USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 TYR OH : rot 8:sc= -1.26 USER MOD Set 1.2: A 85 SER OG : rot 81:sc= -1.6! USER MOD Single : A 11 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.975! X(o=-0.98!,f=-0.64) USER MOD Single : A 23 THR OG1 : rot 110:sc= -2.26 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot -130:sc=-0.00955 USER MOD Single : A 37 SER OG : rot 51:sc= 0.264 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -123:sc= 0 (180deg=-0.213) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -0.129 (180deg=-2.99!) USER MOD Single : A 44 ASN : amide:sc= -9.44! C(o=-9.4!,f=-5.5!) USER MOD Single : A 46 MET CE :methyl 172:sc= -3.27! (180deg=-3.72!) USER MOD Single : A 52 GLN : amide:sc= 0.0559 X(o=0.056,f=-0.0013) USER MOD Single : A 64 HIS : no HE2:sc= -7.16! C(o=-7.2!,f=-14!) USER MOD Single : A 65 ASN : amide:sc= -4.52! C(o=-4.5!,f=-6.7!) USER MOD Single : A 66 THR OG1 : rot -39:sc= 0.218 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -14.2! C(o=-14!,f=-16!) USER MOD Single : A 79 GLN : amide:sc= -0.839 K(o=-0.84,f=-0.06) USER MOD Single : A 81 SER OG : rot -29:sc= -3! USER MOD Single : A 83 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 4 -6.196 24.830 -12.501 1.00 0.00 N ATOM 16 CA ASP A 4 -5.042 23.950 -12.360 1.00 0.00 C ATOM 17 C ASP A 4 -4.193 24.353 -11.159 1.00 0.00 C ATOM 18 O ASP A 4 -3.475 25.352 -11.199 1.00 0.00 O ATOM 19 CB ASP A 4 -4.193 23.981 -13.633 1.00 0.00 C ATOM 20 CG ASP A 4 -3.027 23.015 -13.572 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.924 22.269 -12.576 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.214 23.004 -14.520 1.00 0.00 O ATOM 0 HA ASP A 4 -5.407 22.936 -12.199 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.820 23.736 -14.491 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.816 24.992 -13.791 1.00 0.00 H new ATOM 27 N ILE A 5 -4.280 23.564 -10.095 1.00 0.00 N ATOM 28 CA ILE A 5 -3.519 23.827 -8.879 1.00 0.00 C ATOM 29 C ILE A 5 -2.164 23.136 -8.932 1.00 0.00 C ATOM 30 O ILE A 5 -1.845 22.455 -9.904 1.00 0.00 O ATOM 31 CB ILE A 5 -4.264 23.344 -7.616 1.00 0.00 C ATOM 32 CG1 ILE A 5 -5.644 22.781 -7.966 1.00 0.00 C ATOM 33 CG2 ILE A 5 -4.395 24.477 -6.617 1.00 0.00 C ATOM 34 CD1 ILE A 5 -6.537 23.770 -8.684 1.00 0.00 C ATOM 0 H ILE A 5 -4.872 22.734 -10.049 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.389 24.908 -8.821 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.679 22.542 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.519 21.897 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.138 22.456 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.922 24.122 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.403 24.828 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.954 25.297 -7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.498 23.303 -8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.693 24.645 -8.052 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.064 24.076 -9.617 1.00 0.00 H new ATOM 46 N ASP A 6 -1.374 23.298 -7.877 1.00 0.00 N ATOM 47 CA ASP A 6 -0.064 22.663 -7.812 1.00 0.00 C ATOM 48 C ASP A 6 -0.183 21.294 -7.167 1.00 0.00 C ATOM 49 O ASP A 6 0.331 20.302 -7.683 1.00 0.00 O ATOM 50 CB ASP A 6 0.925 23.519 -7.024 1.00 0.00 C ATOM 51 CG ASP A 6 2.266 22.829 -6.866 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.279 21.617 -6.551 1.00 0.00 O ATOM 53 OD2 ASP A 6 3.304 23.497 -7.058 1.00 0.00 O ATOM 0 H ASP A 6 -1.616 23.860 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 6 0.310 22.556 -8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.065 24.473 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.511 23.739 -6.040 1.00 0.00 H new ATOM 58 N GLU A 7 -0.874 21.249 -6.036 1.00 0.00 N ATOM 59 CA GLU A 7 -1.083 20.006 -5.308 1.00 0.00 C ATOM 60 C GLU A 7 0.218 19.464 -4.721 1.00 0.00 C ATOM 61 O GLU A 7 0.292 19.184 -3.524 1.00 0.00 O ATOM 62 CB GLU A 7 -1.726 18.966 -6.225 1.00 0.00 C ATOM 63 CG GLU A 7 -2.899 19.509 -7.032 1.00 0.00 C ATOM 64 CD GLU A 7 -2.493 19.965 -8.422 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.451 19.492 -8.923 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.220 20.792 -9.011 1.00 0.00 O ATOM 0 H GLU A 7 -1.302 22.066 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.753 20.217 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.971 18.581 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.068 18.124 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.665 18.738 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.347 20.346 -6.496 1.00 0.00 H new ATOM 73 N CYS A 8 1.244 19.311 -5.557 1.00 0.00 N ATOM 74 CA CYS A 8 2.526 18.796 -5.092 1.00 0.00 C ATOM 75 C CYS A 8 3.195 19.782 -4.145 1.00 0.00 C ATOM 76 O CYS A 8 4.038 19.403 -3.333 1.00 0.00 O ATOM 77 CB CYS A 8 3.444 18.496 -6.277 1.00 0.00 C ATOM 78 SG CYS A 8 2.939 17.048 -7.262 1.00 0.00 S ATOM 0 H CYS A 8 1.211 19.535 -6.552 1.00 0.00 H new ATOM 0 HA CYS A 8 2.341 17.869 -4.549 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.478 19.370 -6.927 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.456 18.335 -5.907 1.00 0.00 H new ATOM 83 N ARG A 9 2.809 21.049 -4.248 1.00 0.00 N ATOM 84 CA ARG A 9 3.368 22.082 -3.390 1.00 0.00 C ATOM 85 C ARG A 9 2.829 21.940 -1.974 1.00 0.00 C ATOM 86 O ARG A 9 3.514 22.263 -1.002 1.00 0.00 O ATOM 87 CB ARG A 9 3.043 23.471 -3.942 1.00 0.00 C ATOM 88 CG ARG A 9 3.676 24.605 -3.153 1.00 0.00 C ATOM 89 CD ARG A 9 4.179 25.709 -4.068 1.00 0.00 C ATOM 90 NE ARG A 9 4.130 27.019 -3.425 1.00 0.00 N ATOM 91 CZ ARG A 9 5.096 27.491 -2.644 1.00 0.00 C ATOM 92 NH1 ARG A 9 6.179 26.763 -2.411 1.00 0.00 N ATOM 93 NH2 ARG A 9 4.980 28.693 -2.096 1.00 0.00 N ATOM 0 H ARG A 9 2.114 21.383 -4.915 1.00 0.00 H new ATOM 0 HA ARG A 9 4.451 21.963 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.379 23.529 -4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.961 23.605 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.947 25.015 -2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.504 24.218 -2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.204 25.491 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.577 25.729 -4.977 1.00 0.00 H new ATOM 0 HE ARG A 9 3.310 27.604 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.272 25.838 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.919 27.127 -1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.149 29.256 -2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.722 29.054 -1.497 1.00 0.00 H new ATOM 107 N ILE A 10 1.600 21.442 -1.861 1.00 0.00 N ATOM 108 CA ILE A 10 0.979 21.243 -0.563 1.00 0.00 C ATOM 109 C ILE A 10 1.958 20.589 0.401 1.00 0.00 C ATOM 110 O ILE A 10 2.030 20.947 1.576 1.00 0.00 O ATOM 111 CB ILE A 10 -0.280 20.375 -0.690 1.00 0.00 C ATOM 112 CG1 ILE A 10 -1.418 21.219 -1.252 1.00 0.00 C ATOM 113 CG2 ILE A 10 -0.668 19.770 0.655 1.00 0.00 C ATOM 114 CD1 ILE A 10 -2.693 20.447 -1.438 1.00 0.00 C ATOM 0 H ILE A 10 1.019 21.171 -2.654 1.00 0.00 H new ATOM 0 HA ILE A 10 0.694 22.220 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.074 19.549 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.604 22.058 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.112 21.638 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.563 19.160 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.148 19.148 1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.866 20.569 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.462 21.106 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.522 19.623 -2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.022 20.050 -0.477 1.00 0.00 H new ATOM 126 N SER A 11 2.709 19.625 -0.114 1.00 0.00 N ATOM 127 CA SER A 11 3.688 18.907 0.684 1.00 0.00 C ATOM 128 C SER A 11 4.736 18.255 -0.211 1.00 0.00 C ATOM 129 O SER A 11 4.463 17.928 -1.365 1.00 0.00 O ATOM 130 CB SER A 11 2.995 17.843 1.533 1.00 0.00 C ATOM 131 OG SER A 11 3.622 17.707 2.796 1.00 0.00 O ATOM 0 H SER A 11 2.657 19.322 -1.087 1.00 0.00 H new ATOM 0 HA SER A 11 4.186 19.620 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.947 18.110 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.014 16.887 1.010 1.00 0.00 H new ATOM 0 HG SER A 11 3.158 17.021 3.320 1.00 0.00 H new ATOM 137 N PRO A 12 5.951 18.051 0.315 1.00 0.00 N ATOM 138 CA PRO A 12 7.042 17.430 -0.421 1.00 0.00 C ATOM 139 C PRO A 12 6.946 15.914 -0.368 1.00 0.00 C ATOM 140 O PRO A 12 7.468 15.210 -1.231 1.00 0.00 O ATOM 141 CB PRO A 12 8.301 17.911 0.317 1.00 0.00 C ATOM 142 CG PRO A 12 7.822 18.712 1.493 1.00 0.00 C ATOM 143 CD PRO A 12 6.364 18.393 1.672 1.00 0.00 C ATOM 0 HA PRO A 12 7.035 17.697 -1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.907 17.066 0.644 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.927 18.518 -0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.386 18.457 2.390 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.966 19.778 1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.211 17.565 2.364 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.807 19.244 2.064 1.00 0.00 H new ATOM 151 N ASP A 13 6.256 15.425 0.657 1.00 0.00 N ATOM 152 CA ASP A 13 6.060 13.996 0.844 1.00 0.00 C ATOM 153 C ASP A 13 4.584 13.658 0.703 1.00 0.00 C ATOM 154 O ASP A 13 4.080 12.735 1.339 1.00 0.00 O ATOM 155 CB ASP A 13 6.572 13.560 2.219 1.00 0.00 C ATOM 156 CG ASP A 13 7.531 12.389 2.133 1.00 0.00 C ATOM 157 OD1 ASP A 13 7.646 11.795 1.041 1.00 0.00 O ATOM 158 OD2 ASP A 13 8.168 12.068 3.158 1.00 0.00 O ATOM 0 H ASP A 13 5.821 16.004 1.375 1.00 0.00 H new ATOM 0 HA ASP A 13 6.625 13.460 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.071 14.400 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.726 13.288 2.849 1.00 0.00 H new ATOM 163 N LEU A 14 3.899 14.427 -0.133 1.00 0.00 N ATOM 164 CA LEU A 14 2.473 14.233 -0.372 1.00 0.00 C ATOM 165 C LEU A 14 2.094 12.757 -0.326 1.00 0.00 C ATOM 166 O LEU A 14 1.187 12.359 0.406 1.00 0.00 O ATOM 167 CB LEU A 14 2.089 14.816 -1.730 1.00 0.00 C ATOM 168 CG LEU A 14 1.006 15.895 -1.697 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.409 17.078 -2.561 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.328 15.328 -2.162 1.00 0.00 C ATOM 0 H LEU A 14 4.311 15.197 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 14 1.930 14.749 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.982 15.236 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.749 14.004 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 14 0.894 16.239 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.627 17.837 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.342 17.501 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.548 16.746 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.086 16.110 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.230 14.957 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.624 14.510 -1.505 1.00 0.00 H new ATOM 182 N CYS A 15 2.782 11.955 -1.128 1.00 0.00 N ATOM 183 CA CYS A 15 2.510 10.525 -1.203 1.00 0.00 C ATOM 184 C CYS A 15 3.313 9.741 -0.169 1.00 0.00 C ATOM 185 O CYS A 15 3.600 8.560 -0.357 1.00 0.00 O ATOM 186 CB CYS A 15 2.813 10.019 -2.610 1.00 0.00 C ATOM 187 SG CYS A 15 1.799 10.813 -3.897 1.00 0.00 S ATOM 0 H CYS A 15 3.535 12.272 -1.738 1.00 0.00 H new ATOM 0 HA CYS A 15 1.455 10.368 -0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.867 10.190 -2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.651 8.942 -2.643 1.00 0.00 H new ATOM 192 N GLY A 16 3.659 10.408 0.924 1.00 0.00 N ATOM 193 CA GLY A 16 4.414 9.767 1.988 1.00 0.00 C ATOM 194 C GLY A 16 5.383 8.716 1.483 1.00 0.00 C ATOM 195 O GLY A 16 5.606 7.706 2.147 1.00 0.00 O ATOM 0 H GLY A 16 3.430 11.387 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.967 10.526 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.720 9.305 2.690 1.00 0.00 H new ATOM 199 N ARG A 17 5.957 8.957 0.311 1.00 0.00 N ATOM 200 CA ARG A 17 6.910 8.028 -0.289 1.00 0.00 C ATOM 201 C ARG A 17 6.978 8.237 -1.795 1.00 0.00 C ATOM 202 O ARG A 17 8.033 8.560 -2.343 1.00 0.00 O ATOM 203 CB ARG A 17 6.520 6.578 0.021 1.00 0.00 C ATOM 204 CG ARG A 17 7.253 5.550 -0.827 1.00 0.00 C ATOM 205 CD ARG A 17 8.289 4.799 -0.008 1.00 0.00 C ATOM 206 NE ARG A 17 8.382 3.394 -0.397 1.00 0.00 N ATOM 207 CZ ARG A 17 9.189 2.519 0.193 1.00 0.00 C ATOM 208 NH1 ARG A 17 9.969 2.904 1.194 1.00 0.00 N ATOM 209 NH2 ARG A 17 9.217 1.258 -0.217 1.00 0.00 N ATOM 0 H ARG A 17 5.779 9.792 -0.247 1.00 0.00 H new ATOM 0 HA ARG A 17 7.893 8.224 0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.719 6.375 1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.447 6.460 -0.129 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.537 4.844 -1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.740 6.047 -1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.262 5.274 -0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.033 4.866 1.049 1.00 0.00 H new ATOM 0 HE ARG A 17 7.795 3.067 -1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.950 3.873 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.588 2.231 1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.618 0.959 -0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.837 0.588 0.237 1.00 0.00 H new ATOM 223 N GLY A 18 5.843 8.057 -2.457 1.00 0.00 N ATOM 224 CA GLY A 18 5.789 8.235 -3.895 1.00 0.00 C ATOM 225 C GLY A 18 6.223 9.625 -4.314 1.00 0.00 C ATOM 226 O GLY A 18 6.540 10.464 -3.470 1.00 0.00 O ATOM 0 H GLY A 18 4.959 7.791 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.429 7.495 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.773 8.052 -4.245 1.00 0.00 H new ATOM 230 N GLN A 19 6.240 9.870 -5.618 1.00 0.00 N ATOM 231 CA GLN A 19 6.642 11.169 -6.142 1.00 0.00 C ATOM 232 C GLN A 19 5.447 11.907 -6.736 1.00 0.00 C ATOM 233 O GLN A 19 5.008 11.606 -7.846 1.00 0.00 O ATOM 234 CB GLN A 19 7.733 10.994 -7.199 1.00 0.00 C ATOM 235 CG GLN A 19 8.664 9.825 -6.918 1.00 0.00 C ATOM 236 CD GLN A 19 10.099 10.263 -6.700 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.449 10.775 -5.637 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.939 10.062 -7.709 1.00 0.00 N ATOM 0 H GLN A 19 5.981 9.188 -6.331 1.00 0.00 H new ATOM 0 HA GLN A 19 7.037 11.765 -5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.265 10.850 -8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.320 11.910 -7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.313 9.290 -6.036 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.624 9.125 -7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.605 9.634 -8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.918 10.336 -7.620 1.00 0.00 H new ATOM 247 N CYS A 20 4.923 12.874 -5.987 1.00 0.00 N ATOM 248 CA CYS A 20 3.776 13.650 -6.440 1.00 0.00 C ATOM 249 C CYS A 20 4.064 14.346 -7.764 1.00 0.00 C ATOM 250 O CYS A 20 5.169 14.836 -7.995 1.00 0.00 O ATOM 251 CB CYS A 20 3.387 14.691 -5.389 1.00 0.00 C ATOM 252 SG CYS A 20 2.050 15.814 -5.914 1.00 0.00 S ATOM 0 H CYS A 20 5.275 13.137 -5.066 1.00 0.00 H new ATOM 0 HA CYS A 20 2.948 12.956 -6.588 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.078 14.176 -4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.267 15.283 -5.137 1.00 0.00 H new ATOM 257 N VAL A 21 3.050 14.401 -8.620 1.00 0.00 N ATOM 258 CA VAL A 21 3.173 15.053 -9.917 1.00 0.00 C ATOM 259 C VAL A 21 2.031 16.040 -10.126 1.00 0.00 C ATOM 260 O VAL A 21 1.013 15.980 -9.438 1.00 0.00 O ATOM 261 CB VAL A 21 3.177 14.035 -11.073 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.920 14.731 -12.405 1.00 0.00 C ATOM 263 CG2 VAL A 21 4.494 13.275 -11.108 1.00 0.00 C ATOM 0 H VAL A 21 2.130 14.000 -8.437 1.00 0.00 H new ATOM 0 HA VAL A 21 4.126 15.581 -9.920 1.00 0.00 H new ATOM 0 HB VAL A 21 2.372 13.320 -10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.927 13.994 -13.208 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.949 15.226 -12.375 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.700 15.471 -12.585 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.480 12.560 -11.931 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.315 13.977 -11.252 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.632 12.743 -10.167 1.00 0.00 H new ATOM 273 N ASN A 22 2.207 16.946 -11.077 1.00 0.00 N ATOM 274 CA ASN A 22 1.190 17.945 -11.374 1.00 0.00 C ATOM 275 C ASN A 22 0.317 17.517 -12.548 1.00 0.00 C ATOM 276 O ASN A 22 0.800 16.934 -13.518 1.00 0.00 O ATOM 277 CB ASN A 22 1.844 19.290 -11.679 1.00 0.00 C ATOM 278 CG ASN A 22 0.845 20.424 -11.633 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.312 20.840 -12.662 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.580 20.928 -10.438 1.00 0.00 N ATOM 0 H ASN A 22 3.044 17.010 -11.656 1.00 0.00 H new ATOM 0 HA ASN A 22 0.554 18.043 -10.494 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.641 19.478 -10.959 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.307 19.254 -12.665 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.089 21.692 -10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.045 20.552 -9.612 1.00 0.00 H new ATOM 287 N THR A 23 -0.975 17.821 -12.454 1.00 0.00 N ATOM 288 CA THR A 23 -1.925 17.478 -13.505 1.00 0.00 C ATOM 289 C THR A 23 -3.018 18.536 -13.616 1.00 0.00 C ATOM 290 O THR A 23 -3.357 19.198 -12.636 1.00 0.00 O ATOM 291 CB THR A 23 -2.578 16.107 -13.252 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.708 16.254 -12.385 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.580 15.141 -12.635 1.00 0.00 C ATOM 0 H THR A 23 -1.388 18.306 -11.657 1.00 0.00 H new ATOM 0 HA THR A 23 -1.363 17.434 -14.438 1.00 0.00 H new ATOM 0 HB THR A 23 -2.908 15.703 -14.209 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.532 16.095 -12.891 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.063 14.179 -12.465 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.736 15.009 -13.312 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.225 15.542 -11.686 1.00 0.00 H new ATOM 301 N PRO A 24 -3.591 18.702 -14.816 1.00 0.00 N ATOM 302 CA PRO A 24 -4.655 19.677 -15.061 1.00 0.00 C ATOM 303 C PRO A 24 -5.784 19.555 -14.044 1.00 0.00 C ATOM 304 O PRO A 24 -6.446 18.520 -13.960 1.00 0.00 O ATOM 305 CB PRO A 24 -5.160 19.333 -16.471 1.00 0.00 C ATOM 306 CG PRO A 24 -4.527 18.023 -16.819 1.00 0.00 C ATOM 307 CD PRO A 24 -3.254 17.951 -16.028 1.00 0.00 C ATOM 0 HA PRO A 24 -4.293 20.702 -14.973 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.247 19.260 -16.490 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.880 20.106 -17.187 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.188 17.193 -16.570 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.325 17.960 -17.888 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.974 16.922 -15.803 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.417 18.399 -16.564 1.00 0.00 H new ATOM 315 N GLY A 25 -5.990 20.612 -13.264 1.00 0.00 N ATOM 316 CA GLY A 25 -7.034 20.588 -12.257 1.00 0.00 C ATOM 317 C GLY A 25 -6.952 19.350 -11.391 1.00 0.00 C ATOM 318 O GLY A 25 -7.964 18.701 -11.120 1.00 0.00 O ATOM 0 H GLY A 25 -5.456 21.480 -13.311 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.954 21.476 -11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.009 20.627 -12.743 1.00 0.00 H new ATOM 322 N ASP A 26 -5.740 19.019 -10.965 1.00 0.00 N ATOM 323 CA ASP A 26 -5.511 17.846 -10.133 1.00 0.00 C ATOM 324 C ASP A 26 -4.019 17.553 -10.024 1.00 0.00 C ATOM 325 O ASP A 26 -3.187 18.404 -10.337 1.00 0.00 O ATOM 326 CB ASP A 26 -6.238 16.636 -10.712 1.00 0.00 C ATOM 327 CG ASP A 26 -7.266 16.064 -9.755 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.967 15.980 -8.544 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.368 15.700 -10.214 1.00 0.00 O ATOM 0 H ASP A 26 -4.897 19.550 -11.184 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.902 18.050 -9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.731 16.923 -11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.510 15.864 -10.962 1.00 0.00 H new ATOM 334 N PHE A 27 -3.683 16.347 -9.579 1.00 0.00 N ATOM 335 CA PHE A 27 -2.287 15.958 -9.433 1.00 0.00 C ATOM 336 C PHE A 27 -2.144 14.447 -9.288 1.00 0.00 C ATOM 337 O PHE A 27 -2.965 13.794 -8.645 1.00 0.00 O ATOM 338 CB PHE A 27 -1.675 16.656 -8.219 1.00 0.00 C ATOM 339 CG PHE A 27 -1.957 15.959 -6.920 1.00 0.00 C ATOM 340 CD1 PHE A 27 -3.153 16.170 -6.254 1.00 0.00 C ATOM 341 CD2 PHE A 27 -1.028 15.094 -6.366 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.418 15.532 -5.058 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.286 14.452 -5.170 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.484 14.671 -4.515 1.00 0.00 C ATOM 0 H PHE A 27 -4.355 15.626 -9.315 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.757 16.263 -10.335 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.596 16.727 -8.357 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.057 17.675 -8.165 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.887 16.841 -6.675 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.091 14.919 -6.875 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.354 15.706 -4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.553 13.780 -4.747 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.689 14.170 -3.581 1.00 0.00 H new ATOM 354 N GLU A 28 -1.088 13.903 -9.882 1.00 0.00 N ATOM 355 CA GLU A 28 -0.823 12.472 -9.816 1.00 0.00 C ATOM 356 C GLU A 28 0.421 12.205 -8.975 1.00 0.00 C ATOM 357 O GLU A 28 0.910 13.096 -8.282 1.00 0.00 O ATOM 358 CB GLU A 28 -0.643 11.897 -11.222 1.00 0.00 C ATOM 359 CG GLU A 28 0.467 12.564 -12.016 1.00 0.00 C ATOM 360 CD GLU A 28 0.146 12.669 -13.494 1.00 0.00 C ATOM 361 OE1 GLU A 28 -0.885 12.107 -13.918 1.00 0.00 O ATOM 362 OE2 GLU A 28 0.926 13.314 -14.226 1.00 0.00 O ATOM 0 H GLU A 28 -0.400 14.434 -10.416 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.676 11.982 -9.347 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.432 10.830 -11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.580 11.998 -11.769 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.646 13.562 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.390 11.999 -11.888 1.00 0.00 H new ATOM 369 N CYS A 29 0.927 10.979 -9.035 1.00 0.00 N ATOM 370 CA CYS A 29 2.113 10.617 -8.268 1.00 0.00 C ATOM 371 C CYS A 29 2.884 9.481 -8.924 1.00 0.00 C ATOM 372 O CYS A 29 2.520 8.992 -9.993 1.00 0.00 O ATOM 373 CB CYS A 29 1.723 10.202 -6.852 1.00 0.00 C ATOM 374 SG CYS A 29 2.929 10.676 -5.574 1.00 0.00 S ATOM 0 H CYS A 29 0.539 10.225 -9.601 1.00 0.00 H new ATOM 0 HA CYS A 29 2.755 11.497 -8.234 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.759 10.647 -6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.590 9.120 -6.826 1.00 0.00 H new ATOM 379 N LYS A 30 3.950 9.066 -8.253 1.00 0.00 N ATOM 380 CA LYS A 30 4.795 7.981 -8.728 1.00 0.00 C ATOM 381 C LYS A 30 5.181 7.078 -7.561 1.00 0.00 C ATOM 382 O LYS A 30 6.336 7.051 -7.138 1.00 0.00 O ATOM 383 CB LYS A 30 6.048 8.544 -9.396 1.00 0.00 C ATOM 384 CG LYS A 30 6.823 7.518 -10.208 1.00 0.00 C ATOM 385 CD LYS A 30 7.607 6.573 -9.313 1.00 0.00 C ATOM 386 CE LYS A 30 8.697 5.849 -10.087 1.00 0.00 C ATOM 387 NZ LYS A 30 9.822 5.433 -9.204 1.00 0.00 N ATOM 0 H LYS A 30 4.252 9.471 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 30 4.242 7.395 -9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.761 9.369 -10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.703 8.957 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.132 6.945 -10.826 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.507 8.030 -10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.054 7.134 -8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.929 5.844 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.274 4.971 -10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.076 6.499 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.544 4.943 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.243 6.273 -8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.466 4.792 -8.467 1.00 0.00 H new ATOM 401 N CYS A 31 4.199 6.353 -7.037 1.00 0.00 N ATOM 402 CA CYS A 31 4.423 5.458 -5.908 1.00 0.00 C ATOM 403 C CYS A 31 5.724 4.679 -6.069 1.00 0.00 C ATOM 404 O CYS A 31 6.343 4.691 -7.132 1.00 0.00 O ATOM 405 CB CYS A 31 3.248 4.490 -5.755 1.00 0.00 C ATOM 406 SG CYS A 31 1.701 5.268 -5.182 1.00 0.00 S ATOM 0 H CYS A 31 3.238 6.368 -7.377 1.00 0.00 H new ATOM 0 HA CYS A 31 4.502 6.069 -5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.064 4.007 -6.715 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.528 3.706 -5.052 1.00 0.00 H new ATOM 411 N ASP A 32 6.132 4.008 -4.997 1.00 0.00 N ATOM 412 CA ASP A 32 7.360 3.224 -5.002 1.00 0.00 C ATOM 413 C ASP A 32 7.264 2.051 -5.975 1.00 0.00 C ATOM 414 O ASP A 32 7.554 2.194 -7.162 1.00 0.00 O ATOM 415 CB ASP A 32 7.660 2.713 -3.592 1.00 0.00 C ATOM 416 CG ASP A 32 8.858 1.786 -3.554 1.00 0.00 C ATOM 417 OD1 ASP A 32 9.790 1.987 -4.360 1.00 0.00 O ATOM 418 OD2 ASP A 32 8.865 0.858 -2.717 1.00 0.00 O ATOM 0 H ASP A 32 5.627 3.992 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 32 8.173 3.870 -5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.840 3.562 -2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.786 2.188 -3.205 1.00 0.00 H new ATOM 423 N GLU A 33 6.859 0.892 -5.465 1.00 0.00 N ATOM 424 CA GLU A 33 6.732 -0.303 -6.291 1.00 0.00 C ATOM 425 C GLU A 33 5.355 -0.938 -6.128 1.00 0.00 C ATOM 426 O GLU A 33 4.791 -1.476 -7.081 1.00 0.00 O ATOM 427 CB GLU A 33 7.818 -1.317 -5.929 1.00 0.00 C ATOM 428 CG GLU A 33 9.132 -0.676 -5.511 1.00 0.00 C ATOM 429 CD GLU A 33 10.339 -1.408 -6.064 1.00 0.00 C ATOM 430 OE1 GLU A 33 10.613 -1.272 -7.275 1.00 0.00 O ATOM 431 OE2 GLU A 33 11.010 -2.119 -5.285 1.00 0.00 O ATOM 0 H GLU A 33 6.613 0.755 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 33 6.853 -0.005 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.457 -1.950 -5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.996 -1.967 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.152 0.359 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.192 -0.655 -4.423 1.00 0.00 H new ATOM 438 N GLY A 34 4.819 -0.871 -4.915 1.00 0.00 N ATOM 439 CA GLY A 34 3.515 -1.443 -4.649 1.00 0.00 C ATOM 440 C GLY A 34 2.681 -0.574 -3.733 1.00 0.00 C ATOM 441 O GLY A 34 1.817 -1.071 -3.014 1.00 0.00 O ATOM 0 H GLY A 34 5.266 -0.430 -4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.985 -1.587 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.638 -2.428 -4.199 1.00 0.00 H new ATOM 445 N TYR A 35 2.941 0.729 -3.756 1.00 0.00 N ATOM 446 CA TYR A 35 2.207 1.671 -2.921 1.00 0.00 C ATOM 447 C TYR A 35 1.031 2.271 -3.685 1.00 0.00 C ATOM 448 O TYR A 35 1.149 2.601 -4.865 1.00 0.00 O ATOM 449 CB TYR A 35 3.138 2.783 -2.432 1.00 0.00 C ATOM 450 CG TYR A 35 4.126 2.330 -1.380 1.00 0.00 C ATOM 451 CD1 TYR A 35 4.438 0.985 -1.225 1.00 0.00 C ATOM 452 CD2 TYR A 35 4.747 3.248 -0.542 1.00 0.00 C ATOM 453 CE1 TYR A 35 5.339 0.568 -0.265 1.00 0.00 C ATOM 454 CE2 TYR A 35 5.650 2.838 0.420 1.00 0.00 C ATOM 455 CZ TYR A 35 5.943 1.497 0.555 1.00 0.00 C ATOM 456 OH TYR A 35 6.842 1.086 1.512 1.00 0.00 O ATOM 0 H TYR A 35 3.656 1.157 -4.345 1.00 0.00 H new ATOM 0 HA TYR A 35 1.817 1.130 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.687 3.186 -3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.536 3.596 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.968 0.254 -1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.520 4.299 -0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.569 -0.482 -0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.124 3.564 1.063 1.00 0.00 H new ATOM 0 HH TYR A 35 6.605 1.484 2.376 1.00 0.00 H new ATOM 466 N GLU A 36 -0.102 2.409 -3.005 1.00 0.00 N ATOM 467 CA GLU A 36 -1.300 2.967 -3.619 1.00 0.00 C ATOM 468 C GLU A 36 -1.343 4.483 -3.440 1.00 0.00 C ATOM 469 O GLU A 36 -1.348 4.986 -2.317 1.00 0.00 O ATOM 470 CB GLU A 36 -2.557 2.311 -3.025 1.00 0.00 C ATOM 471 CG GLU A 36 -3.320 3.189 -2.042 1.00 0.00 C ATOM 472 CD GLU A 36 -4.681 2.622 -1.690 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.756 1.793 -0.759 1.00 0.00 O ATOM 474 OE2 GLU A 36 -5.672 3.007 -2.346 1.00 0.00 O ATOM 0 H GLU A 36 -0.215 2.142 -2.027 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.273 2.755 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.226 2.032 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.267 1.389 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.732 3.305 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.444 4.184 -2.470 1.00 0.00 H new ATOM 481 N SER A 37 -1.375 5.203 -4.555 1.00 0.00 N ATOM 482 CA SER A 37 -1.417 6.656 -4.526 1.00 0.00 C ATOM 483 C SER A 37 -2.827 7.154 -4.235 1.00 0.00 C ATOM 484 O SER A 37 -3.627 7.354 -5.149 1.00 0.00 O ATOM 485 CB SER A 37 -0.928 7.231 -5.856 1.00 0.00 C ATOM 486 OG SER A 37 -1.568 6.602 -6.951 1.00 0.00 O ATOM 0 H SER A 37 -1.373 4.801 -5.492 1.00 0.00 H new ATOM 0 HA SER A 37 -0.757 6.995 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.122 8.303 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.151 7.100 -5.937 1.00 0.00 H new ATOM 0 HG SER A 37 -2.539 6.619 -6.816 1.00 0.00 H new ATOM 492 N GLY A 38 -3.125 7.354 -2.958 1.00 0.00 N ATOM 493 CA GLY A 38 -4.436 7.829 -2.570 1.00 0.00 C ATOM 494 C GLY A 38 -5.310 6.728 -2.010 1.00 0.00 C ATOM 495 O GLY A 38 -6.255 6.282 -2.660 1.00 0.00 O ATOM 0 H GLY A 38 -2.480 7.195 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.327 8.617 -1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.928 8.274 -3.435 1.00 0.00 H new ATOM 499 N PHE A 39 -4.993 6.291 -0.799 1.00 0.00 N ATOM 500 CA PHE A 39 -5.754 5.236 -0.143 1.00 0.00 C ATOM 501 C PHE A 39 -6.934 5.815 0.631 1.00 0.00 C ATOM 502 O PHE A 39 -7.780 5.075 1.134 1.00 0.00 O ATOM 503 CB PHE A 39 -4.852 4.437 0.797 1.00 0.00 C ATOM 504 CG PHE A 39 -5.589 3.403 1.601 1.00 0.00 C ATOM 505 CD1 PHE A 39 -6.485 2.542 0.989 1.00 0.00 C ATOM 506 CD2 PHE A 39 -5.384 3.293 2.966 1.00 0.00 C ATOM 507 CE1 PHE A 39 -7.165 1.590 1.725 1.00 0.00 C ATOM 508 CE2 PHE A 39 -6.060 2.342 3.708 1.00 0.00 C ATOM 509 CZ PHE A 39 -6.951 1.490 3.086 1.00 0.00 C ATOM 0 H PHE A 39 -4.213 6.651 -0.250 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.143 4.570 -0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.076 3.945 0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.350 5.125 1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.654 2.615 -0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.688 3.958 3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.862 0.925 1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.891 2.266 4.772 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.480 0.746 3.663 1.00 0.00 H new ATOM 519 N MET A 40 -6.981 7.139 0.724 1.00 0.00 N ATOM 520 CA MET A 40 -8.055 7.817 1.439 1.00 0.00 C ATOM 521 C MET A 40 -7.630 9.222 1.843 1.00 0.00 C ATOM 522 O MET A 40 -8.447 10.141 1.889 1.00 0.00 O ATOM 523 CB MET A 40 -8.454 7.020 2.680 1.00 0.00 C ATOM 524 CG MET A 40 -7.282 6.338 3.369 1.00 0.00 C ATOM 525 SD MET A 40 -7.026 6.929 5.053 1.00 0.00 S ATOM 526 CE MET A 40 -5.790 5.771 5.634 1.00 0.00 C ATOM 0 H MET A 40 -6.288 7.764 0.313 1.00 0.00 H new ATOM 0 HA MET A 40 -8.914 7.890 0.771 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.943 7.688 3.389 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.187 6.265 2.396 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.453 5.262 3.388 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.376 6.506 2.787 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.527 6.007 6.665 1.00 0.00 H new ATOM 0 HE2 MET A 40 -6.189 4.758 5.584 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.901 5.843 5.007 1.00 0.00 H new ATOM 536 N MET A 41 -6.344 9.381 2.134 1.00 0.00 N ATOM 537 CA MET A 41 -5.805 10.675 2.534 1.00 0.00 C ATOM 538 C MET A 41 -5.754 11.627 1.345 1.00 0.00 C ATOM 539 O MET A 41 -5.991 12.827 1.488 1.00 0.00 O ATOM 540 CB MET A 41 -4.407 10.509 3.131 1.00 0.00 C ATOM 541 CG MET A 41 -4.266 9.283 4.019 1.00 0.00 C ATOM 542 SD MET A 41 -4.068 9.706 5.760 1.00 0.00 S ATOM 543 CE MET A 41 -2.331 10.136 5.808 1.00 0.00 C ATOM 0 H MET A 41 -5.655 8.630 2.100 1.00 0.00 H new ATOM 0 HA MET A 41 -6.464 11.099 3.292 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.680 10.446 2.321 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.161 11.398 3.712 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.146 8.650 3.901 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.406 8.698 3.691 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.055 10.421 6.823 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.735 9.278 5.497 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.144 10.971 5.133 1.00 0.00 H new ATOM 553 N MET A 42 -5.447 11.079 0.174 1.00 0.00 N ATOM 554 CA MET A 42 -5.363 11.870 -1.049 1.00 0.00 C ATOM 555 C MET A 42 -4.468 11.187 -2.075 1.00 0.00 C ATOM 556 O MET A 42 -4.902 10.866 -3.181 1.00 0.00 O ATOM 557 CB MET A 42 -4.828 13.271 -0.747 1.00 0.00 C ATOM 558 CG MET A 42 -3.663 13.278 0.228 1.00 0.00 C ATOM 559 SD MET A 42 -3.836 14.535 1.508 1.00 0.00 S ATOM 560 CE MET A 42 -2.599 13.993 2.685 1.00 0.00 C ATOM 0 H MET A 42 -5.251 10.086 0.046 1.00 0.00 H new ATOM 0 HA MET A 42 -6.368 11.955 -1.463 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.514 13.740 -1.679 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.636 13.880 -0.340 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.580 12.297 0.696 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.736 13.448 -0.320 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.068 13.827 3.655 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.148 13.064 2.337 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.828 14.758 2.781 1.00 0.00 H new ATOM 570 N LYS A 43 -3.215 10.971 -1.697 1.00 0.00 N ATOM 571 CA LYS A 43 -2.247 10.329 -2.578 1.00 0.00 C ATOM 572 C LYS A 43 -1.101 9.723 -1.774 1.00 0.00 C ATOM 573 O LYS A 43 -0.006 9.514 -2.295 1.00 0.00 O ATOM 574 CB LYS A 43 -1.697 11.344 -3.585 1.00 0.00 C ATOM 575 CG LYS A 43 -2.520 11.457 -4.858 1.00 0.00 C ATOM 576 CD LYS A 43 -2.538 10.150 -5.629 1.00 0.00 C ATOM 577 CE LYS A 43 -3.850 9.955 -6.371 1.00 0.00 C ATOM 578 NZ LYS A 43 -5.017 10.400 -5.562 1.00 0.00 N ATOM 0 H LYS A 43 -2.844 11.232 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.754 9.528 -3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.647 12.323 -3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.677 11.064 -3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.541 11.747 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.110 12.246 -5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.712 10.135 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.382 9.319 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.824 10.512 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.968 8.903 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.839 9.801 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.789 10.321 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.240 11.390 -5.790 1.00 0.00 H new ATOM 592 N ASN A 44 -1.358 9.447 -0.499 1.00 0.00 N ATOM 593 CA ASN A 44 -0.346 8.871 0.382 1.00 0.00 C ATOM 594 C ASN A 44 0.076 7.479 -0.089 1.00 0.00 C ATOM 595 O ASN A 44 -0.314 6.466 0.489 1.00 0.00 O ATOM 596 CB ASN A 44 -0.860 8.825 1.828 1.00 0.00 C ATOM 597 CG ASN A 44 -1.845 7.697 2.088 1.00 0.00 C ATOM 598 OD1 ASN A 44 -1.987 7.236 3.221 1.00 0.00 O ATOM 599 ND2 ASN A 44 -2.532 7.243 1.046 1.00 0.00 N ATOM 0 H ASN A 44 -2.260 9.613 -0.052 1.00 0.00 H new ATOM 0 HA ASN A 44 0.536 9.511 0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.011 8.718 2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.338 9.775 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.205 6.487 1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.387 7.651 0.122 1.00 0.00 H new ATOM 606 N CYS A 45 0.889 7.437 -1.141 1.00 0.00 N ATOM 607 CA CYS A 45 1.368 6.169 -1.681 1.00 0.00 C ATOM 608 C CYS A 45 1.647 5.179 -0.555 1.00 0.00 C ATOM 609 O CYS A 45 2.683 5.250 0.106 1.00 0.00 O ATOM 610 CB CYS A 45 2.633 6.387 -2.514 1.00 0.00 C ATOM 611 SG CYS A 45 2.312 6.950 -4.219 1.00 0.00 S ATOM 0 H CYS A 45 1.228 8.263 -1.634 1.00 0.00 H new ATOM 0 HA CYS A 45 0.591 5.756 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.263 7.121 -2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.197 5.455 -2.550 1.00 0.00 H new ATOM 616 N MET A 46 0.710 4.262 -0.336 1.00 0.00 N ATOM 617 CA MET A 46 0.848 3.264 0.718 1.00 0.00 C ATOM 618 C MET A 46 0.671 1.854 0.165 1.00 0.00 C ATOM 619 O MET A 46 -0.369 1.536 -0.413 1.00 0.00 O ATOM 620 CB MET A 46 -0.176 3.525 1.824 1.00 0.00 C ATOM 621 CG MET A 46 -1.581 3.774 1.302 1.00 0.00 C ATOM 622 SD MET A 46 -2.749 2.500 1.817 1.00 0.00 S ATOM 623 CE MET A 46 -2.558 2.565 3.596 1.00 0.00 C ATOM 0 H MET A 46 -0.153 4.190 -0.875 1.00 0.00 H new ATOM 0 HA MET A 46 1.853 3.343 1.132 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.194 2.670 2.500 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.144 4.387 2.409 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.929 4.745 1.655 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.557 3.821 0.213 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.315 1.937 4.066 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.566 2.204 3.869 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.676 3.593 3.937 1.00 0.00 H new ATOM 633 N ASP A 47 1.699 1.022 0.348 1.00 0.00 N ATOM 634 CA ASP A 47 1.692 -0.363 -0.126 1.00 0.00 C ATOM 635 C ASP A 47 0.275 -0.881 -0.356 1.00 0.00 C ATOM 636 O ASP A 47 -0.425 -1.268 0.581 1.00 0.00 O ATOM 637 CB ASP A 47 2.428 -1.266 0.869 1.00 0.00 C ATOM 638 CG ASP A 47 1.603 -1.570 2.104 1.00 0.00 C ATOM 639 OD1 ASP A 47 1.569 -0.722 3.019 1.00 0.00 O ATOM 640 OD2 ASP A 47 0.992 -2.658 2.154 1.00 0.00 O ATOM 0 H ASP A 47 2.558 1.289 0.828 1.00 0.00 H new ATOM 0 HA ASP A 47 2.209 -0.383 -1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.695 -2.201 0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.360 -0.786 1.169 1.00 0.00 H new ATOM 645 N ILE A 48 -0.136 -0.882 -1.617 1.00 0.00 N ATOM 646 CA ILE A 48 -1.459 -1.348 -2.002 1.00 0.00 C ATOM 647 C ILE A 48 -1.784 -2.688 -1.353 1.00 0.00 C ATOM 648 O ILE A 48 -0.997 -3.216 -0.566 1.00 0.00 O ATOM 649 CB ILE A 48 -1.559 -1.504 -3.529 1.00 0.00 C ATOM 650 CG1 ILE A 48 -0.269 -2.124 -4.074 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.827 -0.160 -4.187 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.505 -3.203 -5.107 1.00 0.00 C ATOM 0 H ILE A 48 0.436 -0.561 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.174 -0.600 -1.660 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.393 -2.166 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.344 -1.338 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.300 -2.545 -3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.894 -0.291 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.765 0.248 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.014 0.527 -3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.453 -3.596 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.091 -4.008 -4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.047 -2.783 -5.954 1.00 0.00 H new ATOM 664 N ASP A 49 -2.943 -3.240 -1.697 1.00 0.00 N ATOM 665 CA ASP A 49 -3.368 -4.524 -1.156 1.00 0.00 C ATOM 666 C ASP A 49 -3.049 -5.649 -2.133 1.00 0.00 C ATOM 667 O ASP A 49 -3.945 -6.211 -2.761 1.00 0.00 O ATOM 668 CB ASP A 49 -4.867 -4.511 -0.855 1.00 0.00 C ATOM 669 CG ASP A 49 -5.336 -5.805 -0.219 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.594 -6.808 -0.299 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.443 -5.817 0.358 1.00 0.00 O ATOM 0 H ASP A 49 -3.604 -2.817 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.823 -4.697 -0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.095 -3.678 -0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.420 -4.341 -1.779 1.00 0.00 H new ATOM 676 N GLU A 50 -1.767 -5.972 -2.257 1.00 0.00 N ATOM 677 CA GLU A 50 -1.329 -7.028 -3.157 1.00 0.00 C ATOM 678 C GLU A 50 -2.120 -8.309 -2.917 1.00 0.00 C ATOM 679 O GLU A 50 -2.204 -9.172 -3.789 1.00 0.00 O ATOM 680 CB GLU A 50 0.160 -7.294 -2.960 1.00 0.00 C ATOM 681 CG GLU A 50 1.056 -6.230 -3.574 1.00 0.00 C ATOM 682 CD GLU A 50 1.703 -5.341 -2.529 1.00 0.00 C ATOM 683 OE1 GLU A 50 2.332 -5.883 -1.597 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.578 -4.104 -2.643 1.00 0.00 O ATOM 0 H GLU A 50 -1.013 -5.516 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.506 -6.701 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.370 -7.362 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.408 -8.262 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.833 -6.712 -4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.469 -5.615 -4.256 1.00 0.00 H new ATOM 691 N CYS A 51 -2.701 -8.421 -1.728 1.00 0.00 N ATOM 692 CA CYS A 51 -3.491 -9.594 -1.370 1.00 0.00 C ATOM 693 C CYS A 51 -4.872 -9.529 -2.012 1.00 0.00 C ATOM 694 O CYS A 51 -5.638 -10.492 -1.965 1.00 0.00 O ATOM 695 CB CYS A 51 -3.625 -9.698 0.151 1.00 0.00 C ATOM 696 SG CYS A 51 -4.903 -10.871 0.711 1.00 0.00 S ATOM 0 H CYS A 51 -2.640 -7.714 -0.995 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.977 -10.480 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.664 -9.998 0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.853 -8.711 0.553 1.00 0.00 H new ATOM 701 N GLN A 52 -5.183 -8.383 -2.610 1.00 0.00 N ATOM 702 CA GLN A 52 -6.468 -8.179 -3.261 1.00 0.00 C ATOM 703 C GLN A 52 -6.285 -7.893 -4.748 1.00 0.00 C ATOM 704 O GLN A 52 -7.202 -8.082 -5.546 1.00 0.00 O ATOM 705 CB GLN A 52 -7.206 -7.019 -2.595 1.00 0.00 C ATOM 706 CG GLN A 52 -8.123 -7.455 -1.466 1.00 0.00 C ATOM 707 CD GLN A 52 -9.361 -6.587 -1.351 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.223 -6.595 -2.229 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.454 -5.831 -0.263 1.00 0.00 N ATOM 0 H GLN A 52 -4.557 -7.579 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.056 -9.091 -3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.476 -6.309 -2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.793 -6.492 -3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.424 -8.490 -1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.574 -7.425 -0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.715 -5.856 0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.264 -5.226 -0.130 1.00 0.00 H new ATOM 718 N ARG A 53 -5.093 -7.432 -5.107 1.00 0.00 N ATOM 719 CA ARG A 53 -4.777 -7.110 -6.493 1.00 0.00 C ATOM 720 C ARG A 53 -5.069 -8.288 -7.417 1.00 0.00 C ATOM 721 O ARG A 53 -5.275 -8.109 -8.618 1.00 0.00 O ATOM 722 CB ARG A 53 -3.306 -6.705 -6.615 1.00 0.00 C ATOM 723 CG ARG A 53 -2.800 -6.676 -8.047 1.00 0.00 C ATOM 724 CD ARG A 53 -1.864 -7.840 -8.328 1.00 0.00 C ATOM 725 NE ARG A 53 -1.863 -8.214 -9.740 1.00 0.00 N ATOM 726 CZ ARG A 53 -0.844 -8.819 -10.340 1.00 0.00 C ATOM 727 NH1 ARG A 53 0.252 -9.114 -9.654 1.00 0.00 N ATOM 728 NH2 ARG A 53 -0.919 -9.129 -11.627 1.00 0.00 N ATOM 0 H ARG A 53 -4.326 -7.272 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.410 -6.276 -6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.171 -5.719 -6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.697 -7.401 -6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.645 -6.713 -8.734 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.280 -5.736 -8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.852 -7.573 -8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.162 -8.698 -7.726 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.691 -7.999 -10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.313 -8.876 -8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.033 -9.579 -10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.760 -8.903 -12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.136 -9.594 -12.086 1.00 0.00 H new ATOM 742 N ASP A 54 -5.085 -9.492 -6.854 1.00 0.00 N ATOM 743 CA ASP A 54 -5.351 -10.694 -7.636 1.00 0.00 C ATOM 744 C ASP A 54 -6.522 -11.477 -7.052 1.00 0.00 C ATOM 745 O ASP A 54 -6.667 -11.589 -5.835 1.00 0.00 O ATOM 746 CB ASP A 54 -4.106 -11.580 -7.690 1.00 0.00 C ATOM 747 CG ASP A 54 -3.579 -11.752 -9.101 1.00 0.00 C ATOM 748 OD1 ASP A 54 -4.175 -12.541 -9.865 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.572 -11.096 -9.443 1.00 0.00 O ATOM 0 H ASP A 54 -4.917 -9.661 -5.862 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.613 -10.386 -8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.326 -11.145 -7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.341 -12.558 -7.271 1.00 0.00 H new ATOM 754 N PRO A 55 -7.374 -12.030 -7.926 1.00 0.00 N ATOM 755 CA PRO A 55 -8.542 -12.810 -7.516 1.00 0.00 C ATOM 756 C PRO A 55 -8.174 -14.228 -7.096 1.00 0.00 C ATOM 757 O PRO A 55 -8.997 -14.957 -6.542 1.00 0.00 O ATOM 758 CB PRO A 55 -9.398 -12.830 -8.779 1.00 0.00 C ATOM 759 CG PRO A 55 -8.416 -12.753 -9.897 1.00 0.00 C ATOM 760 CD PRO A 55 -7.258 -11.933 -9.391 1.00 0.00 C ATOM 0 HA PRO A 55 -9.042 -12.382 -6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.996 -13.739 -8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.092 -11.990 -8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.086 -13.749 -10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.864 -12.291 -10.776 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.305 -12.326 -9.744 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.321 -10.899 -9.730 1.00 0.00 H new ATOM 768 N LEU A 56 -6.929 -14.610 -7.359 1.00 0.00 N ATOM 769 CA LEU A 56 -6.443 -15.935 -7.006 1.00 0.00 C ATOM 770 C LEU A 56 -5.235 -15.834 -6.081 1.00 0.00 C ATOM 771 O LEU A 56 -4.702 -16.845 -5.625 1.00 0.00 O ATOM 772 CB LEU A 56 -6.075 -16.718 -8.265 1.00 0.00 C ATOM 773 CG LEU A 56 -6.902 -17.980 -8.504 1.00 0.00 C ATOM 774 CD1 LEU A 56 -6.300 -19.163 -7.762 1.00 0.00 C ATOM 775 CD2 LEU A 56 -8.347 -17.760 -8.078 1.00 0.00 C ATOM 0 H LEU A 56 -6.237 -14.017 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.239 -16.464 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.184 -16.061 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.023 -16.997 -8.207 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.888 -18.202 -9.571 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.903 -20.052 -7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.283 -19.335 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.281 -18.951 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.921 -18.669 -8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.380 -17.511 -7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.776 -16.941 -8.656 1.00 0.00 H new ATOM 787 N LEU A 57 -4.806 -14.604 -5.807 1.00 0.00 N ATOM 788 CA LEU A 57 -3.663 -14.374 -4.935 1.00 0.00 C ATOM 789 C LEU A 57 -3.823 -15.133 -3.629 1.00 0.00 C ATOM 790 O LEU A 57 -4.693 -14.819 -2.817 1.00 0.00 O ATOM 791 CB LEU A 57 -3.498 -12.881 -4.657 1.00 0.00 C ATOM 792 CG LEU A 57 -2.052 -12.416 -4.480 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.781 -11.187 -5.333 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.763 -12.127 -3.016 1.00 0.00 C ATOM 0 H LEU A 57 -5.233 -13.755 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.769 -14.739 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.947 -12.321 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.058 -12.630 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.388 -13.215 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.748 -10.869 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.950 -11.428 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.451 -10.381 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.730 -11.797 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.433 -11.344 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.919 -13.032 -2.429 1.00 0.00 H new ATOM 806 N CYS A 58 -2.983 -16.141 -3.434 1.00 0.00 N ATOM 807 CA CYS A 58 -3.038 -16.951 -2.228 1.00 0.00 C ATOM 808 C CYS A 58 -4.428 -17.548 -2.057 1.00 0.00 C ATOM 809 O CYS A 58 -4.801 -17.983 -0.968 1.00 0.00 O ATOM 810 CB CYS A 58 -2.661 -16.110 -1.009 1.00 0.00 C ATOM 811 SG CYS A 58 -1.028 -15.318 -1.147 1.00 0.00 S ATOM 0 H CYS A 58 -2.257 -16.416 -4.096 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.321 -17.767 -2.320 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.418 -15.340 -0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.674 -16.744 -0.122 1.00 0.00 H new ATOM 816 N ARG A 59 -5.185 -17.571 -3.150 1.00 0.00 N ATOM 817 CA ARG A 59 -6.531 -18.122 -3.137 1.00 0.00 C ATOM 818 C ARG A 59 -6.577 -19.395 -2.304 1.00 0.00 C ATOM 819 O ARG A 59 -7.558 -19.668 -1.612 1.00 0.00 O ATOM 820 CB ARG A 59 -6.988 -18.411 -4.567 1.00 0.00 C ATOM 821 CG ARG A 59 -8.498 -18.439 -4.734 1.00 0.00 C ATOM 822 CD ARG A 59 -8.973 -19.776 -5.278 1.00 0.00 C ATOM 823 NE ARG A 59 -9.881 -20.451 -4.354 1.00 0.00 N ATOM 824 CZ ARG A 59 -11.074 -19.973 -4.014 1.00 0.00 C ATOM 825 NH1 ARG A 59 -11.498 -18.823 -4.518 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.843 -20.645 -3.168 1.00 0.00 N ATOM 0 H ARG A 59 -4.886 -17.213 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.205 -17.392 -2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.572 -17.654 -5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.579 -19.371 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.975 -18.246 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.805 -17.640 -5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.476 -19.621 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.112 -20.415 -5.472 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.583 -21.338 -3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.909 -18.303 -5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.414 -18.458 -4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.519 -21.530 -2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.758 -20.277 -2.908 1.00 0.00 H new ATOM 840 N GLY A 60 -5.498 -20.167 -2.373 1.00 0.00 N ATOM 841 CA GLY A 60 -5.416 -21.402 -1.619 1.00 0.00 C ATOM 842 C GLY A 60 -4.241 -21.405 -0.663 1.00 0.00 C ATOM 843 O GLY A 60 -3.759 -22.464 -0.261 1.00 0.00 O ATOM 0 H GLY A 60 -4.676 -19.958 -2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.340 -21.547 -1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.326 -22.242 -2.308 1.00 0.00 H new ATOM 847 N GLY A 61 -3.776 -20.213 -0.302 1.00 0.00 N ATOM 848 CA GLY A 61 -2.651 -20.101 0.606 1.00 0.00 C ATOM 849 C GLY A 61 -2.795 -18.949 1.582 1.00 0.00 C ATOM 850 O GLY A 61 -3.834 -18.794 2.223 1.00 0.00 O ATOM 0 H GLY A 61 -4.159 -19.323 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.546 -21.032 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.736 -19.970 0.029 1.00 0.00 H new ATOM 854 N VAL A 62 -1.743 -18.144 1.699 1.00 0.00 N ATOM 855 CA VAL A 62 -1.744 -17.005 2.606 1.00 0.00 C ATOM 856 C VAL A 62 -1.124 -15.783 1.943 1.00 0.00 C ATOM 857 O VAL A 62 -0.028 -15.856 1.387 1.00 0.00 O ATOM 858 CB VAL A 62 -0.963 -17.318 3.896 1.00 0.00 C ATOM 859 CG1 VAL A 62 -0.832 -16.071 4.756 1.00 0.00 C ATOM 860 CG2 VAL A 62 -1.638 -18.441 4.669 1.00 0.00 C ATOM 0 H VAL A 62 -0.877 -18.262 1.174 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.784 -16.797 2.857 1.00 0.00 H new ATOM 0 HB VAL A 62 0.039 -17.648 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.277 -16.311 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.300 -15.299 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.824 -15.707 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.072 -18.649 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.652 -18.142 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.674 -19.338 4.051 1.00 0.00 H new ATOM 870 N CYS A 63 -1.827 -14.660 2.005 1.00 0.00 N ATOM 871 CA CYS A 63 -1.338 -13.427 1.410 1.00 0.00 C ATOM 872 C CYS A 63 -0.697 -12.531 2.460 1.00 0.00 C ATOM 873 O CYS A 63 -1.377 -11.753 3.129 1.00 0.00 O ATOM 874 CB CYS A 63 -2.476 -12.685 0.708 1.00 0.00 C ATOM 875 SG CYS A 63 -3.862 -12.234 1.799 1.00 0.00 S ATOM 0 H CYS A 63 -2.736 -14.579 2.461 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.579 -13.687 0.673 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.077 -11.778 0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.855 -13.308 -0.102 1.00 0.00 H new ATOM 880 N HIS A 64 0.620 -12.645 2.596 1.00 0.00 N ATOM 881 CA HIS A 64 1.357 -11.840 3.560 1.00 0.00 C ATOM 882 C HIS A 64 1.779 -10.519 2.931 1.00 0.00 C ATOM 883 O HIS A 64 2.967 -10.214 2.825 1.00 0.00 O ATOM 884 CB HIS A 64 2.589 -12.600 4.060 1.00 0.00 C ATOM 885 CG HIS A 64 2.315 -14.035 4.385 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.478 -15.058 3.474 1.00 0.00 N ATOM 887 CD2 HIS A 64 1.888 -14.618 5.530 1.00 0.00 C ATOM 888 CE1 HIS A 64 2.162 -16.207 4.045 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.803 -15.968 5.291 1.00 0.00 N ATOM 0 H HIS A 64 1.197 -13.286 2.051 1.00 0.00 H new ATOM 0 HA HIS A 64 0.705 -11.634 4.409 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.369 -12.550 3.301 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.977 -12.102 4.949 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.793 -14.945 2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.657 -14.116 6.458 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.193 -17.177 3.571 1.00 0.00 H new ATOM 898 N ASN A 65 0.786 -9.742 2.507 1.00 0.00 N ATOM 899 CA ASN A 65 1.030 -8.449 1.878 1.00 0.00 C ATOM 900 C ASN A 65 2.083 -7.652 2.639 1.00 0.00 C ATOM 901 O ASN A 65 1.873 -7.262 3.787 1.00 0.00 O ATOM 902 CB ASN A 65 -0.273 -7.649 1.800 1.00 0.00 C ATOM 903 CG ASN A 65 -0.054 -6.225 1.331 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.886 -5.556 1.758 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.925 -5.753 0.446 1.00 0.00 N ATOM 0 H ASN A 65 -0.200 -9.988 2.589 1.00 0.00 H new ATOM 0 HA ASN A 65 1.405 -8.631 0.871 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.963 -8.150 1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.746 -7.636 2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.829 -4.801 0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.690 -6.343 0.119 1.00 0.00 H new ATOM 912 N THR A 66 3.214 -7.411 1.987 1.00 0.00 N ATOM 913 CA THR A 66 4.303 -6.654 2.593 1.00 0.00 C ATOM 914 C THR A 66 4.474 -5.303 1.907 1.00 0.00 C ATOM 915 O THR A 66 3.571 -4.825 1.219 1.00 0.00 O ATOM 916 CB THR A 66 5.633 -7.426 2.519 1.00 0.00 C ATOM 917 OG1 THR A 66 6.304 -7.132 1.289 1.00 0.00 O ATOM 918 CG2 THR A 66 5.396 -8.925 2.627 1.00 0.00 C ATOM 0 H THR A 66 3.401 -7.730 1.036 1.00 0.00 H new ATOM 0 HA THR A 66 4.040 -6.500 3.640 1.00 0.00 H new ATOM 0 HB THR A 66 6.256 -7.111 3.356 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.647 -7.068 0.565 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.350 -9.449 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.913 -9.149 3.578 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.755 -9.252 1.808 1.00 0.00 H new ATOM 926 N GLU A 67 5.638 -4.692 2.098 1.00 0.00 N ATOM 927 CA GLU A 67 5.929 -3.396 1.497 1.00 0.00 C ATOM 928 C GLU A 67 6.471 -3.560 0.081 1.00 0.00 C ATOM 929 O GLU A 67 7.426 -4.303 -0.147 1.00 0.00 O ATOM 930 CB GLU A 67 6.936 -2.627 2.354 1.00 0.00 C ATOM 931 CG GLU A 67 6.287 -1.714 3.383 1.00 0.00 C ATOM 932 CD GLU A 67 7.259 -0.703 3.959 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.473 -1.000 3.994 1.00 0.00 O ATOM 934 OE2 GLU A 67 6.808 0.384 4.376 1.00 0.00 O ATOM 0 H GLU A 67 6.396 -5.074 2.665 1.00 0.00 H new ATOM 0 HA GLU A 67 4.998 -2.831 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.582 -3.339 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.574 -2.030 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.452 -1.188 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.875 -2.318 4.191 1.00 0.00 H new ATOM 941 N GLY A 68 5.854 -2.863 -0.869 1.00 0.00 N ATOM 942 CA GLY A 68 6.289 -2.946 -2.251 1.00 0.00 C ATOM 943 C GLY A 68 6.307 -4.371 -2.769 1.00 0.00 C ATOM 944 O GLY A 68 7.075 -4.699 -3.673 1.00 0.00 O ATOM 0 H GLY A 68 5.061 -2.243 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.627 -2.345 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.287 -2.517 -2.341 1.00 0.00 H new ATOM 948 N SER A 69 5.460 -5.218 -2.195 1.00 0.00 N ATOM 949 CA SER A 69 5.380 -6.616 -2.603 1.00 0.00 C ATOM 950 C SER A 69 4.557 -7.423 -1.606 1.00 0.00 C ATOM 951 O SER A 69 4.156 -6.913 -0.560 1.00 0.00 O ATOM 952 CB SER A 69 6.782 -7.214 -2.727 1.00 0.00 C ATOM 953 OG SER A 69 6.981 -7.786 -4.008 1.00 0.00 O ATOM 0 H SER A 69 4.818 -4.961 -1.445 1.00 0.00 H new ATOM 0 HA SER A 69 4.888 -6.659 -3.575 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.528 -6.439 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.926 -7.974 -1.959 1.00 0.00 H new ATOM 0 HG SER A 69 7.885 -8.160 -4.062 1.00 0.00 H new ATOM 959 N TYR A 70 4.309 -8.688 -1.933 1.00 0.00 N ATOM 960 CA TYR A 70 3.534 -9.561 -1.059 1.00 0.00 C ATOM 961 C TYR A 70 4.101 -10.973 -1.052 1.00 0.00 C ATOM 962 O TYR A 70 4.700 -11.420 -2.031 1.00 0.00 O ATOM 963 CB TYR A 70 2.068 -9.584 -1.494 1.00 0.00 C ATOM 964 CG TYR A 70 1.823 -10.340 -2.779 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.072 -9.749 -4.012 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.339 -11.641 -2.760 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.846 -10.435 -5.189 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.110 -12.334 -3.934 1.00 0.00 C ATOM 969 CZ TYR A 70 1.365 -11.727 -5.145 1.00 0.00 C ATOM 970 OH TYR A 70 1.138 -12.414 -6.316 1.00 0.00 O ATOM 0 H TYR A 70 4.632 -9.130 -2.794 1.00 0.00 H new ATOM 0 HA TYR A 70 3.597 -9.164 -0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.471 -10.033 -0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.719 -8.559 -1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.448 -8.737 -4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.138 -12.119 -1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.045 -9.962 -6.139 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.733 -13.346 -3.903 1.00 0.00 H new ATOM 0 HH TYR A 70 1.485 -11.896 -7.072 1.00 0.00 H new ATOM 980 N ARG A 71 3.912 -11.671 0.063 1.00 0.00 N ATOM 981 CA ARG A 71 4.408 -13.035 0.204 1.00 0.00 C ATOM 982 C ARG A 71 3.262 -14.040 0.211 1.00 0.00 C ATOM 983 O ARG A 71 2.464 -14.082 1.148 1.00 0.00 O ATOM 984 CB ARG A 71 5.226 -13.171 1.489 1.00 0.00 C ATOM 985 CG ARG A 71 5.839 -11.863 1.961 1.00 0.00 C ATOM 986 CD ARG A 71 6.553 -11.141 0.830 1.00 0.00 C ATOM 987 NE ARG A 71 7.979 -10.979 1.098 1.00 0.00 N ATOM 988 CZ ARG A 71 8.890 -11.904 0.814 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.524 -13.049 0.256 1.00 0.00 N ATOM 990 NH2 ARG A 71 10.168 -11.682 1.089 1.00 0.00 N ATOM 0 H ARG A 71 3.419 -11.315 0.882 1.00 0.00 H new ATOM 0 HA ARG A 71 5.046 -13.249 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.586 -13.568 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.022 -13.898 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.058 -11.221 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.543 -12.061 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.420 -11.698 -0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.099 -10.161 0.681 1.00 0.00 H new ATOM 0 HE ARG A 71 8.293 -10.108 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.541 -13.222 0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.225 -13.758 0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.452 -10.801 1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.867 -12.392 0.871 1.00 0.00 H new ATOM 1004 N CYS A 72 3.190 -14.852 -0.839 1.00 0.00 N ATOM 1005 CA CYS A 72 2.148 -15.864 -0.956 1.00 0.00 C ATOM 1006 C CYS A 72 2.660 -17.216 -0.474 1.00 0.00 C ATOM 1007 O CYS A 72 3.781 -17.614 -0.789 1.00 0.00 O ATOM 1008 CB CYS A 72 1.666 -15.959 -2.404 1.00 0.00 C ATOM 1009 SG CYS A 72 -0.090 -16.406 -2.580 1.00 0.00 S ATOM 0 H CYS A 72 3.843 -14.828 -1.622 1.00 0.00 H new ATOM 0 HA CYS A 72 1.307 -15.573 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.836 -15.001 -2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.272 -16.698 -2.929 1.00 0.00 H new ATOM 1014 N GLU A 73 1.842 -17.908 0.314 1.00 0.00 N ATOM 1015 CA GLU A 73 2.227 -19.203 0.861 1.00 0.00 C ATOM 1016 C GLU A 73 1.010 -20.102 1.074 1.00 0.00 C ATOM 1017 O GLU A 73 0.048 -19.709 1.726 1.00 0.00 O ATOM 1018 CB GLU A 73 2.948 -18.989 2.191 1.00 0.00 C ATOM 1019 CG GLU A 73 4.163 -19.882 2.384 1.00 0.00 C ATOM 1020 CD GLU A 73 4.817 -19.693 3.739 1.00 0.00 C ATOM 1021 OE1 GLU A 73 4.200 -19.043 4.609 1.00 0.00 O ATOM 1022 OE2 GLU A 73 5.944 -20.195 3.929 1.00 0.00 O ATOM 0 H GLU A 73 0.911 -17.594 0.587 1.00 0.00 H new ATOM 0 HA GLU A 73 2.888 -19.697 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.261 -17.947 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.246 -19.166 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.865 -20.924 2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.891 -19.672 1.601 1.00 0.00 H new ATOM 1029 N CYS A 74 1.070 -21.316 0.533 1.00 0.00 N ATOM 1030 CA CYS A 74 -0.025 -22.269 0.675 1.00 0.00 C ATOM 1031 C CYS A 74 -0.474 -22.393 2.135 1.00 0.00 C ATOM 1032 O CYS A 74 -1.671 -22.404 2.420 1.00 0.00 O ATOM 1033 CB CYS A 74 0.367 -23.638 0.117 1.00 0.00 C ATOM 1034 SG CYS A 74 -0.642 -24.178 -1.303 1.00 0.00 S ATOM 0 H CYS A 74 1.864 -21.662 -0.006 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.867 -21.889 0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.414 -23.610 -0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.284 -24.380 0.911 1.00 0.00 H new ATOM 1039 N PRO A 75 0.481 -22.509 3.087 1.00 0.00 N ATOM 1040 CA PRO A 75 1.924 -22.503 2.800 1.00 0.00 C ATOM 1041 C PRO A 75 2.427 -23.829 2.207 1.00 0.00 C ATOM 1042 O PRO A 75 2.959 -23.857 1.097 1.00 0.00 O ATOM 1043 CB PRO A 75 2.580 -22.236 4.171 1.00 0.00 C ATOM 1044 CG PRO A 75 1.446 -21.999 5.124 1.00 0.00 C ATOM 1045 CD PRO A 75 0.216 -22.610 4.520 1.00 0.00 C ATOM 0 HA PRO A 75 2.171 -21.754 2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.186 -23.085 4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.242 -21.371 4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.660 -22.447 6.094 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.302 -20.932 5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.081 -23.645 4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.687 -22.069 4.804 1.00 0.00 H new ATOM 1053 N PRO A 76 2.304 -24.956 2.947 1.00 0.00 N ATOM 1054 CA PRO A 76 2.775 -26.262 2.490 1.00 0.00 C ATOM 1055 C PRO A 76 1.757 -26.993 1.626 1.00 0.00 C ATOM 1056 O PRO A 76 0.892 -26.375 1.005 1.00 0.00 O ATOM 1057 CB PRO A 76 3.007 -27.045 3.791 1.00 0.00 C ATOM 1058 CG PRO A 76 2.512 -26.178 4.906 1.00 0.00 C ATOM 1059 CD PRO A 76 1.723 -25.056 4.289 1.00 0.00 C ATOM 0 HA PRO A 76 3.662 -26.160 1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 76 2.472 -27.995 3.772 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.064 -27.277 3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.889 -26.753 5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.347 -25.786 5.487 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.657 -25.282 4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.834 -24.127 4.849 1.00 0.00 H new ATOM 1067 N GLY A 77 1.872 -28.317 1.589 1.00 0.00 N ATOM 1068 CA GLY A 77 0.962 -29.116 0.797 1.00 0.00 C ATOM 1069 C GLY A 77 0.875 -28.622 -0.628 1.00 0.00 C ATOM 1070 O GLY A 77 -0.091 -28.908 -1.336 1.00 0.00 O ATOM 0 H GLY A 77 2.581 -28.849 2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.292 -30.155 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.029 -29.094 1.250 1.00 0.00 H new ATOM 1074 N HIS A 78 1.888 -27.872 -1.049 1.00 0.00 N ATOM 1075 CA HIS A 78 1.917 -27.333 -2.397 1.00 0.00 C ATOM 1076 C HIS A 78 3.013 -26.290 -2.557 1.00 0.00 C ATOM 1077 O HIS A 78 3.870 -26.127 -1.689 1.00 0.00 O ATOM 1078 CB HIS A 78 0.567 -26.709 -2.736 1.00 0.00 C ATOM 1079 CG HIS A 78 -0.268 -27.577 -3.619 1.00 0.00 C ATOM 1080 ND1 HIS A 78 0.260 -28.285 -4.676 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -1.593 -27.859 -3.601 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -0.700 -28.963 -5.272 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -1.835 -28.724 -4.639 1.00 0.00 N ATOM 0 H HIS A 78 2.695 -27.626 -0.476 1.00 0.00 H new ATOM 0 HA HIS A 78 2.127 -28.156 -3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.023 -26.508 -1.813 1.00 0.00 H new ATOM 0 HB3 HIS A 78 0.729 -25.749 -3.226 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -2.321 -27.476 -2.902 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.580 -29.605 -6.132 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.744 -29.118 -4.882 1.00 0.00 H new ATOM 1092 N GLN A 79 2.967 -25.582 -3.678 1.00 0.00 N ATOM 1093 CA GLN A 79 3.940 -24.539 -3.969 1.00 0.00 C ATOM 1094 C GLN A 79 3.221 -23.259 -4.365 1.00 0.00 C ATOM 1095 O GLN A 79 2.831 -23.088 -5.520 1.00 0.00 O ATOM 1096 CB GLN A 79 4.882 -24.983 -5.090 1.00 0.00 C ATOM 1097 CG GLN A 79 6.201 -24.229 -5.110 1.00 0.00 C ATOM 1098 CD GLN A 79 6.716 -23.994 -6.517 1.00 0.00 C ATOM 1099 OE1 GLN A 79 7.413 -23.013 -6.780 1.00 0.00 O ATOM 1100 NE2 GLN A 79 6.374 -24.893 -7.431 1.00 0.00 N ATOM 0 H GLN A 79 2.262 -25.713 -4.404 1.00 0.00 H new ATOM 0 HA GLN A 79 4.533 -24.353 -3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.084 -26.049 -4.983 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.381 -24.848 -6.049 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.075 -23.270 -4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.945 -24.790 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.795 -25.691 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.690 -24.786 -8.395 1.00 0.00 H new ATOM 1109 N LEU A 80 3.026 -22.369 -3.399 1.00 0.00 N ATOM 1110 CA LEU A 80 2.329 -21.121 -3.661 1.00 0.00 C ATOM 1111 C LEU A 80 3.192 -20.157 -4.461 1.00 0.00 C ATOM 1112 O LEU A 80 4.279 -19.767 -4.031 1.00 0.00 O ATOM 1113 CB LEU A 80 1.865 -20.469 -2.357 1.00 0.00 C ATOM 1114 CG LEU A 80 1.024 -19.195 -2.516 1.00 0.00 C ATOM 1115 CD1 LEU A 80 0.479 -19.059 -3.933 1.00 0.00 C ATOM 1116 CD2 LEU A 80 -0.117 -19.190 -1.511 1.00 0.00 C ATOM 0 H LEU A 80 3.339 -22.489 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 80 1.450 -21.359 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.284 -21.199 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.744 -20.230 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 80 1.673 -18.340 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.112 -18.146 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.308 -19.015 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.150 -19.918 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.706 -18.281 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.752 -20.060 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.289 -19.225 -0.500 1.00 0.00 H new ATOM 1128 N SER A 81 2.692 -19.779 -5.630 1.00 0.00 N ATOM 1129 CA SER A 81 3.396 -18.861 -6.512 1.00 0.00 C ATOM 1130 C SER A 81 3.889 -17.633 -5.750 1.00 0.00 C ATOM 1131 O SER A 81 3.106 -16.929 -5.112 1.00 0.00 O ATOM 1132 CB SER A 81 2.478 -18.430 -7.653 1.00 0.00 C ATOM 1133 OG SER A 81 2.068 -17.083 -7.497 1.00 0.00 O ATOM 0 H SER A 81 1.793 -20.098 -5.991 1.00 0.00 H new ATOM 0 HA SER A 81 4.264 -19.380 -6.919 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.996 -18.548 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.602 -19.079 -7.684 1.00 0.00 H new ATOM 0 HG SER A 81 2.040 -16.858 -6.544 1.00 0.00 H new ATOM 1139 N PRO A 82 5.200 -17.368 -5.810 1.00 0.00 N ATOM 1140 CA PRO A 82 5.815 -16.227 -5.127 1.00 0.00 C ATOM 1141 C PRO A 82 5.051 -14.923 -5.344 1.00 0.00 C ATOM 1142 O PRO A 82 4.880 -14.137 -4.413 1.00 0.00 O ATOM 1143 CB PRO A 82 7.202 -16.147 -5.763 1.00 0.00 C ATOM 1144 CG PRO A 82 7.509 -17.546 -6.168 1.00 0.00 C ATOM 1145 CD PRO A 82 6.193 -18.170 -6.548 1.00 0.00 C ATOM 0 HA PRO A 82 5.828 -16.362 -4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.207 -15.475 -6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.941 -15.767 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.206 -17.565 -7.006 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.978 -18.094 -5.351 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.024 -18.125 -7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.151 -19.221 -6.262 1.00 0.00 H new ATOM 1153 N ASN A 83 4.601 -14.689 -6.575 1.00 0.00 N ATOM 1154 CA ASN A 83 3.867 -13.467 -6.887 1.00 0.00 C ATOM 1155 C ASN A 83 2.933 -13.649 -8.083 1.00 0.00 C ATOM 1156 O ASN A 83 2.508 -12.671 -8.697 1.00 0.00 O ATOM 1157 CB ASN A 83 4.843 -12.322 -7.162 1.00 0.00 C ATOM 1158 CG ASN A 83 5.545 -11.846 -5.905 1.00 0.00 C ATOM 1159 OD1 ASN A 83 6.770 -11.723 -5.873 1.00 0.00 O ATOM 1160 ND2 ASN A 83 4.771 -11.574 -4.861 1.00 0.00 N ATOM 0 H ASN A 83 4.730 -15.322 -7.364 1.00 0.00 H new ATOM 0 HA ASN A 83 3.253 -13.226 -6.019 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.587 -12.649 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.303 -11.488 -7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.187 -11.249 -3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.760 -11.690 -4.932 1.00 0.00 H new ATOM 1167 N ILE A 84 2.606 -14.896 -8.407 1.00 0.00 N ATOM 1168 CA ILE A 84 1.711 -15.174 -9.526 1.00 0.00 C ATOM 1169 C ILE A 84 0.260 -15.243 -9.054 1.00 0.00 C ATOM 1170 O ILE A 84 -0.669 -15.236 -9.862 1.00 0.00 O ATOM 1171 CB ILE A 84 2.074 -16.487 -10.247 1.00 0.00 C ATOM 1172 CG1 ILE A 84 3.555 -16.492 -10.636 1.00 0.00 C ATOM 1173 CG2 ILE A 84 1.200 -16.671 -11.478 1.00 0.00 C ATOM 1174 CD1 ILE A 84 4.496 -16.460 -9.451 1.00 0.00 C ATOM 0 H ILE A 84 2.944 -15.724 -7.916 1.00 0.00 H new ATOM 0 HA ILE A 84 1.829 -14.353 -10.233 1.00 0.00 H new ATOM 0 HB ILE A 84 1.894 -17.319 -9.566 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.763 -17.382 -11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.757 -15.631 -11.272 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.467 -17.602 -11.978 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.153 -16.707 -11.178 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.353 -15.836 -12.161 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.527 -16.466 -9.805 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.317 -15.556 -8.869 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.323 -17.335 -8.825 1.00 0.00 H new ATOM 1186 N SER A 85 0.076 -15.291 -7.736 1.00 0.00 N ATOM 1187 CA SER A 85 -1.256 -15.338 -7.139 1.00 0.00 C ATOM 1188 C SER A 85 -2.005 -16.615 -7.517 1.00 0.00 C ATOM 1189 O SER A 85 -2.712 -16.644 -8.524 1.00 0.00 O ATOM 1190 CB SER A 85 -2.071 -14.114 -7.567 1.00 0.00 C ATOM 1191 OG SER A 85 -1.386 -13.355 -8.549 1.00 0.00 O ATOM 0 H SER A 85 0.838 -15.298 -7.058 1.00 0.00 H new ATOM 0 HA SER A 85 -1.128 -15.333 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.035 -14.436 -7.961 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.275 -13.488 -6.698 1.00 0.00 H new ATOM 0 HG SER A 85 -1.509 -13.770 -9.428 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.853 -17.656 -6.683 1.00 0.00 N ATOM 1198 CA ALA A 86 -2.516 -18.953 -6.887 1.00 0.00 C ATOM 1199 C ALA A 86 -1.561 -20.113 -6.609 1.00 0.00 C ATOM 1200 O ALA A 86 -0.597 -20.318 -7.347 1.00 0.00 O ATOM 1201 CB ALA A 86 -3.068 -19.082 -8.300 1.00 0.00 C ATOM 0 H ALA A 86 -1.267 -17.622 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.345 -18.997 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.551 -20.052 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.796 -18.291 -8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.253 -18.995 -9.018 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.830 -20.879 -5.550 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.979 -22.017 -5.210 1.00 0.00 C ATOM 1209 C CYS A 87 -1.102 -23.114 -6.260 1.00 0.00 C ATOM 1210 O CYS A 87 -2.084 -23.170 -7.002 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.324 -22.574 -3.820 1.00 0.00 C ATOM 1212 SG CYS A 87 0.130 -23.146 -2.873 1.00 0.00 S ATOM 0 H CYS A 87 -2.620 -20.734 -4.921 1.00 0.00 H new ATOM 0 HA CYS A 87 0.052 -21.664 -5.190 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.838 -21.802 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.021 -23.404 -3.934 1.00 0.00 H new ATOM 1217 N ILE A 88 -0.098 -23.983 -6.324 1.00 0.00 N ATOM 1218 CA ILE A 88 -0.098 -25.073 -7.292 1.00 0.00 C ATOM 1219 C ILE A 88 -0.304 -26.414 -6.604 1.00 0.00 C ATOM 1220 O ILE A 88 0.450 -27.360 -6.917 1.00 0.00 O ATOM 1221 CB ILE A 88 1.219 -25.115 -8.091 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.564 -23.724 -8.624 1.00 0.00 C ATOM 1223 CG2 ILE A 88 1.115 -26.115 -9.233 1.00 0.00 C ATOM 1224 CD1 ILE A 88 3.006 -23.584 -9.062 1.00 0.00 C ATOM 1225 OXT ILE A 88 -1.217 -26.508 -5.758 1.00 0.00 O ATOM 0 H ILE A 88 0.723 -23.954 -5.719 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.924 -24.888 -7.979 1.00 0.00 H new ATOM 0 HB ILE A 88 2.019 -25.436 -7.424 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.913 -23.495 -9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.355 -22.985 -7.850 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.053 -26.133 -9.788 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.913 -27.107 -8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.304 -25.822 -9.900 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.178 -22.572 -9.428 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.664 -23.781 -8.216 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.215 -24.299 -9.858 1.00 0.00 H new