USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 539 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 38 HIS HE2 : A 38 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 72 HIS HE2 : A 72 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 29 TYR OH : rot 180:sc= -0.359 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -5.45! C(o=-5.8!,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.17 K(o=-1.2,f=-4.9!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-6.6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -2.77! C(o=-5.5!,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 160:sc= -0.808 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 78:sc= 1.27 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 58:sc= 1.07 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 36:sc= 0.256 USER MOD Single : A 51 SER OG : rot 25:sc= 0.978 USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -0.0807 (180deg=-0.505) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0558 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -72:sc= 0.479 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.653 -23.982 -5.921 1.00 0.00 N ATOM 2 CA GLY A 1 18.482 -23.263 -6.388 1.00 0.00 C ATOM 3 C GLY A 1 18.406 -21.854 -5.833 1.00 0.00 C ATOM 4 O GLY A 1 19.303 -21.414 -5.114 1.00 0.00 O ATOM 0 H1 GLY A 1 20.202 -24.319 -6.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.243 -23.348 -5.345 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.354 -24.795 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.496 -23.221 -7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.585 -23.812 -6.102 1.00 0.00 H new ATOM 8 N SER A 2 17.334 -21.144 -6.169 1.00 0.00 N ATOM 9 CA SER A 2 17.148 -19.775 -5.703 1.00 0.00 C ATOM 10 C SER A 2 15.667 -19.465 -5.505 1.00 0.00 C ATOM 11 O SER A 2 14.804 -20.071 -6.140 1.00 0.00 O ATOM 12 CB SER A 2 17.758 -18.787 -6.700 1.00 0.00 C ATOM 13 OG SER A 2 17.966 -17.521 -6.101 1.00 0.00 O ATOM 0 H SER A 2 16.581 -21.494 -6.762 1.00 0.00 H new ATOM 0 HA SER A 2 17.655 -19.672 -4.743 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.706 -19.178 -7.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.099 -18.681 -7.561 1.00 0.00 H new ATOM 0 HG SER A 2 18.358 -16.909 -6.758 1.00 0.00 H new ATOM 19 N SER A 3 15.381 -18.517 -4.619 1.00 0.00 N ATOM 20 CA SER A 3 14.006 -18.128 -4.332 1.00 0.00 C ATOM 21 C SER A 3 13.874 -16.610 -4.258 1.00 0.00 C ATOM 22 O SER A 3 14.819 -15.910 -3.898 1.00 0.00 O ATOM 23 CB SER A 3 13.540 -18.756 -3.016 1.00 0.00 C ATOM 24 OG SER A 3 12.125 -18.785 -2.938 1.00 0.00 O ATOM 0 H SER A 3 16.084 -18.004 -4.087 1.00 0.00 H new ATOM 0 HA SER A 3 13.376 -18.491 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.933 -19.769 -2.934 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.942 -18.189 -2.176 1.00 0.00 H new ATOM 0 HG SER A 3 11.852 -19.192 -2.089 1.00 0.00 H new ATOM 30 N GLY A 4 12.693 -16.107 -4.605 1.00 0.00 N ATOM 31 CA GLY A 4 12.457 -14.675 -4.572 1.00 0.00 C ATOM 32 C GLY A 4 11.085 -14.326 -4.030 1.00 0.00 C ATOM 33 O GLY A 4 10.077 -14.497 -4.716 1.00 0.00 O ATOM 0 H GLY A 4 11.895 -16.666 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.220 -14.198 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.561 -14.269 -5.578 1.00 0.00 H new ATOM 37 N SER A 5 11.046 -13.834 -2.796 1.00 0.00 N ATOM 38 CA SER A 5 9.787 -13.464 -2.160 1.00 0.00 C ATOM 39 C SER A 5 9.419 -12.019 -2.483 1.00 0.00 C ATOM 40 O SER A 5 10.140 -11.088 -2.122 1.00 0.00 O ATOM 41 CB SER A 5 9.883 -13.652 -0.645 1.00 0.00 C ATOM 42 OG SER A 5 9.602 -14.991 -0.278 1.00 0.00 O ATOM 0 H SER A 5 11.872 -13.682 -2.217 1.00 0.00 H new ATOM 0 HA SER A 5 9.005 -14.115 -2.551 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.882 -13.380 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.183 -12.981 -0.147 1.00 0.00 H new ATOM 0 HG SER A 5 9.672 -15.085 0.695 1.00 0.00 H new ATOM 48 N SER A 6 8.294 -11.839 -3.166 1.00 0.00 N ATOM 49 CA SER A 6 7.831 -10.509 -3.543 1.00 0.00 C ATOM 50 C SER A 6 6.930 -9.922 -2.461 1.00 0.00 C ATOM 51 O SER A 6 6.197 -10.645 -1.787 1.00 0.00 O ATOM 52 CB SER A 6 7.080 -10.564 -4.873 1.00 0.00 C ATOM 53 OG SER A 6 6.052 -11.539 -4.839 1.00 0.00 O ATOM 0 H SER A 6 7.685 -12.599 -3.470 1.00 0.00 H new ATOM 0 HA SER A 6 8.704 -9.866 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.651 -9.586 -5.092 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.777 -10.794 -5.679 1.00 0.00 H new ATOM 0 HG SER A 6 5.586 -11.553 -5.701 1.00 0.00 H new ATOM 59 N GLY A 7 6.990 -8.603 -2.300 1.00 0.00 N ATOM 60 CA GLY A 7 6.175 -7.939 -1.299 1.00 0.00 C ATOM 61 C GLY A 7 6.004 -6.459 -1.579 1.00 0.00 C ATOM 62 O GLY A 7 6.669 -5.889 -2.443 1.00 0.00 O ATOM 0 H GLY A 7 7.589 -7.983 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.195 -8.414 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.632 -8.070 -0.318 1.00 0.00 H new ATOM 66 N PRO A 8 5.091 -5.815 -0.837 1.00 0.00 N ATOM 67 CA PRO A 8 4.813 -4.384 -0.992 1.00 0.00 C ATOM 68 C PRO A 8 5.967 -3.513 -0.508 1.00 0.00 C ATOM 69 O PRO A 8 6.804 -3.957 0.278 1.00 0.00 O ATOM 70 CB PRO A 8 3.575 -4.167 -0.119 1.00 0.00 C ATOM 71 CG PRO A 8 3.636 -5.253 0.901 1.00 0.00 C ATOM 72 CD PRO A 8 4.262 -6.432 0.212 1.00 0.00 C ATOM 0 HA PRO A 8 4.668 -4.107 -2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.588 -3.183 0.349 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.660 -4.228 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.227 -4.946 1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.640 -5.499 1.269 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.862 -7.027 0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.509 -7.097 -0.211 1.00 0.00 H new ATOM 80 N GLN A 9 6.003 -2.271 -0.981 1.00 0.00 N ATOM 81 CA GLN A 9 7.056 -1.338 -0.594 1.00 0.00 C ATOM 82 C GLN A 9 6.935 -0.961 0.879 1.00 0.00 C ATOM 83 O GLN A 9 7.934 -0.909 1.598 1.00 0.00 O ATOM 84 CB GLN A 9 6.993 -0.080 -1.462 1.00 0.00 C ATOM 85 CG GLN A 9 8.158 0.871 -1.238 1.00 0.00 C ATOM 86 CD GLN A 9 9.471 0.318 -1.753 1.00 0.00 C ATOM 87 OE1 GLN A 9 9.844 -0.815 -1.445 1.00 0.00 O ATOM 88 NE2 GLN A 9 10.182 1.114 -2.543 1.00 0.00 N ATOM 0 H GLN A 9 5.317 -1.888 -1.631 1.00 0.00 H new ATOM 0 HA GLN A 9 8.017 -1.829 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.970 -0.373 -2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.060 0.446 -1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.948 1.819 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.250 1.082 -0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.836 2.046 -2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.074 0.794 -2.920 1.00 0.00 H new ATOM 97 N ILE A 10 5.710 -0.700 1.319 1.00 0.00 N ATOM 98 CA ILE A 10 5.460 -0.329 2.706 1.00 0.00 C ATOM 99 C ILE A 10 6.302 0.877 3.112 1.00 0.00 C ATOM 100 O ILE A 10 6.934 0.878 4.170 1.00 0.00 O ATOM 101 CB ILE A 10 5.761 -1.497 3.664 1.00 0.00 C ATOM 102 CG1 ILE A 10 5.026 -2.760 3.210 1.00 0.00 C ATOM 103 CG2 ILE A 10 5.366 -1.130 5.087 1.00 0.00 C ATOM 104 CD1 ILE A 10 3.521 -2.619 3.221 1.00 0.00 C ATOM 0 H ILE A 10 4.874 -0.738 0.735 1.00 0.00 H new ATOM 0 HA ILE A 10 4.403 -0.073 2.779 1.00 0.00 H new ATOM 0 HB ILE A 10 6.832 -1.696 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.351 -3.018 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.310 -3.589 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.585 -1.965 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.930 -0.254 5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.300 -0.907 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.066 -3.552 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.184 -2.392 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.226 -1.812 2.551 1.00 0.00 H new ATOM 116 N ASP A 11 6.304 1.902 2.268 1.00 0.00 N ATOM 117 CA ASP A 11 7.065 3.116 2.539 1.00 0.00 C ATOM 118 C ASP A 11 6.169 4.196 3.136 1.00 0.00 C ATOM 119 O ASP A 11 6.510 4.810 4.147 1.00 0.00 O ATOM 120 CB ASP A 11 7.721 3.630 1.257 1.00 0.00 C ATOM 121 CG ASP A 11 9.117 3.074 1.057 1.00 0.00 C ATOM 122 OD1 ASP A 11 9.371 1.934 1.501 1.00 0.00 O ATOM 123 OD2 ASP A 11 9.955 3.778 0.457 1.00 0.00 O ATOM 0 H ASP A 11 5.787 1.917 1.389 1.00 0.00 H new ATOM 0 HA ASP A 11 7.843 2.874 3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.100 3.362 0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.768 4.719 1.288 1.00 0.00 H new ATOM 128 N SER A 12 5.023 4.425 2.503 1.00 0.00 N ATOM 129 CA SER A 12 4.080 5.435 2.969 1.00 0.00 C ATOM 130 C SER A 12 3.688 5.183 4.422 1.00 0.00 C ATOM 131 O SER A 12 3.986 4.129 4.983 1.00 0.00 O ATOM 132 CB SER A 12 2.831 5.442 2.086 1.00 0.00 C ATOM 133 OG SER A 12 2.202 4.172 2.080 1.00 0.00 O ATOM 0 H SER A 12 4.725 3.925 1.666 1.00 0.00 H new ATOM 0 HA SER A 12 4.567 6.408 2.906 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.131 6.196 2.447 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.103 5.721 1.068 1.00 0.00 H new ATOM 0 HG SER A 12 1.406 4.204 1.510 1.00 0.00 H new ATOM 139 N SER A 13 3.019 6.160 5.024 1.00 0.00 N ATOM 140 CA SER A 13 2.588 6.048 6.413 1.00 0.00 C ATOM 141 C SER A 13 1.391 5.112 6.537 1.00 0.00 C ATOM 142 O SER A 13 0.632 4.928 5.586 1.00 0.00 O ATOM 143 CB SER A 13 2.232 7.427 6.971 1.00 0.00 C ATOM 144 OG SER A 13 3.396 8.138 7.357 1.00 0.00 O ATOM 0 H SER A 13 2.763 7.038 4.572 1.00 0.00 H new ATOM 0 HA SER A 13 3.413 5.632 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.687 7.997 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.569 7.315 7.829 1.00 0.00 H new ATOM 0 HG SER A 13 3.141 9.017 7.709 1.00 0.00 H new ATOM 150 N ARG A 14 1.228 4.521 7.717 1.00 0.00 N ATOM 151 CA ARG A 14 0.123 3.603 7.966 1.00 0.00 C ATOM 152 C ARG A 14 -0.645 4.005 9.221 1.00 0.00 C ATOM 153 O ARG A 14 -0.055 4.215 10.281 1.00 0.00 O ATOM 154 CB ARG A 14 0.646 2.172 8.111 1.00 0.00 C ATOM 155 CG ARG A 14 1.431 1.685 6.904 1.00 0.00 C ATOM 156 CD ARG A 14 2.452 0.628 7.294 1.00 0.00 C ATOM 157 NE ARG A 14 3.493 1.166 8.164 1.00 0.00 N ATOM 158 CZ ARG A 14 4.581 1.782 7.715 1.00 0.00 C ATOM 159 NH1 ARG A 14 4.769 1.936 6.411 1.00 0.00 N ATOM 160 NH2 ARG A 14 5.484 2.245 8.570 1.00 0.00 N ATOM 0 H ARG A 14 1.847 4.662 8.515 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.556 3.651 7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.282 2.114 8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.197 1.502 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.745 1.274 6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.939 2.528 6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.947 -0.195 7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.909 0.216 6.394 1.00 0.00 H new ATOM 0 HE ARG A 14 3.379 1.063 9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.077 1.581 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.605 2.409 6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.343 2.128 9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.319 2.718 8.224 1.00 0.00 H new ATOM 174 N ILE A 15 -1.963 4.109 9.093 1.00 0.00 N ATOM 175 CA ILE A 15 -2.812 4.485 10.217 1.00 0.00 C ATOM 176 C ILE A 15 -3.742 3.342 10.610 1.00 0.00 C ATOM 177 O ILE A 15 -4.716 3.543 11.334 1.00 0.00 O ATOM 178 CB ILE A 15 -3.657 5.732 9.892 1.00 0.00 C ATOM 179 CG1 ILE A 15 -2.779 6.826 9.281 1.00 0.00 C ATOM 180 CG2 ILE A 15 -4.352 6.241 11.145 1.00 0.00 C ATOM 181 CD1 ILE A 15 -3.560 7.872 8.519 1.00 0.00 C ATOM 0 H ILE A 15 -2.466 3.938 8.222 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.149 4.713 11.051 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.419 5.456 9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.214 7.313 10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.053 6.366 8.610 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.945 7.122 10.900 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.005 5.463 11.541 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.605 6.504 11.894 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.873 8.615 8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.104 7.397 7.702 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.267 8.359 9.191 1.00 0.00 H new ATOM 193 N ARG A 16 -3.433 2.143 10.127 1.00 0.00 N ATOM 194 CA ARG A 16 -4.241 0.968 10.429 1.00 0.00 C ATOM 195 C ARG A 16 -4.440 0.816 11.934 1.00 0.00 C ATOM 196 O ARG A 16 -3.503 0.498 12.666 1.00 0.00 O ATOM 197 CB ARG A 16 -3.580 -0.290 9.861 1.00 0.00 C ATOM 198 CG ARG A 16 -2.242 -0.618 10.504 1.00 0.00 C ATOM 199 CD ARG A 16 -1.430 -1.573 9.643 1.00 0.00 C ATOM 200 NE ARG A 16 -1.227 -1.055 8.293 1.00 0.00 N ATOM 201 CZ ARG A 16 -1.033 -1.829 7.231 1.00 0.00 C ATOM 202 NH1 ARG A 16 -1.016 -3.148 7.361 1.00 0.00 N ATOM 203 NH2 ARG A 16 -0.856 -1.282 6.034 1.00 0.00 N ATOM 0 H ARG A 16 -2.630 1.960 9.526 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.218 1.100 9.963 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.254 -1.136 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.436 -0.162 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.678 0.301 10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.408 -1.062 11.485 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.462 -1.751 10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.940 -2.535 9.589 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.235 -0.044 8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.152 -3.572 8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.867 -3.739 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.869 -0.267 5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.707 -1.876 5.219 1.00 0.00 H new ATOM 217 N SER A 17 -5.668 1.045 12.389 1.00 0.00 N ATOM 218 CA SER A 17 -5.990 0.938 13.807 1.00 0.00 C ATOM 219 C SER A 17 -6.617 -0.416 14.122 1.00 0.00 C ATOM 220 O SER A 17 -5.990 -1.273 14.745 1.00 0.00 O ATOM 221 CB SER A 17 -6.941 2.062 14.222 1.00 0.00 C ATOM 222 OG SER A 17 -6.228 3.167 14.748 1.00 0.00 O ATOM 0 H SER A 17 -6.456 1.306 11.796 1.00 0.00 H new ATOM 0 HA SER A 17 -5.062 1.029 14.372 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.529 2.381 13.361 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.644 1.691 14.968 1.00 0.00 H new ATOM 0 HG SER A 17 -6.859 3.872 15.004 1.00 0.00 H new ATOM 228 N HIS A 18 -7.858 -0.603 13.685 1.00 0.00 N ATOM 229 CA HIS A 18 -8.572 -1.853 13.918 1.00 0.00 C ATOM 230 C HIS A 18 -7.766 -3.042 13.403 1.00 0.00 C ATOM 231 O HIS A 18 -7.577 -3.198 12.196 1.00 0.00 O ATOM 232 CB HIS A 18 -9.942 -1.817 13.242 1.00 0.00 C ATOM 233 CG HIS A 18 -10.984 -1.095 14.038 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.272 -1.563 14.192 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.923 0.068 14.728 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.959 -0.719 14.941 1.00 0.00 C ATOM 237 NE2 HIS A 18 -12.163 0.279 15.279 1.00 0.00 N ATOM 0 H HIS A 18 -8.391 0.096 13.167 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.711 -1.969 14.993 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.845 -1.338 12.268 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.277 -2.839 13.063 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.060 0.710 14.827 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.995 -0.827 15.228 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.427 1.078 15.856 1.00 0.00 H new ATOM 245 N ILE A 19 -7.296 -3.876 14.324 1.00 0.00 N ATOM 246 CA ILE A 19 -6.511 -5.050 13.960 1.00 0.00 C ATOM 247 C ILE A 19 -7.378 -6.305 13.942 1.00 0.00 C ATOM 248 O ILE A 19 -7.810 -6.789 14.988 1.00 0.00 O ATOM 249 CB ILE A 19 -5.337 -5.265 14.933 1.00 0.00 C ATOM 250 CG1 ILE A 19 -4.795 -3.919 15.418 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.236 -6.076 14.264 1.00 0.00 C ATOM 252 CD1 ILE A 19 -5.435 -3.435 16.700 1.00 0.00 C ATOM 0 H ILE A 19 -7.445 -3.761 15.327 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.115 -4.869 12.961 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.698 -5.823 15.797 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.719 -4.003 15.568 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.951 -3.172 14.639 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.413 -6.220 14.964 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.630 -7.047 13.964 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.875 -5.543 13.384 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.002 -2.476 16.983 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.508 -3.318 16.549 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.257 -4.162 17.493 1.00 0.00 H new ATOM 264 N CYS A 20 -7.626 -6.828 12.747 1.00 0.00 N ATOM 265 CA CYS A 20 -8.438 -8.028 12.590 1.00 0.00 C ATOM 266 C CYS A 20 -8.025 -9.101 13.594 1.00 0.00 C ATOM 267 O CYS A 20 -8.859 -9.861 14.085 1.00 0.00 O ATOM 268 CB CYS A 20 -8.314 -8.572 11.165 1.00 0.00 C ATOM 269 SG CYS A 20 -9.435 -9.960 10.798 1.00 0.00 S ATOM 0 H CYS A 20 -7.276 -6.439 11.872 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.477 -7.759 12.779 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.511 -7.764 10.461 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.286 -8.895 10.999 1.00 0.00 H new ATOM 274 N SER A 21 -6.731 -9.155 13.892 1.00 0.00 N ATOM 275 CA SER A 21 -6.205 -10.136 14.834 1.00 0.00 C ATOM 276 C SER A 21 -6.648 -11.546 14.456 1.00 0.00 C ATOM 277 O SER A 21 -6.911 -12.381 15.321 1.00 0.00 O ATOM 278 CB SER A 21 -6.667 -9.809 16.256 1.00 0.00 C ATOM 279 OG SER A 21 -5.785 -8.893 16.881 1.00 0.00 O ATOM 0 H SER A 21 -6.028 -8.532 13.495 1.00 0.00 H new ATOM 0 HA SER A 21 -5.117 -10.093 14.794 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.672 -9.389 16.227 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.721 -10.725 16.844 1.00 0.00 H new ATOM 0 HG SER A 21 -6.103 -8.699 17.787 1.00 0.00 H new ATOM 285 N HIS A 22 -6.731 -11.803 13.154 1.00 0.00 N ATOM 286 CA HIS A 22 -7.142 -13.112 12.657 1.00 0.00 C ATOM 287 C HIS A 22 -5.927 -13.970 12.318 1.00 0.00 C ATOM 288 O HIS A 22 -4.934 -13.494 11.769 1.00 0.00 O ATOM 289 CB HIS A 22 -8.032 -12.957 11.424 1.00 0.00 C ATOM 290 CG HIS A 22 -8.546 -14.258 10.889 1.00 0.00 C ATOM 291 ND1 HIS A 22 -7.895 -15.304 10.329 1.00 0.00 N flip ATOM 292 CD2 HIS A 22 -9.882 -14.599 10.895 1.00 0.00 C flip ATOM 293 CE1 HIS A 22 -8.840 -16.248 10.010 1.00 0.00 C flip ATOM 294 NE2 HIS A 22 -10.030 -15.798 10.361 1.00 0.00 N flip ATOM 0 H HIS A 22 -6.519 -11.122 12.424 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.709 -13.610 13.444 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.878 -12.317 11.675 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.469 -12.449 10.641 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.682 -13.982 11.277 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.642 -17.203 9.547 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.914 -16.292 10.240 1.00 0.00 H new ATOM 302 N PRO A 23 -6.006 -15.267 12.652 1.00 0.00 N ATOM 303 CA PRO A 23 -4.922 -16.219 12.393 1.00 0.00 C ATOM 304 C PRO A 23 -4.752 -16.512 10.905 1.00 0.00 C ATOM 305 O PRO A 23 -5.549 -17.235 10.309 1.00 0.00 O ATOM 306 CB PRO A 23 -5.370 -17.479 13.137 1.00 0.00 C ATOM 307 CG PRO A 23 -6.855 -17.373 13.203 1.00 0.00 C ATOM 308 CD PRO A 23 -7.160 -15.904 13.309 1.00 0.00 C ATOM 0 HA PRO A 23 -3.956 -15.835 12.721 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.061 -18.381 12.609 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.932 -17.527 14.134 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.317 -17.805 12.315 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.247 -17.916 14.063 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.096 -15.651 12.811 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.256 -15.588 14.348 1.00 0.00 H new ATOM 316 N GLY A 24 -3.707 -15.945 10.311 1.00 0.00 N ATOM 317 CA GLY A 24 -3.450 -16.157 8.898 1.00 0.00 C ATOM 318 C GLY A 24 -3.768 -14.935 8.061 1.00 0.00 C ATOM 319 O GLY A 24 -2.979 -14.539 7.201 1.00 0.00 O ATOM 0 H GLY A 24 -3.033 -15.342 10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.403 -16.426 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.045 -16.999 8.546 1.00 0.00 H new ATOM 323 N CYS A 25 -4.927 -14.333 8.310 1.00 0.00 N ATOM 324 CA CYS A 25 -5.349 -13.149 7.572 1.00 0.00 C ATOM 325 C CYS A 25 -4.484 -11.945 7.935 1.00 0.00 C ATOM 326 O CYS A 25 -3.770 -11.405 7.093 1.00 0.00 O ATOM 327 CB CYS A 25 -6.820 -12.840 7.860 1.00 0.00 C ATOM 328 SG CYS A 25 -7.228 -11.066 7.820 1.00 0.00 S ATOM 0 H CYS A 25 -5.591 -14.647 9.018 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.229 -13.353 6.508 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.439 -13.361 7.130 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.079 -13.239 8.841 1.00 0.00 H new ATOM 333 N GLY A 26 -4.555 -11.530 9.196 1.00 0.00 N ATOM 334 CA GLY A 26 -3.775 -10.395 9.649 1.00 0.00 C ATOM 335 C GLY A 26 -4.055 -9.141 8.843 1.00 0.00 C ATOM 336 O GLY A 26 -3.201 -8.676 8.087 1.00 0.00 O ATOM 0 H GLY A 26 -5.140 -11.961 9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.993 -10.204 10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.714 -10.637 9.582 1.00 0.00 H new ATOM 340 N LYS A 27 -5.254 -8.592 9.003 1.00 0.00 N ATOM 341 CA LYS A 27 -5.645 -7.385 8.285 1.00 0.00 C ATOM 342 C LYS A 27 -6.021 -6.272 9.257 1.00 0.00 C ATOM 343 O LYS A 27 -6.748 -6.497 10.225 1.00 0.00 O ATOM 344 CB LYS A 27 -6.822 -7.681 7.352 1.00 0.00 C ATOM 345 CG LYS A 27 -6.913 -6.734 6.167 1.00 0.00 C ATOM 346 CD LYS A 27 -6.055 -7.207 5.007 1.00 0.00 C ATOM 347 CE LYS A 27 -5.874 -6.115 3.965 1.00 0.00 C ATOM 348 NZ LYS A 27 -5.259 -6.638 2.714 1.00 0.00 N ATOM 0 H LYS A 27 -5.972 -8.964 9.624 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.793 -7.053 7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.734 -8.703 6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.749 -7.626 7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.951 -6.653 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.596 -5.737 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.080 -7.521 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.516 -8.080 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.841 -5.669 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.247 -5.323 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.152 -5.863 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.325 -7.041 2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.870 -7.376 2.309 1.00 0.00 H new ATOM 362 N THR A 28 -5.524 -5.067 8.991 1.00 0.00 N ATOM 363 CA THR A 28 -5.807 -3.918 9.841 1.00 0.00 C ATOM 364 C THR A 28 -6.241 -2.715 9.013 1.00 0.00 C ATOM 365 O THR A 28 -5.739 -2.495 7.909 1.00 0.00 O ATOM 366 CB THR A 28 -4.581 -3.530 10.688 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.007 -4.698 11.285 1.00 0.00 O ATOM 368 CG2 THR A 28 -4.965 -2.536 11.773 1.00 0.00 C ATOM 0 H THR A 28 -4.923 -4.863 8.193 1.00 0.00 H new ATOM 0 HA THR A 28 -6.620 -4.210 10.506 1.00 0.00 H new ATOM 0 HB THR A 28 -3.848 -3.061 10.031 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.080 -4.511 11.544 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.083 -2.277 12.358 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.373 -1.636 11.314 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.715 -2.982 12.426 1.00 0.00 H new ATOM 376 N TYR A 29 -7.175 -1.938 9.550 1.00 0.00 N ATOM 377 CA TYR A 29 -7.677 -0.756 8.858 1.00 0.00 C ATOM 378 C TYR A 29 -7.653 0.463 9.776 1.00 0.00 C ATOM 379 O TYR A 29 -7.667 0.333 11.000 1.00 0.00 O ATOM 380 CB TYR A 29 -9.100 -1.001 8.354 1.00 0.00 C ATOM 381 CG TYR A 29 -9.205 -2.146 7.371 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.366 -3.453 7.813 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.144 -1.920 6.002 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.462 -4.502 6.920 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.240 -2.963 5.101 1.00 0.00 C ATOM 386 CZ TYR A 29 -9.400 -4.251 5.565 1.00 0.00 C ATOM 387 OH TYR A 29 -9.495 -5.293 4.670 1.00 0.00 O ATOM 0 H TYR A 29 -7.600 -2.105 10.462 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.026 -0.560 8.006 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.749 -1.204 9.206 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.471 -0.092 7.881 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.417 -3.652 8.873 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.019 -0.912 5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.585 -5.513 7.280 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.190 -2.770 4.040 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.434 -4.945 3.756 1.00 0.00 H new ATOM 397 N PHE A 30 -7.617 1.647 9.174 1.00 0.00 N ATOM 398 CA PHE A 30 -7.592 2.891 9.934 1.00 0.00 C ATOM 399 C PHE A 30 -8.946 3.592 9.877 1.00 0.00 C ATOM 400 O PHE A 30 -9.149 4.628 10.511 1.00 0.00 O ATOM 401 CB PHE A 30 -6.501 3.819 9.397 1.00 0.00 C ATOM 402 CG PHE A 30 -6.890 4.532 8.132 1.00 0.00 C ATOM 403 CD1 PHE A 30 -7.734 5.630 8.172 1.00 0.00 C ATOM 404 CD2 PHE A 30 -6.410 4.103 6.905 1.00 0.00 C ATOM 405 CE1 PHE A 30 -8.094 6.285 7.009 1.00 0.00 C ATOM 406 CE2 PHE A 30 -6.766 4.755 5.740 1.00 0.00 C ATOM 407 CZ PHE A 30 -7.608 5.849 5.793 1.00 0.00 C ATOM 0 H PHE A 30 -7.604 1.771 8.162 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.373 2.648 10.974 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.255 4.557 10.160 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.598 3.237 9.214 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.114 5.978 9.121 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.750 3.249 6.859 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.755 7.138 7.052 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.387 4.410 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.886 6.362 4.884 1.00 0.00 H new ATOM 417 N LYS A 31 -9.870 3.019 9.113 1.00 0.00 N ATOM 418 CA LYS A 31 -11.206 3.586 8.972 1.00 0.00 C ATOM 419 C LYS A 31 -12.204 2.854 9.863 1.00 0.00 C ATOM 420 O LYS A 31 -13.410 3.093 9.788 1.00 0.00 O ATOM 421 CB LYS A 31 -11.661 3.516 7.513 1.00 0.00 C ATOM 422 CG LYS A 31 -11.271 4.736 6.695 1.00 0.00 C ATOM 423 CD LYS A 31 -12.200 5.907 6.964 1.00 0.00 C ATOM 424 CE LYS A 31 -11.655 7.198 6.373 1.00 0.00 C ATOM 425 NZ LYS A 31 -12.640 8.312 6.468 1.00 0.00 N ATOM 0 H LYS A 31 -9.718 2.162 8.582 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.165 4.630 9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.233 2.627 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.745 3.401 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.246 5.022 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.296 4.487 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.182 5.698 6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.335 6.026 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.739 7.478 6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.390 7.036 5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.230 9.174 6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.504 8.056 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.874 8.485 7.467 1.00 0.00 H new ATOM 439 N SER A 32 -11.696 1.961 10.705 1.00 0.00 N ATOM 440 CA SER A 32 -12.543 1.192 11.609 1.00 0.00 C ATOM 441 C SER A 32 -13.888 0.879 10.958 1.00 0.00 C ATOM 442 O SER A 32 -14.910 0.776 11.636 1.00 0.00 O ATOM 443 CB SER A 32 -12.763 1.960 12.914 1.00 0.00 C ATOM 444 OG SER A 32 -13.518 3.138 12.692 1.00 0.00 O ATOM 0 H SER A 32 -10.701 1.752 10.780 1.00 0.00 H new ATOM 0 HA SER A 32 -12.037 0.252 11.830 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.280 1.323 13.632 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.800 2.219 13.354 1.00 0.00 H new ATOM 0 HG SER A 32 -13.646 3.610 13.542 1.00 0.00 H new ATOM 450 N SER A 33 -13.878 0.731 9.637 1.00 0.00 N ATOM 451 CA SER A 33 -15.096 0.434 8.892 1.00 0.00 C ATOM 452 C SER A 33 -14.985 -0.913 8.184 1.00 0.00 C ATOM 453 O SER A 33 -15.954 -1.669 8.109 1.00 0.00 O ATOM 454 CB SER A 33 -15.376 1.538 7.870 1.00 0.00 C ATOM 455 OG SER A 33 -15.700 2.758 8.514 1.00 0.00 O ATOM 0 H SER A 33 -13.040 0.812 9.061 1.00 0.00 H new ATOM 0 HA SER A 33 -15.923 0.386 9.600 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.502 1.680 7.234 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.198 1.237 7.220 1.00 0.00 H new ATOM 0 HG SER A 33 -14.880 3.182 8.844 1.00 0.00 H new ATOM 461 N HIS A 34 -13.797 -1.207 7.667 1.00 0.00 N ATOM 462 CA HIS A 34 -13.557 -2.463 6.966 1.00 0.00 C ATOM 463 C HIS A 34 -13.797 -3.655 7.887 1.00 0.00 C ATOM 464 O HIS A 34 -14.645 -4.505 7.612 1.00 0.00 O ATOM 465 CB HIS A 34 -12.128 -2.504 6.421 1.00 0.00 C ATOM 466 CG HIS A 34 -12.019 -2.060 4.994 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.856 -2.939 3.944 1.00 0.00 N ATOM 468 CD2 HIS A 34 -12.051 -0.823 4.447 1.00 0.00 C ATOM 469 CE1 HIS A 34 -11.791 -2.261 2.813 1.00 0.00 C ATOM 470 NE2 HIS A 34 -11.906 -0.975 3.090 1.00 0.00 N ATOM 0 H HIS A 34 -12.985 -0.592 7.720 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.257 -2.524 6.133 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -11.493 -1.870 7.040 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -11.744 -3.520 6.507 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.169 0.110 4.978 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.665 -2.686 1.828 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.890 -0.218 2.407 1.00 0.00 H new ATOM 478 N LEU A 35 -13.045 -3.711 8.981 1.00 0.00 N ATOM 479 CA LEU A 35 -13.175 -4.798 9.944 1.00 0.00 C ATOM 480 C LEU A 35 -14.615 -5.298 10.011 1.00 0.00 C ATOM 481 O LEU A 35 -14.865 -6.503 10.038 1.00 0.00 O ATOM 482 CB LEU A 35 -12.719 -4.337 11.330 1.00 0.00 C ATOM 483 CG LEU A 35 -12.678 -5.412 12.415 1.00 0.00 C ATOM 484 CD1 LEU A 35 -11.570 -6.415 12.134 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.492 -4.779 13.786 1.00 0.00 C ATOM 0 H LEU A 35 -12.339 -3.016 9.223 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.539 -5.619 9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.723 -3.905 11.237 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.383 -3.539 11.662 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.630 -5.943 12.408 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.557 -7.172 12.918 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.748 -6.893 11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.610 -5.900 12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.465 -5.559 14.546 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.556 -4.221 13.805 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.322 -4.102 13.990 1.00 0.00 H new ATOM 497 N LYS A 36 -15.559 -4.364 10.033 1.00 0.00 N ATOM 498 CA LYS A 36 -16.975 -4.707 10.093 1.00 0.00 C ATOM 499 C LYS A 36 -17.410 -5.445 8.830 1.00 0.00 C ATOM 500 O LYS A 36 -17.976 -6.534 8.901 1.00 0.00 O ATOM 501 CB LYS A 36 -17.820 -3.444 10.274 1.00 0.00 C ATOM 502 CG LYS A 36 -19.316 -3.697 10.201 1.00 0.00 C ATOM 503 CD LYS A 36 -20.103 -2.397 10.210 1.00 0.00 C ATOM 504 CE LYS A 36 -21.549 -2.619 9.796 1.00 0.00 C ATOM 505 NZ LYS A 36 -22.379 -3.123 10.925 1.00 0.00 N ATOM 0 H LYS A 36 -15.369 -3.362 10.010 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.128 -5.365 10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.583 -2.993 11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.545 -2.720 9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.547 -4.257 9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.623 -4.315 11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.072 -1.959 11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.635 -1.682 9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.969 -1.683 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -21.585 -3.332 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.358 -3.261 10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.994 -4.029 11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -22.366 -2.431 11.702 1.00 0.00 H new ATOM 519 N ALA A 37 -17.138 -4.844 7.677 1.00 0.00 N ATOM 520 CA ALA A 37 -17.497 -5.446 6.399 1.00 0.00 C ATOM 521 C ALA A 37 -16.424 -6.423 5.931 1.00 0.00 C ATOM 522 O ALA A 37 -16.456 -6.900 4.796 1.00 0.00 O ATOM 523 CB ALA A 37 -17.724 -4.366 5.351 1.00 0.00 C ATOM 0 H ALA A 37 -16.670 -3.941 7.601 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.424 -6.003 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.991 -4.830 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -18.532 -3.710 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.811 -3.783 5.225 1.00 0.00 H new ATOM 529 N HIS A 38 -15.472 -6.716 6.811 1.00 0.00 N ATOM 530 CA HIS A 38 -14.389 -7.637 6.488 1.00 0.00 C ATOM 531 C HIS A 38 -14.433 -8.867 7.389 1.00 0.00 C ATOM 532 O HIS A 38 -13.888 -9.918 7.050 1.00 0.00 O ATOM 533 CB HIS A 38 -13.037 -6.935 6.628 1.00 0.00 C ATOM 534 CG HIS A 38 -11.885 -7.880 6.786 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.093 -8.283 5.731 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.393 -8.502 7.883 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.165 -9.113 6.174 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.324 -9.261 7.476 1.00 0.00 N ATOM 0 H HIS A 38 -15.429 -6.329 7.754 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.517 -7.962 5.455 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.868 -6.312 5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.070 -6.268 7.490 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.206 -7.987 4.761 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.771 -8.417 8.891 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.405 -9.590 5.573 1.00 0.00 H new ATOM 546 N THR A 39 -15.085 -8.729 8.539 1.00 0.00 N ATOM 547 CA THR A 39 -15.200 -9.828 9.490 1.00 0.00 C ATOM 548 C THR A 39 -16.355 -10.753 9.125 1.00 0.00 C ATOM 549 O THR A 39 -16.292 -11.960 9.353 1.00 0.00 O ATOM 550 CB THR A 39 -15.405 -9.309 10.925 1.00 0.00 C ATOM 551 OG1 THR A 39 -14.300 -8.485 11.311 1.00 0.00 O ATOM 552 CG2 THR A 39 -15.547 -10.467 11.903 1.00 0.00 C ATOM 0 H THR A 39 -15.542 -7.866 8.835 1.00 0.00 H new ATOM 0 HA THR A 39 -14.265 -10.386 9.444 1.00 0.00 H new ATOM 0 HB THR A 39 -16.322 -8.720 10.948 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.215 -7.737 10.684 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.691 -10.077 12.911 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.407 -11.076 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.645 -11.079 11.876 1.00 0.00 H new ATOM 560 N ARG A 40 -17.411 -10.177 8.557 1.00 0.00 N ATOM 561 CA ARG A 40 -18.581 -10.951 8.161 1.00 0.00 C ATOM 562 C ARG A 40 -18.173 -12.183 7.359 1.00 0.00 C ATOM 563 O ARG A 40 -18.620 -13.297 7.639 1.00 0.00 O ATOM 564 CB ARG A 40 -19.535 -10.085 7.335 1.00 0.00 C ATOM 565 CG ARG A 40 -20.151 -8.939 8.120 1.00 0.00 C ATOM 566 CD ARG A 40 -21.304 -8.301 7.361 1.00 0.00 C ATOM 567 NE ARG A 40 -20.838 -7.344 6.361 1.00 0.00 N ATOM 568 CZ ARG A 40 -21.650 -6.679 5.546 1.00 0.00 C ATOM 569 NH1 ARG A 40 -22.961 -6.866 5.613 1.00 0.00 N ATOM 570 NH2 ARG A 40 -21.150 -5.825 4.662 1.00 0.00 N ATOM 0 H ARG A 40 -17.479 -9.178 8.361 1.00 0.00 H new ATOM 0 HA ARG A 40 -19.091 -11.281 9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.995 -9.679 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -20.333 -10.714 6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.506 -9.306 9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.389 -8.187 8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -21.891 -9.079 6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -21.966 -7.797 8.065 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.835 -7.177 6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -23.349 -7.522 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.582 -6.354 4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.142 -5.679 4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.774 -5.315 4.037 1.00 0.00 H new ATOM 584 N THR A 41 -17.320 -11.978 6.360 1.00 0.00 N ATOM 585 CA THR A 41 -16.852 -13.071 5.517 1.00 0.00 C ATOM 586 C THR A 41 -16.085 -14.105 6.333 1.00 0.00 C ATOM 587 O THR A 41 -16.217 -15.309 6.111 1.00 0.00 O ATOM 588 CB THR A 41 -15.950 -12.557 4.380 1.00 0.00 C ATOM 589 OG1 THR A 41 -15.578 -13.641 3.522 1.00 0.00 O ATOM 590 CG2 THR A 41 -14.699 -11.895 4.940 1.00 0.00 C ATOM 0 H THR A 41 -16.939 -11.064 6.115 1.00 0.00 H new ATOM 0 HA THR A 41 -17.737 -13.538 5.085 1.00 0.00 H new ATOM 0 HB THR A 41 -16.509 -11.817 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.006 -13.306 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.077 -11.540 4.119 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.984 -11.053 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.139 -12.618 5.533 1.00 0.00 H new ATOM 598 N HIS A 42 -15.281 -13.628 7.278 1.00 0.00 N ATOM 599 CA HIS A 42 -14.492 -14.511 8.129 1.00 0.00 C ATOM 600 C HIS A 42 -15.382 -15.550 8.806 1.00 0.00 C ATOM 601 O HIS A 42 -15.114 -16.751 8.739 1.00 0.00 O ATOM 602 CB HIS A 42 -13.741 -13.702 9.185 1.00 0.00 C ATOM 603 CG HIS A 42 -12.365 -13.292 8.759 1.00 0.00 C ATOM 604 ND1 HIS A 42 -11.535 -14.103 8.013 1.00 0.00 N ATOM 605 CD2 HIS A 42 -11.674 -12.148 8.977 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.393 -13.476 7.791 1.00 0.00 C ATOM 607 NE2 HIS A 42 -10.452 -12.288 8.365 1.00 0.00 N ATOM 0 H HIS A 42 -15.159 -12.634 7.474 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.769 -15.030 7.499 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.319 -12.810 9.426 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.669 -14.291 10.099 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -11.767 -15.040 7.684 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.019 -11.286 9.529 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.554 -13.868 7.235 1.00 0.00 H new ATOM 615 N THR A 43 -16.440 -15.082 9.459 1.00 0.00 N ATOM 616 CA THR A 43 -17.367 -15.969 10.150 1.00 0.00 C ATOM 617 C THR A 43 -18.180 -16.793 9.158 1.00 0.00 C ATOM 618 O THR A 43 -18.506 -16.327 8.068 1.00 0.00 O ATOM 619 CB THR A 43 -18.330 -15.179 11.055 1.00 0.00 C ATOM 620 OG1 THR A 43 -19.150 -16.084 11.805 1.00 0.00 O ATOM 621 CG2 THR A 43 -19.212 -14.253 10.231 1.00 0.00 C ATOM 0 H THR A 43 -16.677 -14.092 9.524 1.00 0.00 H new ATOM 0 HA THR A 43 -16.766 -16.637 10.767 1.00 0.00 H new ATOM 0 HB THR A 43 -17.736 -14.574 11.739 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.759 -15.574 12.380 1.00 0.00 H new ATOM 0 HG21 THR A 43 -19.883 -13.706 10.893 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.587 -13.547 9.684 1.00 0.00 H new ATOM 0 HG23 THR A 43 -19.798 -14.842 9.525 1.00 0.00 H new ATOM 629 N GLY A 44 -18.507 -18.023 9.545 1.00 0.00 N ATOM 630 CA GLY A 44 -19.279 -18.893 8.678 1.00 0.00 C ATOM 631 C GLY A 44 -18.680 -20.281 8.566 1.00 0.00 C ATOM 632 O GLY A 44 -18.039 -20.607 7.568 1.00 0.00 O ATOM 0 H GLY A 44 -18.251 -18.432 10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -20.297 -18.970 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -19.343 -18.447 7.685 1.00 0.00 H new ATOM 636 N GLU A 45 -18.889 -21.099 9.592 1.00 0.00 N ATOM 637 CA GLU A 45 -18.362 -22.459 9.603 1.00 0.00 C ATOM 638 C GLU A 45 -19.264 -23.398 8.810 1.00 0.00 C ATOM 639 O GLU A 45 -18.792 -24.183 7.986 1.00 0.00 O ATOM 640 CB GLU A 45 -18.222 -22.963 11.042 1.00 0.00 C ATOM 641 CG GLU A 45 -17.269 -22.135 11.887 1.00 0.00 C ATOM 642 CD GLU A 45 -17.065 -22.713 13.273 1.00 0.00 C ATOM 643 OE1 GLU A 45 -18.070 -23.069 13.922 1.00 0.00 O ATOM 644 OE2 GLU A 45 -15.898 -22.810 13.709 1.00 0.00 O ATOM 0 H GLU A 45 -19.419 -20.845 10.426 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.379 -22.445 9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -19.204 -22.965 11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.874 -23.996 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.306 -22.067 11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.656 -21.120 11.974 1.00 0.00 H new ATOM 651 N LYS A 46 -20.566 -23.314 9.062 1.00 0.00 N ATOM 652 CA LYS A 46 -21.536 -24.156 8.372 1.00 0.00 C ATOM 653 C LYS A 46 -21.600 -23.808 6.888 1.00 0.00 C ATOM 654 O LYS A 46 -22.051 -22.732 6.497 1.00 0.00 O ATOM 655 CB LYS A 46 -22.921 -23.997 9.004 1.00 0.00 C ATOM 656 CG LYS A 46 -23.047 -24.656 10.366 1.00 0.00 C ATOM 657 CD LYS A 46 -22.512 -23.761 11.471 1.00 0.00 C ATOM 658 CE LYS A 46 -22.705 -24.392 12.842 1.00 0.00 C ATOM 659 NZ LYS A 46 -21.711 -23.887 13.829 1.00 0.00 N ATOM 0 H LYS A 46 -20.974 -22.670 9.740 1.00 0.00 H new ATOM 0 HA LYS A 46 -21.215 -25.193 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -23.147 -22.935 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -23.668 -24.422 8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.093 -24.891 10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -22.503 -25.600 10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -21.452 -23.569 11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -23.020 -22.797 11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -23.712 -24.181 13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -22.617 -25.475 12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.875 -24.340 14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.750 -24.111 13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.812 -22.857 13.927 1.00 0.00 H new ATOM 673 N PRO A 47 -21.138 -24.740 6.041 1.00 0.00 N ATOM 674 CA PRO A 47 -21.135 -24.555 4.587 1.00 0.00 C ATOM 675 C PRO A 47 -22.541 -24.572 3.996 1.00 0.00 C ATOM 676 O PRO A 47 -22.793 -23.975 2.949 1.00 0.00 O ATOM 677 CB PRO A 47 -20.327 -25.752 4.079 1.00 0.00 C ATOM 678 CG PRO A 47 -20.486 -26.791 5.135 1.00 0.00 C ATOM 679 CD PRO A 47 -20.587 -26.047 6.437 1.00 0.00 C ATOM 0 HA PRO A 47 -20.719 -23.589 4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -20.702 -26.104 3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.279 -25.490 3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -21.378 -27.393 4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -19.637 -27.474 5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.239 -26.560 7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -19.614 -25.944 6.918 1.00 0.00 H new ATOM 687 N PHE A 48 -23.454 -25.260 4.674 1.00 0.00 N ATOM 688 CA PHE A 48 -24.835 -25.355 4.216 1.00 0.00 C ATOM 689 C PHE A 48 -25.708 -24.307 4.899 1.00 0.00 C ATOM 690 O PHE A 48 -26.934 -24.418 4.913 1.00 0.00 O ATOM 691 CB PHE A 48 -25.390 -26.755 4.490 1.00 0.00 C ATOM 692 CG PHE A 48 -25.034 -27.759 3.431 1.00 0.00 C ATOM 693 CD1 PHE A 48 -25.730 -27.800 2.234 1.00 0.00 C ATOM 694 CD2 PHE A 48 -24.002 -28.662 3.633 1.00 0.00 C ATOM 695 CE1 PHE A 48 -25.404 -28.722 1.257 1.00 0.00 C ATOM 696 CE2 PHE A 48 -23.673 -29.587 2.660 1.00 0.00 C ATOM 697 CZ PHE A 48 -24.375 -29.617 1.472 1.00 0.00 C ATOM 0 H PHE A 48 -23.262 -25.760 5.542 1.00 0.00 H new ATOM 0 HA PHE A 48 -24.849 -25.170 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -25.014 -27.104 5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -26.475 -26.697 4.574 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.537 -27.103 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -23.449 -28.643 4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -25.953 -28.742 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -22.867 -30.286 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 48 -24.120 -30.340 0.711 1.00 0.00 H new ATOM 707 N SER A 49 -25.067 -23.290 5.465 1.00 0.00 N ATOM 708 CA SER A 49 -25.784 -22.223 6.154 1.00 0.00 C ATOM 709 C SER A 49 -26.879 -21.642 5.265 1.00 0.00 C ATOM 710 O SER A 49 -26.612 -21.167 4.160 1.00 0.00 O ATOM 711 CB SER A 49 -24.814 -21.118 6.576 1.00 0.00 C ATOM 712 OG SER A 49 -24.097 -20.615 5.462 1.00 0.00 O ATOM 0 H SER A 49 -24.053 -23.182 5.460 1.00 0.00 H new ATOM 0 HA SER A 49 -26.250 -22.647 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 49 -25.366 -20.308 7.053 1.00 0.00 H new ATOM 0 HB3 SER A 49 -24.115 -21.507 7.317 1.00 0.00 H new ATOM 0 HG SER A 49 -24.683 -20.598 4.677 1.00 0.00 H new ATOM 718 N CYS A 50 -28.114 -21.682 5.755 1.00 0.00 N ATOM 719 CA CYS A 50 -29.251 -21.161 5.006 1.00 0.00 C ATOM 720 C CYS A 50 -29.093 -19.664 4.748 1.00 0.00 C ATOM 721 O CYS A 50 -28.287 -18.994 5.395 1.00 0.00 O ATOM 722 CB CYS A 50 -30.552 -21.423 5.767 1.00 0.00 C ATOM 723 SG CYS A 50 -32.036 -21.462 4.711 1.00 0.00 S ATOM 0 H CYS A 50 -28.352 -22.070 6.668 1.00 0.00 H new ATOM 0 HA CYS A 50 -29.289 -21.676 4.046 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -30.468 -22.374 6.292 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -30.679 -20.650 6.525 1.00 0.00 H new ATOM 728 N SER A 51 -29.868 -19.148 3.800 1.00 0.00 N ATOM 729 CA SER A 51 -29.812 -17.732 3.455 1.00 0.00 C ATOM 730 C SER A 51 -31.170 -17.240 2.963 1.00 0.00 C ATOM 731 O SER A 51 -31.605 -17.581 1.864 1.00 0.00 O ATOM 732 CB SER A 51 -28.749 -17.489 2.381 1.00 0.00 C ATOM 733 OG SER A 51 -29.139 -18.053 1.141 1.00 0.00 O ATOM 0 H SER A 51 -30.542 -19.688 3.257 1.00 0.00 H new ATOM 0 HA SER A 51 -29.546 -17.174 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 51 -28.586 -16.418 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 51 -27.801 -17.922 2.699 1.00 0.00 H new ATOM 0 HG SER A 51 -30.116 -18.126 1.107 1.00 0.00 H new ATOM 739 N TRP A 52 -31.832 -16.435 3.785 1.00 0.00 N ATOM 740 CA TRP A 52 -33.141 -15.894 3.435 1.00 0.00 C ATOM 741 C TRP A 52 -33.306 -14.477 3.974 1.00 0.00 C ATOM 742 O TRP A 52 -32.460 -13.983 4.719 1.00 0.00 O ATOM 743 CB TRP A 52 -34.251 -16.793 3.983 1.00 0.00 C ATOM 744 CG TRP A 52 -35.607 -16.461 3.440 1.00 0.00 C ATOM 745 CD1 TRP A 52 -36.738 -16.201 4.161 1.00 0.00 C ATOM 746 CD2 TRP A 52 -35.976 -16.355 2.060 1.00 0.00 C ATOM 747 NE1 TRP A 52 -37.787 -15.939 3.313 1.00 0.00 N ATOM 748 CE2 TRP A 52 -37.345 -16.027 2.019 1.00 0.00 C ATOM 749 CE3 TRP A 52 -35.282 -16.503 0.857 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -38.032 -15.846 0.821 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -35.965 -16.324 -0.331 1.00 0.00 C ATOM 752 CH2 TRP A 52 -37.328 -15.997 -0.342 1.00 0.00 C ATOM 0 H TRP A 52 -31.485 -16.142 4.698 1.00 0.00 H new ATOM 0 HA TRP A 52 -33.214 -15.861 2.348 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -34.017 -17.831 3.747 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -34.272 -16.710 5.070 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -36.799 -16.201 5.239 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -38.740 -15.715 3.600 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -34.231 -16.753 0.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -39.082 -15.596 0.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -35.439 -16.438 -1.267 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -37.832 -15.862 -1.287 1.00 0.00 H new ATOM 763 N LYS A 53 -34.401 -13.828 3.593 1.00 0.00 N ATOM 764 CA LYS A 53 -34.679 -12.468 4.039 1.00 0.00 C ATOM 765 C LYS A 53 -34.492 -12.341 5.548 1.00 0.00 C ATOM 766 O LYS A 53 -33.926 -11.362 6.032 1.00 0.00 O ATOM 767 CB LYS A 53 -36.104 -12.064 3.655 1.00 0.00 C ATOM 768 CG LYS A 53 -36.214 -11.469 2.262 1.00 0.00 C ATOM 769 CD LYS A 53 -37.645 -11.077 1.934 1.00 0.00 C ATOM 770 CE LYS A 53 -37.957 -9.663 2.399 1.00 0.00 C ATOM 771 NZ LYS A 53 -37.171 -8.647 1.646 1.00 0.00 N ATOM 0 H LYS A 53 -35.111 -14.222 2.976 1.00 0.00 H new ATOM 0 HA LYS A 53 -33.973 -11.800 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -36.750 -12.939 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -36.475 -11.340 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -35.570 -10.593 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -35.856 -12.191 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -37.806 -11.151 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -38.333 -11.777 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -39.022 -9.466 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -37.740 -9.574 3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -37.675 -7.737 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -36.237 -8.533 2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -37.052 -8.960 0.661 1.00 0.00 H new ATOM 785 N GLY A 54 -34.970 -13.338 6.285 1.00 0.00 N ATOM 786 CA GLY A 54 -34.844 -13.319 7.731 1.00 0.00 C ATOM 787 C GLY A 54 -34.618 -14.701 8.311 1.00 0.00 C ATOM 788 O GLY A 54 -35.323 -15.119 9.231 1.00 0.00 O ATOM 0 H GLY A 54 -35.443 -14.159 5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -34.014 -12.670 8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -35.746 -12.889 8.166 1.00 0.00 H new ATOM 792 N CYS A 55 -33.634 -15.413 7.774 1.00 0.00 N ATOM 793 CA CYS A 55 -33.317 -16.757 8.243 1.00 0.00 C ATOM 794 C CYS A 55 -31.872 -16.838 8.724 1.00 0.00 C ATOM 795 O CYS A 55 -30.941 -16.539 7.979 1.00 0.00 O ATOM 796 CB CYS A 55 -33.554 -17.778 7.128 1.00 0.00 C ATOM 797 SG CYS A 55 -33.153 -19.492 7.592 1.00 0.00 S ATOM 0 H CYS A 55 -33.041 -15.082 7.013 1.00 0.00 H new ATOM 0 HA CYS A 55 -33.974 -16.987 9.082 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -34.599 -17.731 6.823 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -32.956 -17.498 6.261 1.00 0.00 H new ATOM 802 N GLU A 56 -31.694 -17.247 9.978 1.00 0.00 N ATOM 803 CA GLU A 56 -30.362 -17.368 10.559 1.00 0.00 C ATOM 804 C GLU A 56 -30.014 -18.831 10.822 1.00 0.00 C ATOM 805 O GLU A 56 -29.049 -19.133 11.524 1.00 0.00 O ATOM 806 CB GLU A 56 -30.275 -16.569 11.861 1.00 0.00 C ATOM 807 CG GLU A 56 -30.318 -15.064 11.656 1.00 0.00 C ATOM 808 CD GLU A 56 -30.040 -14.294 12.931 1.00 0.00 C ATOM 809 OE1 GLU A 56 -30.844 -14.405 13.880 1.00 0.00 O ATOM 810 OE2 GLU A 56 -29.017 -13.579 12.980 1.00 0.00 O ATOM 0 H GLU A 56 -32.455 -17.499 10.609 1.00 0.00 H new ATOM 0 HA GLU A 56 -29.644 -16.965 9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -31.098 -16.862 12.513 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -29.351 -16.831 12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -29.586 -14.783 10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -31.298 -14.781 11.272 1.00 0.00 H new ATOM 817 N ARG A 57 -30.807 -19.733 10.254 1.00 0.00 N ATOM 818 CA ARG A 57 -30.584 -21.163 10.429 1.00 0.00 C ATOM 819 C ARG A 57 -29.345 -21.618 9.662 1.00 0.00 C ATOM 820 O ARG A 57 -29.179 -21.296 8.486 1.00 0.00 O ATOM 821 CB ARG A 57 -31.808 -21.952 9.958 1.00 0.00 C ATOM 822 CG ARG A 57 -32.933 -21.998 10.977 1.00 0.00 C ATOM 823 CD ARG A 57 -32.581 -22.891 12.156 1.00 0.00 C ATOM 824 NE ARG A 57 -33.327 -22.530 13.359 1.00 0.00 N ATOM 825 CZ ARG A 57 -33.603 -23.385 14.338 1.00 0.00 C ATOM 826 NH1 ARG A 57 -33.197 -24.644 14.256 1.00 0.00 N ATOM 827 NH2 ARG A 57 -34.287 -22.980 15.400 1.00 0.00 N ATOM 0 H ARG A 57 -31.609 -19.499 9.669 1.00 0.00 H new ATOM 0 HA ARG A 57 -30.423 -21.354 11.490 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -32.183 -21.508 9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -31.503 -22.971 9.720 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -33.144 -20.990 11.333 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -33.842 -22.364 10.500 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -32.789 -23.930 11.899 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -31.512 -22.820 12.358 1.00 0.00 H new ATOM 0 HE ARG A 57 -33.654 -21.568 13.453 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -32.672 -24.958 13.440 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -33.410 -25.299 15.009 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -34.601 -22.012 15.465 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -34.499 -23.637 16.151 1.00 0.00 H new ATOM 841 N ARG A 58 -28.481 -22.367 10.338 1.00 0.00 N ATOM 842 CA ARG A 58 -27.256 -22.864 9.722 1.00 0.00 C ATOM 843 C ARG A 58 -26.997 -24.315 10.121 1.00 0.00 C ATOM 844 O ARG A 58 -27.090 -24.672 11.295 1.00 0.00 O ATOM 845 CB ARG A 58 -26.066 -21.993 10.124 1.00 0.00 C ATOM 846 CG ARG A 58 -26.235 -20.527 9.761 1.00 0.00 C ATOM 847 CD ARG A 58 -24.898 -19.803 9.730 1.00 0.00 C ATOM 848 NE ARG A 58 -25.049 -18.364 9.935 1.00 0.00 N ATOM 849 CZ ARG A 58 -25.139 -17.798 11.133 1.00 0.00 C ATOM 850 NH1 ARG A 58 -25.094 -18.545 12.228 1.00 0.00 N ATOM 851 NH2 ARG A 58 -25.275 -16.483 11.239 1.00 0.00 N ATOM 0 H ARG A 58 -28.606 -22.643 11.312 1.00 0.00 H new ATOM 0 HA ARG A 58 -27.380 -22.819 8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -25.912 -22.077 11.200 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -25.167 -22.377 9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -26.717 -20.446 8.787 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -26.894 -20.046 10.484 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -24.246 -20.213 10.502 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -24.410 -19.983 8.772 1.00 0.00 H new ATOM 0 HE ARG A 58 -25.087 -17.761 9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -24.990 -19.557 12.151 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -25.163 -18.108 13.147 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -25.311 -15.905 10.400 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -25.344 -16.050 12.160 1.00 0.00 H new ATOM 865 N PHE A 59 -26.671 -25.145 9.136 1.00 0.00 N ATOM 866 CA PHE A 59 -26.401 -26.556 9.384 1.00 0.00 C ATOM 867 C PHE A 59 -25.131 -27.000 8.663 1.00 0.00 C ATOM 868 O PHE A 59 -24.721 -26.393 7.675 1.00 0.00 O ATOM 869 CB PHE A 59 -27.584 -27.413 8.932 1.00 0.00 C ATOM 870 CG PHE A 59 -28.917 -26.864 9.355 1.00 0.00 C ATOM 871 CD1 PHE A 59 -29.458 -27.194 10.586 1.00 0.00 C ATOM 872 CD2 PHE A 59 -29.629 -26.018 8.519 1.00 0.00 C ATOM 873 CE1 PHE A 59 -30.684 -26.691 10.979 1.00 0.00 C ATOM 874 CE2 PHE A 59 -30.855 -25.511 8.906 1.00 0.00 C ATOM 875 CZ PHE A 59 -31.384 -25.849 10.136 1.00 0.00 C ATOM 0 H PHE A 59 -26.587 -24.865 8.159 1.00 0.00 H new ATOM 0 HA PHE A 59 -26.256 -26.689 10.456 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -27.564 -27.502 7.846 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -27.469 -28.419 9.336 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -28.915 -27.853 11.248 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -29.221 -25.752 7.555 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -31.094 -26.955 11.943 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -31.399 -24.851 8.247 1.00 0.00 H new ATOM 0 HZ PHE A 59 -32.343 -25.456 10.439 1.00 0.00 H new ATOM 885 N ALA A 60 -24.514 -28.066 9.165 1.00 0.00 N ATOM 886 CA ALA A 60 -23.293 -28.593 8.570 1.00 0.00 C ATOM 887 C ALA A 60 -23.610 -29.615 7.483 1.00 0.00 C ATOM 888 O ALA A 60 -22.966 -29.639 6.434 1.00 0.00 O ATOM 889 CB ALA A 60 -22.409 -29.215 9.640 1.00 0.00 C ATOM 0 H ALA A 60 -24.841 -28.581 9.983 1.00 0.00 H new ATOM 0 HA ALA A 60 -22.756 -27.764 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -21.501 -29.604 9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -22.146 -28.459 10.380 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -22.946 -30.028 10.128 1.00 0.00 H new ATOM 895 N ARG A 61 -24.604 -30.457 7.741 1.00 0.00 N ATOM 896 CA ARG A 61 -25.005 -31.483 6.786 1.00 0.00 C ATOM 897 C ARG A 61 -25.924 -30.900 5.716 1.00 0.00 C ATOM 898 O ARG A 61 -26.394 -29.769 5.837 1.00 0.00 O ATOM 899 CB ARG A 61 -25.709 -32.634 7.506 1.00 0.00 C ATOM 900 CG ARG A 61 -24.760 -33.712 8.003 1.00 0.00 C ATOM 901 CD ARG A 61 -24.078 -33.300 9.299 1.00 0.00 C ATOM 902 NE ARG A 61 -25.035 -33.111 10.384 1.00 0.00 N ATOM 903 CZ ARG A 61 -24.719 -33.222 11.670 1.00 0.00 C ATOM 904 NH1 ARG A 61 -23.479 -33.519 12.028 1.00 0.00 N ATOM 905 NH2 ARG A 61 -25.646 -33.035 12.601 1.00 0.00 N ATOM 0 H ARG A 61 -25.147 -30.449 8.604 1.00 0.00 H new ATOM 0 HA ARG A 61 -24.106 -31.863 6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -26.267 -32.235 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -26.435 -33.085 6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -25.311 -34.639 8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -24.006 -33.914 7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -23.352 -34.061 9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -23.524 -32.375 9.139 1.00 0.00 H new ATOM 0 HE ARG A 61 -25.999 -32.881 10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -22.763 -33.663 11.316 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -23.240 -33.603 13.016 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -26.602 -32.806 12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -25.402 -33.120 13.588 1.00 0.00 H new ATOM 919 N SER A 62 -26.176 -31.681 4.670 1.00 0.00 N ATOM 920 CA SER A 62 -27.036 -31.241 3.577 1.00 0.00 C ATOM 921 C SER A 62 -28.494 -31.594 3.857 1.00 0.00 C ATOM 922 O SER A 62 -29.385 -30.758 3.706 1.00 0.00 O ATOM 923 CB SER A 62 -26.588 -31.878 2.261 1.00 0.00 C ATOM 924 OG SER A 62 -26.670 -33.292 2.325 1.00 0.00 O ATOM 0 H SER A 62 -25.797 -32.621 4.556 1.00 0.00 H new ATOM 0 HA SER A 62 -26.953 -30.157 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 62 -27.211 -31.511 1.445 1.00 0.00 H new ATOM 0 HB3 SER A 62 -25.563 -31.580 2.039 1.00 0.00 H new ATOM 0 HG SER A 62 -26.380 -33.675 1.471 1.00 0.00 H new ATOM 930 N ASP A 63 -28.727 -32.836 4.266 1.00 0.00 N ATOM 931 CA ASP A 63 -30.076 -33.301 4.567 1.00 0.00 C ATOM 932 C ASP A 63 -30.796 -32.319 5.486 1.00 0.00 C ATOM 933 O ASP A 63 -31.901 -31.869 5.185 1.00 0.00 O ATOM 934 CB ASP A 63 -30.028 -34.685 5.217 1.00 0.00 C ATOM 935 CG ASP A 63 -29.768 -35.788 4.210 1.00 0.00 C ATOM 936 OD1 ASP A 63 -28.639 -35.857 3.682 1.00 0.00 O ATOM 937 OD2 ASP A 63 -30.695 -36.584 3.952 1.00 0.00 O ATOM 0 H ASP A 63 -28.000 -33.539 4.397 1.00 0.00 H new ATOM 0 HA ASP A 63 -30.629 -33.367 3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -29.247 -34.699 5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -30.972 -34.877 5.726 1.00 0.00 H new ATOM 942 N GLU A 64 -30.162 -31.992 6.608 1.00 0.00 N ATOM 943 CA GLU A 64 -30.744 -31.064 7.571 1.00 0.00 C ATOM 944 C GLU A 64 -31.276 -29.817 6.872 1.00 0.00 C ATOM 945 O GLU A 64 -32.463 -29.501 6.957 1.00 0.00 O ATOM 946 CB GLU A 64 -29.707 -30.670 8.624 1.00 0.00 C ATOM 947 CG GLU A 64 -29.538 -31.699 9.729 1.00 0.00 C ATOM 948 CD GLU A 64 -30.694 -31.696 10.710 1.00 0.00 C ATOM 949 OE1 GLU A 64 -30.658 -30.891 11.664 1.00 0.00 O ATOM 950 OE2 GLU A 64 -31.633 -32.498 10.524 1.00 0.00 O ATOM 0 H GLU A 64 -29.246 -32.355 6.872 1.00 0.00 H new ATOM 0 HA GLU A 64 -31.577 -31.566 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -28.746 -30.514 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -29.996 -29.717 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -29.445 -32.691 9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -28.610 -31.501 10.266 1.00 0.00 H new ATOM 957 N LEU A 65 -30.388 -29.110 6.182 1.00 0.00 N ATOM 958 CA LEU A 65 -30.766 -27.895 5.467 1.00 0.00 C ATOM 959 C LEU A 65 -31.931 -28.161 4.520 1.00 0.00 C ATOM 960 O LEU A 65 -33.010 -27.586 4.669 1.00 0.00 O ATOM 961 CB LEU A 65 -29.572 -27.347 4.685 1.00 0.00 C ATOM 962 CG LEU A 65 -29.881 -26.236 3.681 1.00 0.00 C ATOM 963 CD1 LEU A 65 -30.296 -24.963 4.403 1.00 0.00 C ATOM 964 CD2 LEU A 65 -28.677 -25.975 2.787 1.00 0.00 C ATOM 0 H LEU A 65 -29.401 -29.357 6.102 1.00 0.00 H new ATOM 0 HA LEU A 65 -31.081 -27.154 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -28.838 -26.971 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -29.103 -28.173 4.150 1.00 0.00 H new ATOM 0 HG LEU A 65 -30.711 -26.561 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -30.512 -24.184 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -31.187 -25.157 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -29.487 -24.634 5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.915 -25.181 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -27.828 -25.672 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -28.425 -26.884 2.242 1.00 0.00 H new ATOM 976 N SER A 66 -31.707 -29.038 3.545 1.00 0.00 N ATOM 977 CA SER A 66 -32.737 -29.379 2.572 1.00 0.00 C ATOM 978 C SER A 66 -34.084 -29.586 3.257 1.00 0.00 C ATOM 979 O SER A 66 -35.121 -29.153 2.754 1.00 0.00 O ATOM 980 CB SER A 66 -32.344 -30.643 1.804 1.00 0.00 C ATOM 981 OG SER A 66 -33.360 -31.022 0.892 1.00 0.00 O ATOM 0 H SER A 66 -30.821 -29.525 3.409 1.00 0.00 H new ATOM 0 HA SER A 66 -32.829 -28.549 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.413 -30.470 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 66 -32.159 -31.456 2.506 1.00 0.00 H new ATOM 0 HG SER A 66 -33.084 -31.831 0.413 1.00 0.00 H new ATOM 987 N ARG A 67 -34.060 -30.251 4.407 1.00 0.00 N ATOM 988 CA ARG A 67 -35.280 -30.518 5.162 1.00 0.00 C ATOM 989 C ARG A 67 -35.889 -29.220 5.685 1.00 0.00 C ATOM 990 O ARG A 67 -37.105 -29.034 5.648 1.00 0.00 O ATOM 991 CB ARG A 67 -34.987 -31.464 6.328 1.00 0.00 C ATOM 992 CG ARG A 67 -35.137 -32.934 5.971 1.00 0.00 C ATOM 993 CD ARG A 67 -36.579 -33.396 6.114 1.00 0.00 C ATOM 994 NE ARG A 67 -36.683 -34.852 6.177 1.00 0.00 N ATOM 995 CZ ARG A 67 -37.533 -35.494 6.969 1.00 0.00 C ATOM 996 NH1 ARG A 67 -38.349 -34.813 7.761 1.00 0.00 N ATOM 997 NH2 ARG A 67 -37.569 -36.820 6.971 1.00 0.00 N ATOM 0 H ARG A 67 -33.210 -30.615 4.837 1.00 0.00 H new ATOM 0 HA ARG A 67 -35.997 -30.992 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -33.972 -31.287 6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -35.659 -31.229 7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -34.801 -33.097 4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -34.496 -33.534 6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -37.011 -32.962 7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -37.163 -33.027 5.271 1.00 0.00 H new ATOM 0 HE ARG A 67 -36.069 -35.405 5.580 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -38.325 -33.793 7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -39.001 -35.309 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -36.943 -37.348 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -38.223 -37.312 7.580 1.00 0.00 H new ATOM 1011 N HIS A 68 -35.035 -28.327 6.175 1.00 0.00 N ATOM 1012 CA HIS A 68 -35.488 -27.047 6.706 1.00 0.00 C ATOM 1013 C HIS A 68 -36.044 -26.162 5.594 1.00 0.00 C ATOM 1014 O HIS A 68 -37.104 -25.555 5.743 1.00 0.00 O ATOM 1015 CB HIS A 68 -34.340 -26.330 7.418 1.00 0.00 C ATOM 1016 CG HIS A 68 -34.501 -24.842 7.465 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -35.070 -24.180 8.534 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -34.162 -23.886 6.570 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -35.074 -22.882 8.292 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -34.529 -22.676 7.106 1.00 0.00 N ATOM 0 H HIS A 68 -34.025 -28.467 6.215 1.00 0.00 H new ATOM 0 HA HIS A 68 -36.285 -27.242 7.423 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -34.260 -26.711 8.436 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -33.404 -26.570 6.914 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -35.431 -24.624 9.379 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -33.690 -24.045 5.612 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -35.458 -22.118 8.952 1.00 0.00 H new ATOM 1028 N ARG A 69 -35.320 -26.095 4.482 1.00 0.00 N ATOM 1029 CA ARG A 69 -35.741 -25.283 3.346 1.00 0.00 C ATOM 1030 C ARG A 69 -37.257 -25.317 3.184 1.00 0.00 C ATOM 1031 O ARG A 69 -37.889 -24.289 2.942 1.00 0.00 O ATOM 1032 CB ARG A 69 -35.068 -25.776 2.063 1.00 0.00 C ATOM 1033 CG ARG A 69 -33.609 -25.368 1.944 1.00 0.00 C ATOM 1034 CD ARG A 69 -33.462 -23.864 1.786 1.00 0.00 C ATOM 1035 NE ARG A 69 -34.153 -23.368 0.598 1.00 0.00 N ATOM 1036 CZ ARG A 69 -33.813 -22.253 -0.039 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -32.796 -21.522 0.396 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -34.491 -21.869 -1.113 1.00 0.00 N ATOM 0 H ARG A 69 -34.440 -26.592 4.343 1.00 0.00 H new ATOM 0 HA ARG A 69 -35.437 -24.253 3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -35.137 -26.863 2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -35.616 -25.389 1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -33.065 -25.697 2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -33.158 -25.871 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -33.859 -23.366 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -32.404 -23.608 1.724 1.00 0.00 H new ATOM 0 HE ARG A 69 -34.940 -23.908 0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -32.273 -21.815 1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -32.536 -20.666 -0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -35.274 -22.430 -1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -34.230 -21.013 -1.602 1.00 0.00 H new ATOM 1052 N ARG A 70 -37.834 -26.508 3.318 1.00 0.00 N ATOM 1053 CA ARG A 70 -39.276 -26.676 3.185 1.00 0.00 C ATOM 1054 C ARG A 70 -40.018 -25.450 3.708 1.00 0.00 C ATOM 1055 O ARG A 70 -40.954 -24.959 3.076 1.00 0.00 O ATOM 1056 CB ARG A 70 -39.737 -27.925 3.941 1.00 0.00 C ATOM 1057 CG ARG A 70 -39.716 -27.764 5.452 1.00 0.00 C ATOM 1058 CD ARG A 70 -40.120 -29.050 6.155 1.00 0.00 C ATOM 1059 NE ARG A 70 -41.561 -29.119 6.383 1.00 0.00 N ATOM 1060 CZ ARG A 70 -42.130 -29.961 7.239 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -41.383 -30.800 7.944 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -43.447 -29.964 7.393 1.00 0.00 N ATOM 0 H ARG A 70 -37.325 -27.369 3.518 1.00 0.00 H new ATOM 0 HA ARG A 70 -39.506 -26.794 2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -40.749 -28.178 3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -39.098 -28.763 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -38.717 -27.471 5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -40.393 -26.961 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -39.806 -29.905 5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -39.598 -29.121 7.109 1.00 0.00 H new ATOM 0 HE ARG A 70 -42.163 -28.486 5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -40.369 -30.800 7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -41.822 -31.445 8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -44.025 -29.319 6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -43.882 -30.611 8.051 1.00 0.00 H new ATOM 1076 N THR A 71 -39.594 -24.957 4.868 1.00 0.00 N ATOM 1077 CA THR A 71 -40.217 -23.790 5.476 1.00 0.00 C ATOM 1078 C THR A 71 -40.390 -22.666 4.461 1.00 0.00 C ATOM 1079 O THR A 71 -41.482 -22.115 4.309 1.00 0.00 O ATOM 1080 CB THR A 71 -39.391 -23.267 6.667 1.00 0.00 C ATOM 1081 OG1 THR A 71 -38.089 -22.870 6.223 1.00 0.00 O ATOM 1082 CG2 THR A 71 -39.262 -24.332 7.745 1.00 0.00 C ATOM 0 H THR A 71 -38.821 -25.349 5.405 1.00 0.00 H new ATOM 0 HA THR A 71 -41.197 -24.107 5.834 1.00 0.00 H new ATOM 0 HB THR A 71 -39.908 -22.406 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 71 -37.563 -23.666 5.999 1.00 0.00 H new ATOM 0 HG21 THR A 71 -38.675 -23.940 8.575 1.00 0.00 H new ATOM 0 HG22 THR A 71 -40.254 -24.611 8.101 1.00 0.00 H new ATOM 0 HG23 THR A 71 -38.765 -25.210 7.332 1.00 0.00 H new ATOM 1090 N HIS A 72 -39.308 -22.330 3.767 1.00 0.00 N ATOM 1091 CA HIS A 72 -39.341 -21.272 2.763 1.00 0.00 C ATOM 1092 C HIS A 72 -40.093 -21.728 1.517 1.00 0.00 C ATOM 1093 O HIS A 72 -39.713 -22.706 0.873 1.00 0.00 O ATOM 1094 CB HIS A 72 -37.919 -20.851 2.389 1.00 0.00 C ATOM 1095 CG HIS A 72 -37.060 -20.523 3.571 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -37.368 -19.525 4.471 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -35.899 -21.070 4.000 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -36.432 -19.470 5.402 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -35.529 -20.398 5.139 1.00 0.00 N ATOM 0 H HIS A 72 -38.397 -22.775 3.881 1.00 0.00 H new ATOM 0 HA HIS A 72 -39.865 -20.417 3.189 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -37.449 -21.654 1.821 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -37.967 -19.982 1.733 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -38.190 -18.923 4.425 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -35.363 -21.883 3.534 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -36.409 -18.784 6.236 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -9.277 -10.612 8.616 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -33.871 -21.011 6.106 1.00 0.00 ZN