C ARG A 86 -20.418 0.562 -3.173 1.00 0.00 C ATOM 919 O ARG A 86 -20.600 0.142 -4.317 1.00 0.00 O ATOM 920 CB ARG A 86 -19.929 3.019 -3.593 1.00 0.00 C ATOM 921 CG ARG A 86 -20.100 2.961 -5.109 1.00 0.00 C ATOM 922 CD ARG A 86 -20.593 4.290 -5.641 1.00 0.00 C ATOM 923 NE ARG A 86 -20.907 4.253 -7.069 1.00 0.00 N ATOM 924 CZ ARG A 86 -21.196 5.331 -7.810 1.00 0.00 C ATOM 925 NH1 ARG A 86 -21.078 6.552 -7.297 1.00 0.00 N ATOM 926 NH2 ARG A 86 -21.573 5.188 -9.073 1.00 0.00 N ATOM 0 H ARG A 86 -18.000 1.195 -4.324 1.00 0.00 H new ATOM 0 HA ARG A 86 -19.432 1.919 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -20.882 3.309 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.215 3.808 -3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.150 2.705 -5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -20.807 2.174 -5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -21.482 4.590 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -19.834 5.051 -5.461 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.906 3.344 -7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.766 6.672 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.300 7.368 -7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.643 4.256 -9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -21.793 6.010 -9.636 1.00 0.00 H new ATOM 940 N ALA A 87 -20.999 0.034 -2.117 1.00 0.00 N ATOM 941 CA ALA A 87 -21.928 -1.078 -2.231 1.00 0.00 C ATOM 942 C ALA A 87 -23.171 -0.663 -3.001 1.00 0.00 C ATOM 943 O ALA A 87 -23.621 -1.382 -3.891 1.00 0.00 O ATOM 944 CB ALA A 87 -22.299 -1.606 -0.850 1.00 0.00 C ATOM 0 H ALA A 87 -20.845 0.357 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 87 -21.439 -1.880 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -22.995 -2.438 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -21.400 -1.947 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -22.768 -0.811 -0.270 1.00 0.00 H new ATOM 950 N ALA A 88 -23.692 0.517 -2.655 1.00 0.00 N ATOM 951 CA ALA A 88 -24.886 1.098 -3.274 1.00 0.00 C ATOM 952 C ALA A 88 -26.097 0.183 -3.134 1.00 0.00 C ATOM 953 O ALA A 88 -26.436 -0.588 -4.044 1.00 0.00 O ATOM 954 CB ALA A 88 -24.644 1.508 -4.732 1.00 0.00 C ATOM 0 H ALA A 88 -23.289 1.105 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 88 -25.110 2.014 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -25.558 1.933 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -23.847 2.250 -4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -24.355 0.632 -5.313 1.00 0.00 H new ATOM 960 N GLY A 89 -26.707 0.236 -1.975 1.00 0.00 N ATOM 961 CA GLY A 89 -27.848 -0.590 -1.695 1.00 0.00 C ATOM 962 C GLY A 89 -27.828 -1.072 -0.266 1.00 0.00 C ATOM 963 O GLY A 89 -28.126 -0.296 0.651 1.00 0.00 O ATOM 0 H GLY A 89 -26.427 0.848 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -28.763 -0.027 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -27.857 -1.445 -2.371 1.00 0.00 H new ATOM 967 N MET A 90 -27.440 -2.336 -0.079 1.00 0.00 N ATOM 968 CA MET A 90 -27.363 -2.985 1.240 1.00 0.00 C ATOM 969 C MET A 90 -28.750 -3.100 1.882 1.00 0.00 C ATOM 970 O MET A 90 -29.257 -2.148 2.486 1.00 0.00 O ATOM 971 CB MET A 90 -26.362 -2.253 2.169 1.00 0.00 C ATOM 972 CG MET A 90 -26.224 -2.838 3.570 1.00 0.00 C ATOM 973 SD MET A 90 -25.613 -4.528 3.572 1.00 0.00 S ATOM 974 CE MET A 90 -25.521 -4.831 5.336 1.00 0.00 C ATOM 0 H MET A 90 -27.166 -2.949 -0.847 1.00 0.00 H new ATOM 0 HA MET A 90 -26.987 -3.997 1.092 1.00 0.00 H new ATOM 0 HB2 MET A 90 -25.381 -2.257 1.694 1.00 0.00 H new ATOM 0 HB3 MET A 90 -26.669 -1.211 2.257 1.00 0.00 H new ATOM 0 HG2 MET A 90 -25.548 -2.213 4.153 1.00 0.00 H new ATOM 0 HG3 MET A 90 -27.194 -2.808 4.067 1.00 0.00 H new ATOM 0 HE1 MET A 90 -25.225 -5.865 5.513 1.00 0.00 H new ATOM 0 HE2 MET A 90 -24.785 -4.162 5.782 1.00 0.00 H new ATOM 0 HE3 MET A 90 -26.497 -4.651 5.788 1.00 0.00 H new ATOM 984 N GLY A 91 -29.368 -4.251 1.720 1.00 0.00 N ATOM 985 CA GLY A 91 -30.702 -4.446 2.251 1.00 0.00 C ATOM 986 C GLY A 91 -30.773 -5.507 3.331 1.00 0.00 C ATOM 987 O GLY A 91 -31.832 -5.731 3.919 1.00 0.00 O ATOM 0 H GLY A 91 -28.976 -5.056 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -31.065 -3.501 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -31.372 -4.722 1.437 1.00 0.00 H new ATOM 991 N SER A 92 -29.665 -6.151 3.602 1.00 0.00 N ATOM 992 CA SER A 92 -29.638 -7.200 4.595 1.00 0.00 C ATOM 993 C SER A 92 -29.542 -6.622 6.012 1.00 0.00 C ATOM 994 O SER A 92 -28.470 -6.168 6.448 1.00 0.00 O ATOM 995 CB SER A 92 -28.501 -8.185 4.293 1.00 0.00 C ATOM 996 OG SER A 92 -27.251 -7.507 4.169 1.00 0.00 O ATOM 0 H SER A 92 -28.769 -5.969 3.150 1.00 0.00 H new ATOM 0 HA SER A 92 -30.577 -7.752 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 92 -28.438 -8.927 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 92 -28.718 -8.724 3.371 1.00 0.00 H new ATOM 0 HG SER A 92 -27.111 -6.933 4.951 1.00 0.00 H new ATOM 1002 N TYR A 93 -30.661 -6.606 6.705 1.00 0.00 N ATOM 1003 CA TYR A 93 -30.731 -6.076 8.041 1.00 0.00 C ATOM 1004 C TYR A 93 -31.853 -6.757 8.798 1.00 0.00 C ATOM 1005 O TYR A 93 -32.963 -6.931 8.269 1.00 0.00 O ATOM 1006 CB TYR A 93 -30.958 -4.561 7.992 1.00 0.00 C ATOM 1007 CG TYR A 93 -30.966 -3.866 9.345 1.00 0.00 C ATOM 1008 CD1 TYR A 93 -29.777 -3.529 9.974 1.00 0.00 C ATOM 1009 CD2 TYR A 93 -32.160 -3.531 9.977 1.00 0.00 C ATOM 1010 CE1 TYR A 93 -29.773 -2.884 11.192 1.00 0.00 C ATOM 1011 CE2 TYR A 93 -32.163 -2.887 11.201 1.00 0.00 C ATOM 1012 CZ TYR A 93 -30.967 -2.565 11.802 1.00 0.00 C ATOM 1013 OH TYR A 93 -30.959 -1.909 13.024 1.00 0.00 O ATOM 0 H TYR A 93 -31.549 -6.963 6.352 1.00 0.00 H new ATOM 0 HA TYR A 93 -29.790 -6.267 8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -30.179 -4.112 7.375 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -31.909 -4.368 7.496 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -28.838 -3.776 9.501 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -33.099 -3.778 9.504 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -28.837 -2.629 11.667 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -33.097 -2.638 11.682 1.00 0.00 H new ATOM 0 HH TYR A 93 -31.881 -1.756 13.319 1.00 0.00 H new ATOM 1023 N VAL A 94 -31.570 -7.150 9.998 1.00 0.00 N ATOM 1024 CA VAL A 94 -32.533 -7.794 10.839 1.00 0.00 C ATOM 1025 C VAL A 94 -33.210 -6.749 11.707 1.00 0.00 C ATOM 1026 O VAL A 94 -34.324 -6.310 11.358 1.00 0.00 O ATOM 1027 CB VAL A 94 -31.882 -8.882 11.733 1.00 0.00 C ATOM 1028 CG1 VAL A 94 -32.935 -9.598 12.561 1.00 0.00 C ATOM 1029 CG2 VAL A 94 -31.098 -9.880 10.890 1.00 0.00 C ATOM 0 H VAL A 94 -30.653 -7.032 10.429 1.00 0.00 H new ATOM 0 HA VAL A 94 -33.266 -8.290 10.203 1.00 0.00 H new ATOM 0 HB VAL A 94 -31.187 -8.388 12.412 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -32.457 -10.357 13.180 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -33.447 -8.878 13.199 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -33.658 -10.074 11.898 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -30.651 -10.633 11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -31.770 -10.365 10.181 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -30.312 -9.358 10.345 1.00 0.00 H new TER 1039 VAL A 94 HETATM 1040 ZN ZN A 117 2.877 1.925 3.324 1.00 0.00 ZN