USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 645 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 64 GLN : amide:sc= -8.48! C(o=-11!,f=-14!) USER MOD Set 1.2: A 66 HIS :FLIP no HD1:sc= -2.38 F(o=-12!,f=-11) USER MOD Set 2.1: A 56 GLN :FLIP amide:sc= -2.09 F(o=-7.8!,f=-4.9) USER MOD Set 2.2: A 61 CYS SG : rot -24:sc= -2.84 USER MOD Set 3.1: A 32 SER OG : rot -22:sc= 0.206 USER MOD Set 3.2: A 33 LYS NZ :NH3+ -136:sc= -0.852 (180deg=-2.9!) USER MOD Set 4.1: A 29 CYS SG : rot -109:sc= -1.25 USER MOD Set 4.2: A 78 CYS SG : rot 112:sc= 1.31 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.257 F(o=-1.1,f=-0.26) USER MOD Single : A 20 MET CE :methyl 175:sc= -0.439 (180deg=-0.532) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -37:sc= -0.394! USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -38:sc= 0.414 USER MOD Single : A 70 MET CE :methyl 137:sc= -4.31! (180deg=-8.7!) USER MOD Single : A 73 ASN : amide:sc= -0.289 K(o=-0.29,f=-7.1!) USER MOD Single : A 76 TYR OH : rot -46:sc= 0.0566 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 176:sc= 0.476 USER MOD Single : A 82 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.42) USER MOD Single : A 85 THR OG1 : rot -160:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 8.034 15.771 -3.290 1.00 0.00 N ATOM 67 CA ALA A 8 7.022 15.644 -2.248 1.00 0.00 C ATOM 68 C ALA A 8 7.502 14.731 -1.126 1.00 0.00 C ATOM 69 O ALA A 8 8.016 13.640 -1.376 1.00 0.00 O ATOM 70 CB ALA A 8 5.721 15.121 -2.837 1.00 0.00 C ATOM 0 HA ALA A 8 6.845 16.633 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.975 15.031 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.362 15.813 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.893 14.143 -3.287 1.00 0.00 H new ATOM 76 N ARG A 9 7.332 15.183 0.113 1.00 0.00 N ATOM 77 CA ARG A 9 7.750 14.407 1.274 1.00 0.00 C ATOM 78 C ARG A 9 6.701 13.358 1.632 1.00 0.00 C ATOM 79 O ARG A 9 5.693 13.211 0.941 1.00 0.00 O ATOM 80 CB ARG A 9 7.994 15.329 2.470 1.00 0.00 C ATOM 81 CG ARG A 9 8.817 16.561 2.131 1.00 0.00 C ATOM 82 CD ARG A 9 9.553 17.092 3.351 1.00 0.00 C ATOM 83 NE ARG A 9 8.654 17.774 4.278 1.00 0.00 N ATOM 84 CZ ARG A 9 9.025 18.203 5.480 1.00 0.00 C ATOM 85 NH1 ARG A 9 10.271 18.022 5.896 1.00 0.00 N ATOM 86 NH2 ARG A 9 8.150 18.815 6.266 1.00 0.00 N ATOM 0 H ARG A 9 6.908 16.083 0.338 1.00 0.00 H new ATOM 0 HA ARG A 9 8.680 13.896 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.033 15.645 2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.502 14.767 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.536 16.316 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.164 17.337 1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.046 16.267 3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.335 17.781 3.031 1.00 0.00 H new ATOM 0 HE ARG A 9 7.689 17.930 3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.947 17.553 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.554 18.352 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.191 18.957 5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.436 19.144 7.188 1.00 0.00 H new ATOM 100 N PHE A 10 6.947 12.630 2.716 1.00 0.00 N ATOM 101 CA PHE A 10 6.025 11.593 3.166 1.00 0.00 C ATOM 102 C PHE A 10 5.534 11.879 4.582 1.00 0.00 C ATOM 103 O PHE A 10 6.088 11.374 5.559 1.00 0.00 O ATOM 104 CB PHE A 10 6.702 10.222 3.116 1.00 0.00 C ATOM 105 CG PHE A 10 6.700 9.602 1.749 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.519 9.149 1.181 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.877 9.472 1.030 1.00 0.00 C ATOM 108 CE1 PHE A 10 5.515 8.577 -0.077 1.00 0.00 C ATOM 109 CE2 PHE A 10 7.879 8.901 -0.229 1.00 0.00 C ATOM 110 CZ PHE A 10 6.696 8.454 -0.784 1.00 0.00 C ATOM 0 H PHE A 10 7.777 12.739 3.299 1.00 0.00 H new ATOM 0 HA PHE A 10 5.165 11.591 2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.732 10.321 3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.197 9.551 3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.592 9.244 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.805 9.821 1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.589 8.226 -0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.804 8.805 -0.778 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.694 8.009 -1.768 1.00 0.00 H new ATOM 120 N THR A 11 4.489 12.695 4.686 1.00 0.00 N ATOM 121 CA THR A 11 3.923 13.050 5.982 1.00 0.00 C ATOM 122 C THR A 11 3.140 11.886 6.578 1.00 0.00 C ATOM 123 O THR A 11 3.224 11.620 7.777 1.00 0.00 O ATOM 124 CB THR A 11 2.995 14.275 5.872 1.00 0.00 C ATOM 125 OG1 THR A 11 2.058 14.278 6.954 1.00 0.00 O ATOM 126 CG2 THR A 11 2.248 14.272 4.547 1.00 0.00 C ATOM 0 H THR A 11 4.018 13.122 3.889 1.00 0.00 H new ATOM 0 HA THR A 11 4.760 13.294 6.636 1.00 0.00 H new ATOM 0 HB THR A 11 3.610 15.174 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.473 15.060 6.878 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.599 15.146 4.493 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.964 14.300 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.645 13.367 4.472 1.00 0.00 H new ATOM 134 N GLU A 12 2.381 11.195 5.734 1.00 0.00 N ATOM 135 CA GLU A 12 1.583 10.059 6.180 1.00 0.00 C ATOM 136 C GLU A 12 2.038 8.773 5.496 1.00 0.00 C ATOM 137 O GLU A 12 1.220 7.979 5.035 1.00 0.00 O ATOM 138 CB GLU A 12 0.100 10.304 5.893 1.00 0.00 C ATOM 139 CG GLU A 12 -0.412 11.631 6.427 1.00 0.00 C ATOM 140 CD GLU A 12 -0.954 11.522 7.838 1.00 0.00 C ATOM 141 OE1 GLU A 12 -2.105 11.062 7.997 1.00 0.00 O ATOM 142 OE2 GLU A 12 -0.230 11.896 8.784 1.00 0.00 O ATOM 0 H GLU A 12 2.302 11.402 4.738 1.00 0.00 H new ATOM 0 HA GLU A 12 1.724 9.949 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.064 10.268 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.485 9.495 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.396 12.362 6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.196 12.005 5.769 1.00 0.00 H new ATOM 149 N GLY A 13 3.352 8.575 5.435 1.00 0.00 N ATOM 150 CA GLY A 13 3.894 7.385 4.806 1.00 0.00 C ATOM 151 C GLY A 13 3.094 6.140 5.133 1.00 0.00 C ATOM 152 O GLY A 13 2.320 6.125 6.091 1.00 0.00 O ATOM 0 H GLY A 13 4.050 9.217 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.914 7.526 3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.926 7.245 5.129 1.00 0.00 H new ATOM 156 N LEU A 14 3.278 5.094 4.336 1.00 0.00 N ATOM 157 CA LEU A 14 2.566 3.838 4.545 1.00 0.00 C ATOM 158 C LEU A 14 2.599 3.431 6.014 1.00 0.00 C ATOM 159 O LEU A 14 3.425 3.920 6.786 1.00 0.00 O ATOM 160 CB LEU A 14 3.179 2.732 3.684 1.00 0.00 C ATOM 161 CG LEU A 14 2.851 2.784 2.191 1.00 0.00 C ATOM 162 CD1 LEU A 14 3.709 1.792 1.421 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.373 2.505 1.960 1.00 0.00 C ATOM 0 H LEU A 14 3.914 5.090 3.539 1.00 0.00 H new ATOM 0 HA LEU A 14 1.527 3.985 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.262 2.768 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.849 1.770 4.075 1.00 0.00 H new ATOM 0 HG LEU A 14 3.073 3.786 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.462 1.843 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.762 2.037 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.519 0.784 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.158 2.546 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.126 1.515 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.776 3.254 2.480 1.00 0.00 H new ATOM 175 N ARG A 15 1.697 2.532 6.395 1.00 0.00 N ATOM 176 CA ARG A 15 1.624 2.059 7.771 1.00 0.00 C ATOM 177 C ARG A 15 1.432 0.545 7.817 1.00 0.00 C ATOM 178 O ARG A 15 0.900 -0.051 6.882 1.00 0.00 O ATOM 179 CB ARG A 15 0.477 2.751 8.511 1.00 0.00 C ATOM 180 CG ARG A 15 0.735 4.222 8.793 1.00 0.00 C ATOM 181 CD ARG A 15 1.625 4.408 10.011 1.00 0.00 C ATOM 182 NE ARG A 15 0.922 4.105 11.255 1.00 0.00 N ATOM 183 CZ ARG A 15 1.497 4.140 12.452 1.00 0.00 C ATOM 184 NH1 ARG A 15 2.778 4.464 12.566 1.00 0.00 N ATOM 185 NH2 ARG A 15 0.791 3.852 13.537 1.00 0.00 N ATOM 0 H ARG A 15 1.007 2.117 5.769 1.00 0.00 H new ATOM 0 HA ARG A 15 2.565 2.304 8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.434 2.657 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.300 2.234 9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.205 4.683 7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.214 4.735 8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.499 3.763 9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.988 5.435 10.041 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.065 3.853 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.324 4.687 11.734 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.217 4.490 13.486 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.195 3.603 13.453 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.234 3.879 14.456 1.00 0.00 H new ATOM 199 N ASN A 16 1.871 -0.069 8.910 1.00 0.00 N ATOM 200 CA ASN A 16 1.749 -1.513 9.077 1.00 0.00 C ATOM 201 C ASN A 16 0.298 -1.958 8.919 1.00 0.00 C ATOM 202 O ASN A 16 -0.569 -1.566 9.700 1.00 0.00 O ATOM 203 CB ASN A 16 2.277 -1.935 10.449 1.00 0.00 C ATOM 204 CG ASN A 16 1.835 -0.995 11.554 1.00 0.00 C ATOM 205 OD1 ASN A 16 2.694 -0.806 12.549 1.00 0.00 O flip ATOM 206 ND2 ASN A 16 0.734 -0.445 11.512 1.00 0.00 N flip ATOM 0 H ASN A 16 2.314 0.410 9.694 1.00 0.00 H new ATOM 0 HA ASN A 16 2.345 -1.995 8.302 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.930 -2.944 10.674 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.366 -1.971 10.421 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.106 -0.620 10.727 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.450 0.186 12.262 1.00 0.00 H new ATOM 213 N GLU A 17 0.043 -2.778 7.905 1.00 0.00 N ATOM 214 CA GLU A 17 -1.303 -3.276 7.646 1.00 0.00 C ATOM 215 C GLU A 17 -1.378 -4.783 7.871 1.00 0.00 C ATOM 216 O GLU A 17 -0.355 -5.464 7.930 1.00 0.00 O ATOM 217 CB GLU A 17 -1.728 -2.941 6.214 1.00 0.00 C ATOM 218 CG GLU A 17 -3.233 -2.953 6.007 1.00 0.00 C ATOM 219 CD GLU A 17 -3.979 -2.218 7.104 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.443 -1.213 7.615 1.00 0.00 O ATOM 221 OE2 GLU A 17 -5.099 -2.648 7.450 1.00 0.00 O ATOM 0 H GLU A 17 0.750 -3.112 7.250 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.984 -2.788 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.341 -1.957 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.270 -3.657 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.467 -2.497 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.582 -3.985 5.964 1.00 0.00 H new ATOM 228 N GLU A 18 -2.598 -5.297 7.996 1.00 0.00 N ATOM 229 CA GLU A 18 -2.807 -6.723 8.216 1.00 0.00 C ATOM 230 C GLU A 18 -4.074 -7.202 7.513 1.00 0.00 C ATOM 231 O GLU A 18 -5.101 -6.524 7.531 1.00 0.00 O ATOM 232 CB GLU A 18 -2.896 -7.023 9.713 1.00 0.00 C ATOM 233 CG GLU A 18 -3.305 -8.453 10.024 1.00 0.00 C ATOM 234 CD GLU A 18 -4.783 -8.701 9.794 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.551 -7.717 9.762 1.00 0.00 O ATOM 236 OE2 GLU A 18 -5.172 -9.878 9.645 1.00 0.00 O ATOM 0 H GLU A 18 -3.456 -4.747 7.949 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.955 -7.258 7.796 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.929 -6.822 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.614 -6.341 10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.725 -9.136 9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.060 -8.679 11.062 1.00 0.00 H new ATOM 243 N ALA A 19 -3.993 -8.376 6.895 1.00 0.00 N ATOM 244 CA ALA A 19 -5.133 -8.947 6.188 1.00 0.00 C ATOM 245 C ALA A 19 -5.028 -10.466 6.114 1.00 0.00 C ATOM 246 O ALA A 19 -3.947 -11.032 6.280 1.00 0.00 O ATOM 247 CB ALA A 19 -5.237 -8.355 4.790 1.00 0.00 C ATOM 0 H ALA A 19 -3.150 -8.950 6.870 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.036 -8.698 6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.092 -8.790 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.367 -7.275 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.326 -8.575 4.233 1.00 0.00 H new ATOM 253 N MET A 20 -6.157 -11.122 5.864 1.00 0.00 N ATOM 254 CA MET A 20 -6.190 -12.576 5.768 1.00 0.00 C ATOM 255 C MET A 20 -5.855 -13.036 4.353 1.00 0.00 C ATOM 256 O MET A 20 -6.124 -12.329 3.382 1.00 0.00 O ATOM 257 CB MET A 20 -7.568 -13.104 6.175 1.00 0.00 C ATOM 258 CG MET A 20 -7.699 -13.374 7.665 1.00 0.00 C ATOM 259 SD MET A 20 -8.867 -14.698 8.031 1.00 0.00 S ATOM 260 CE MET A 20 -7.758 -15.976 8.618 1.00 0.00 C ATOM 0 H MET A 20 -7.060 -10.669 5.724 1.00 0.00 H new ATOM 0 HA MET A 20 -5.439 -12.977 6.449 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.328 -12.381 5.877 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.772 -14.025 5.628 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.721 -13.635 8.070 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.020 -12.462 8.169 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.339 -16.829 8.968 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.103 -16.291 7.805 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.156 -15.586 9.439 1.00 0.00 H new ATOM 270 N GLU A 21 -5.266 -14.222 4.244 1.00 0.00 N ATOM 271 CA GLU A 21 -4.893 -14.774 2.947 1.00 0.00 C ATOM 272 C GLU A 21 -6.119 -14.940 2.054 1.00 0.00 C ATOM 273 O GLU A 21 -7.225 -15.181 2.537 1.00 0.00 O ATOM 274 CB GLU A 21 -4.191 -16.122 3.124 1.00 0.00 C ATOM 275 CG GLU A 21 -4.254 -17.007 1.890 1.00 0.00 C ATOM 276 CD GLU A 21 -3.362 -18.228 2.002 1.00 0.00 C ATOM 277 OE1 GLU A 21 -2.142 -18.056 2.204 1.00 0.00 O ATOM 278 OE2 GLU A 21 -3.885 -19.357 1.888 1.00 0.00 O ATOM 0 H GLU A 21 -5.037 -14.819 5.038 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.207 -14.076 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.147 -15.947 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.643 -16.650 3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.283 -17.327 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.961 -16.426 1.016 1.00 0.00 H new ATOM 285 N GLY A 22 -5.914 -14.808 0.747 1.00 0.00 N ATOM 286 CA GLY A 22 -7.011 -14.946 -0.194 1.00 0.00 C ATOM 287 C GLY A 22 -7.904 -13.721 -0.226 1.00 0.00 C ATOM 288 O GLY A 22 -8.934 -13.714 -0.899 1.00 0.00 O ATOM 0 H GLY A 22 -5.008 -14.608 0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.610 -15.126 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.606 -15.819 0.072 1.00 0.00 H new ATOM 292 N ALA A 23 -7.509 -12.683 0.504 1.00 0.00 N ATOM 293 CA ALA A 23 -8.281 -11.448 0.556 1.00 0.00 C ATOM 294 C ALA A 23 -7.636 -10.361 -0.297 1.00 0.00 C ATOM 295 O ALA A 23 -6.589 -10.577 -0.908 1.00 0.00 O ATOM 296 CB ALA A 23 -8.426 -10.976 1.995 1.00 0.00 C ATOM 0 H ALA A 23 -6.659 -12.673 1.067 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.272 -11.651 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.005 -10.053 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.939 -11.741 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.439 -10.796 2.420 1.00 0.00 H new ATOM 302 N THR A 24 -8.267 -9.192 -0.335 1.00 0.00 N ATOM 303 CA THR A 24 -7.755 -8.072 -1.114 1.00 0.00 C ATOM 304 C THR A 24 -7.173 -6.992 -0.209 1.00 0.00 C ATOM 305 O THR A 24 -7.901 -6.153 0.320 1.00 0.00 O ATOM 306 CB THR A 24 -8.857 -7.450 -1.993 1.00 0.00 C ATOM 307 OG1 THR A 24 -9.388 -8.436 -2.885 1.00 0.00 O ATOM 308 CG2 THR A 24 -8.312 -6.276 -2.794 1.00 0.00 C ATOM 0 H THR A 24 -9.134 -8.996 0.165 1.00 0.00 H new ATOM 0 HA THR A 24 -6.967 -8.467 -1.755 1.00 0.00 H new ATOM 0 HB THR A 24 -9.650 -7.087 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.089 -8.033 -3.439 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.108 -5.853 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.935 -5.514 -2.112 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.502 -6.619 -3.438 1.00 0.00 H new ATOM 316 N ALA A 25 -5.856 -7.019 -0.036 1.00 0.00 N ATOM 317 CA ALA A 25 -5.175 -6.041 0.804 1.00 0.00 C ATOM 318 C ALA A 25 -5.410 -4.623 0.294 1.00 0.00 C ATOM 319 O ALA A 25 -6.000 -4.423 -0.769 1.00 0.00 O ATOM 320 CB ALA A 25 -3.685 -6.342 0.864 1.00 0.00 C ATOM 0 H ALA A 25 -5.239 -7.708 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.589 -6.112 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.190 -5.604 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.531 -7.337 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.265 -6.301 -0.141 1.00 0.00 H new ATOM 326 N THR A 26 -4.946 -3.640 1.059 1.00 0.00 N ATOM 327 CA THR A 26 -5.106 -2.240 0.686 1.00 0.00 C ATOM 328 C THR A 26 -4.195 -1.342 1.514 1.00 0.00 C ATOM 329 O THR A 26 -4.319 -1.275 2.738 1.00 0.00 O ATOM 330 CB THR A 26 -6.564 -1.776 0.862 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.462 -2.837 0.517 1.00 0.00 O ATOM 332 CG2 THR A 26 -6.853 -0.559 -0.004 1.00 0.00 C ATOM 0 H THR A 26 -4.456 -3.788 1.941 1.00 0.00 H new ATOM 0 HA THR A 26 -4.831 -2.160 -0.366 1.00 0.00 H new ATOM 0 HB THR A 26 -6.711 -1.502 1.907 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.104 -3.333 -0.249 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.889 -0.250 0.137 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.189 0.257 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.689 -0.811 -1.052 1.00 0.00 H new ATOM 340 N LEU A 27 -3.281 -0.653 0.841 1.00 0.00 N ATOM 341 CA LEU A 27 -2.348 0.243 1.516 1.00 0.00 C ATOM 342 C LEU A 27 -2.620 1.696 1.140 1.00 0.00 C ATOM 343 O LEU A 27 -2.747 2.028 -0.039 1.00 0.00 O ATOM 344 CB LEU A 27 -0.907 -0.126 1.161 1.00 0.00 C ATOM 345 CG LEU A 27 -0.444 -1.516 1.598 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.713 -1.990 0.732 1.00 0.00 C ATOM 347 CD2 LEU A 27 -0.044 -1.508 3.066 1.00 0.00 C ATOM 0 H LEU A 27 -3.166 -0.697 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.490 0.132 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.789 -0.049 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.243 0.614 1.608 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.275 -2.211 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.029 -2.981 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.394 -2.035 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.547 -1.294 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.283 -2.506 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.771 -0.800 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.899 -1.213 3.674 1.00 0.00 H new ATOM 359 N GLN A 28 -2.705 2.558 2.148 1.00 0.00 N ATOM 360 CA GLN A 28 -2.960 3.975 1.922 1.00 0.00 C ATOM 361 C GLN A 28 -1.769 4.820 2.364 1.00 0.00 C ATOM 362 O GLN A 28 -0.945 4.377 3.165 1.00 0.00 O ATOM 363 CB GLN A 28 -4.219 4.415 2.671 1.00 0.00 C ATOM 364 CG GLN A 28 -4.940 5.582 2.017 1.00 0.00 C ATOM 365 CD GLN A 28 -6.293 5.857 2.644 1.00 0.00 C ATOM 366 OE1 GLN A 28 -6.588 5.387 3.743 1.00 0.00 O ATOM 367 NE2 GLN A 28 -7.124 6.623 1.946 1.00 0.00 N ATOM 0 H GLN A 28 -2.601 2.299 3.129 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.112 4.125 0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.903 3.570 2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.947 4.692 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.320 6.476 2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.071 5.374 0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.838 6.991 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.048 6.843 2.317 1.00 0.00 H new ATOM 376 N CYS A 29 -1.685 6.037 1.838 1.00 0.00 N ATOM 377 CA CYS A 29 -0.594 6.943 2.178 1.00 0.00 C ATOM 378 C CYS A 29 -0.865 8.345 1.640 1.00 0.00 C ATOM 379 O CYS A 29 -1.625 8.518 0.688 1.00 0.00 O ATOM 380 CB CYS A 29 0.728 6.415 1.619 1.00 0.00 C ATOM 381 SG CYS A 29 0.710 6.120 -0.165 1.00 0.00 S ATOM 0 H CYS A 29 -2.359 6.419 1.175 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.524 6.998 3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.519 7.129 1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.979 5.484 2.128 1.00 0.00 H new ATOM 0 HG CYS A 29 0.727 4.840 -0.393 1.00 0.00 H new ATOM 387 N GLU A 30 -0.238 9.341 2.258 1.00 0.00 N ATOM 388 CA GLU A 30 -0.414 10.728 1.842 1.00 0.00 C ATOM 389 C GLU A 30 0.936 11.419 1.671 1.00 0.00 C ATOM 390 O GLU A 30 1.879 11.159 2.419 1.00 0.00 O ATOM 391 CB GLU A 30 -1.262 11.486 2.865 1.00 0.00 C ATOM 392 CG GLU A 30 -2.023 12.660 2.273 1.00 0.00 C ATOM 393 CD GLU A 30 -2.619 13.565 3.335 1.00 0.00 C ATOM 394 OE1 GLU A 30 -3.425 13.071 4.151 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.278 14.766 3.349 1.00 0.00 O ATOM 0 H GLU A 30 0.395 9.214 3.047 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.929 10.731 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.972 10.795 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.615 11.849 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.352 13.241 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.820 12.285 1.631 1.00 0.00 H new ATOM 402 N LEU A 31 1.021 12.300 0.680 1.00 0.00 N ATOM 403 CA LEU A 31 2.254 13.030 0.409 1.00 0.00 C ATOM 404 C LEU A 31 2.105 14.505 0.769 1.00 0.00 C ATOM 405 O LEU A 31 0.993 14.999 0.956 1.00 0.00 O ATOM 406 CB LEU A 31 2.639 12.890 -1.065 1.00 0.00 C ATOM 407 CG LEU A 31 3.114 11.505 -1.505 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.790 11.271 -2.973 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.607 11.348 -1.255 1.00 0.00 C ATOM 0 H LEU A 31 0.250 12.526 0.051 1.00 0.00 H new ATOM 0 HA LEU A 31 3.043 12.602 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.778 13.167 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.428 13.609 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 31 2.587 10.757 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.135 10.280 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.713 11.339 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.290 12.026 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.927 10.356 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.152 12.104 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.813 11.471 -0.192 1.00 0.00 H new ATOM 421 N SER A 32 3.232 15.203 0.862 1.00 0.00 N ATOM 422 CA SER A 32 3.227 16.621 1.202 1.00 0.00 C ATOM 423 C SER A 32 2.543 17.438 0.110 1.00 0.00 C ATOM 424 O SER A 32 2.190 18.600 0.316 1.00 0.00 O ATOM 425 CB SER A 32 4.658 17.123 1.408 1.00 0.00 C ATOM 426 OG SER A 32 4.673 18.506 1.719 1.00 0.00 O ATOM 0 H SER A 32 4.160 14.810 0.707 1.00 0.00 H new ATOM 0 HA SER A 32 2.669 16.745 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.132 16.561 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.243 16.943 0.506 1.00 0.00 H new ATOM 0 HG SER A 32 3.842 18.921 1.407 1.00 0.00 H new ATOM 432 N LYS A 33 2.357 16.823 -1.053 1.00 0.00 N ATOM 433 CA LYS A 33 1.714 17.490 -2.178 1.00 0.00 C ATOM 434 C LYS A 33 1.507 16.521 -3.339 1.00 0.00 C ATOM 435 O LYS A 33 2.338 15.648 -3.587 1.00 0.00 O ATOM 436 CB LYS A 33 2.555 18.682 -2.639 1.00 0.00 C ATOM 437 CG LYS A 33 3.851 18.284 -3.324 1.00 0.00 C ATOM 438 CD LYS A 33 4.769 19.479 -3.519 1.00 0.00 C ATOM 439 CE LYS A 33 5.496 19.840 -2.232 1.00 0.00 C ATOM 440 NZ LYS A 33 4.681 20.738 -1.368 1.00 0.00 N ATOM 0 H LYS A 33 2.643 15.862 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 33 0.739 17.847 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.964 19.290 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.787 19.307 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.360 17.526 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.629 17.833 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.497 19.256 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.187 20.334 -3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.738 18.929 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.441 20.327 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.282 21.500 -0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.907 21.150 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.284 20.192 -0.577 1.00 0.00 H new ATOM 454 N ALA A 34 0.394 16.683 -4.047 1.00 0.00 N ATOM 455 CA ALA A 34 0.080 15.826 -5.183 1.00 0.00 C ATOM 456 C ALA A 34 1.335 15.492 -5.982 1.00 0.00 C ATOM 457 O ALA A 34 2.044 16.386 -6.444 1.00 0.00 O ATOM 458 CB ALA A 34 -0.956 16.492 -6.076 1.00 0.00 C ATOM 0 H ALA A 34 -0.305 17.400 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.333 14.893 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.181 15.841 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.866 16.673 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.564 17.440 -6.444 1.00 0.00 H new ATOM 464 N ALA A 35 1.604 14.201 -6.142 1.00 0.00 N ATOM 465 CA ALA A 35 2.773 13.750 -6.887 1.00 0.00 C ATOM 466 C ALA A 35 2.711 12.249 -7.148 1.00 0.00 C ATOM 467 O ALA A 35 2.138 11.482 -6.374 1.00 0.00 O ATOM 468 CB ALA A 35 4.047 14.105 -6.135 1.00 0.00 C ATOM 0 H ALA A 35 1.028 13.448 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 35 2.779 14.260 -7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.912 13.762 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.103 15.186 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.040 13.622 -5.158 1.00 0.00 H new ATOM 474 N PRO A 36 3.316 11.817 -8.265 1.00 0.00 N ATOM 475 CA PRO A 36 3.343 10.404 -8.654 1.00 0.00 C ATOM 476 C PRO A 36 4.227 9.567 -7.735 1.00 0.00 C ATOM 477 O PRO A 36 5.134 10.087 -7.086 1.00 0.00 O ATOM 478 CB PRO A 36 3.925 10.437 -10.070 1.00 0.00 C ATOM 479 CG PRO A 36 4.730 11.689 -10.119 1.00 0.00 C ATOM 480 CD PRO A 36 4.019 12.675 -9.234 1.00 0.00 C ATOM 0 HA PRO A 36 2.356 9.946 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.543 9.561 -10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.136 10.444 -10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.747 11.513 -9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.805 12.065 -11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.719 13.349 -8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.324 13.295 -9.800 1.00 0.00 H new ATOM 488 N VAL A 37 3.956 8.266 -7.685 1.00 0.00 N ATOM 489 CA VAL A 37 4.727 7.356 -6.847 1.00 0.00 C ATOM 490 C VAL A 37 4.826 5.974 -7.482 1.00 0.00 C ATOM 491 O VAL A 37 3.930 5.551 -8.212 1.00 0.00 O ATOM 492 CB VAL A 37 4.105 7.222 -5.444 1.00 0.00 C ATOM 493 CG1 VAL A 37 3.920 8.591 -4.809 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.781 6.476 -5.519 1.00 0.00 C ATOM 0 H VAL A 37 3.208 7.819 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 37 5.726 7.781 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 37 4.786 6.647 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.480 8.476 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.888 9.085 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.260 9.195 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.355 6.390 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.091 7.023 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.947 5.480 -5.930 1.00 0.00 H new ATOM 504 N GLU A 38 5.921 5.275 -7.199 1.00 0.00 N ATOM 505 CA GLU A 38 6.136 3.940 -7.743 1.00 0.00 C ATOM 506 C GLU A 38 6.080 2.887 -6.640 1.00 0.00 C ATOM 507 O GLU A 38 6.719 3.031 -5.598 1.00 0.00 O ATOM 508 CB GLU A 38 7.485 3.870 -8.463 1.00 0.00 C ATOM 509 CG GLU A 38 7.727 2.548 -9.173 1.00 0.00 C ATOM 510 CD GLU A 38 6.868 2.386 -10.412 1.00 0.00 C ATOM 511 OE1 GLU A 38 5.627 2.423 -10.281 1.00 0.00 O ATOM 512 OE2 GLU A 38 7.436 2.220 -11.511 1.00 0.00 O ATOM 0 H GLU A 38 6.672 5.611 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 38 5.339 3.734 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.542 4.680 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.283 4.036 -7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.778 2.477 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.524 1.728 -8.485 1.00 0.00 H new ATOM 519 N TRP A 39 5.312 1.830 -6.878 1.00 0.00 N ATOM 520 CA TRP A 39 5.172 0.753 -5.904 1.00 0.00 C ATOM 521 C TRP A 39 6.022 -0.450 -6.298 1.00 0.00 C ATOM 522 O TRP A 39 6.023 -0.869 -7.456 1.00 0.00 O ATOM 523 CB TRP A 39 3.705 0.338 -5.780 1.00 0.00 C ATOM 524 CG TRP A 39 2.800 1.465 -5.386 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.395 2.505 -6.174 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.190 1.668 -4.106 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.569 3.341 -5.461 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.427 2.849 -4.191 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.212 0.965 -2.899 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.696 3.341 -3.113 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.486 1.455 -1.830 1.00 0.00 C ATOM 532 CH2 TRP A 39 0.736 2.633 -1.942 1.00 0.00 C ATOM 0 H TRP A 39 4.777 1.695 -7.736 1.00 0.00 H new ATOM 0 HA TRP A 39 5.521 1.121 -4.939 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.369 -0.072 -6.732 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.622 -0.460 -5.042 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.682 2.649 -7.205 1.00 0.00 H new ATOM 0 HE1 TRP A 39 1.133 4.190 -5.820 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.786 0.055 -2.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.118 4.249 -3.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.497 0.920 -0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.179 2.989 -1.088 1.00 0.00 H new ATOM 543 N ARG A 40 6.744 -1.002 -5.328 1.00 0.00 N ATOM 544 CA ARG A 40 7.599 -2.157 -5.574 1.00 0.00 C ATOM 545 C ARG A 40 7.473 -3.177 -4.446 1.00 0.00 C ATOM 546 O ARG A 40 6.994 -2.859 -3.357 1.00 0.00 O ATOM 547 CB ARG A 40 9.057 -1.717 -5.718 1.00 0.00 C ATOM 548 CG ARG A 40 9.282 -0.709 -6.833 1.00 0.00 C ATOM 549 CD ARG A 40 10.672 -0.096 -6.758 1.00 0.00 C ATOM 550 NE ARG A 40 10.846 0.721 -5.561 1.00 0.00 N ATOM 551 CZ ARG A 40 11.907 1.490 -5.344 1.00 0.00 C ATOM 552 NH1 ARG A 40 12.883 1.547 -6.240 1.00 0.00 N ATOM 553 NH2 ARG A 40 11.994 2.205 -4.229 1.00 0.00 N ATOM 0 H ARG A 40 6.754 -0.668 -4.364 1.00 0.00 H new ATOM 0 HA ARG A 40 7.275 -2.627 -6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.392 -1.284 -4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.676 -2.595 -5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.150 -1.197 -7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.532 0.079 -6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.419 -0.890 -6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.847 0.516 -7.643 1.00 0.00 H new ATOM 0 HE ARG A 40 10.113 0.700 -4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.820 0.999 -7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.697 2.138 -6.071 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.245 2.164 -3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.809 2.795 -4.064 1.00 0.00 H new ATOM 567 N LYS A 41 7.906 -4.404 -4.715 1.00 0.00 N ATOM 568 CA LYS A 41 7.843 -5.472 -3.724 1.00 0.00 C ATOM 569 C LYS A 41 9.193 -6.170 -3.590 1.00 0.00 C ATOM 570 O LYS A 41 9.675 -6.796 -4.532 1.00 0.00 O ATOM 571 CB LYS A 41 6.767 -6.490 -4.108 1.00 0.00 C ATOM 572 CG LYS A 41 6.335 -7.382 -2.957 1.00 0.00 C ATOM 573 CD LYS A 41 5.604 -8.618 -3.454 1.00 0.00 C ATOM 574 CE LYS A 41 6.564 -9.624 -4.071 1.00 0.00 C ATOM 575 NZ LYS A 41 5.843 -10.767 -4.696 1.00 0.00 N ATOM 0 H LYS A 41 8.305 -4.684 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 41 7.586 -5.027 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.896 -5.958 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.142 -7.114 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.210 -7.683 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.687 -6.821 -2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.070 -9.084 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.856 -8.327 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.177 -9.127 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.241 -9.998 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.532 -11.430 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.277 -11.257 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.216 -10.413 -5.446 1.00 0.00 H new ATOM 589 N GLY A 42 9.797 -6.058 -2.410 1.00 0.00 N ATOM 590 CA GLY A 42 11.085 -6.685 -2.175 1.00 0.00 C ATOM 591 C GLY A 42 12.059 -6.452 -3.312 1.00 0.00 C ATOM 592 O GLY A 42 12.584 -5.350 -3.475 1.00 0.00 O ATOM 0 H GLY A 42 9.418 -5.545 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.511 -6.297 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.944 -7.757 -2.035 1.00 0.00 H new ATOM 596 N LEU A 43 12.305 -7.493 -4.100 1.00 0.00 N ATOM 597 CA LEU A 43 13.225 -7.398 -5.228 1.00 0.00 C ATOM 598 C LEU A 43 12.472 -7.462 -6.553 1.00 0.00 C ATOM 599 O LEU A 43 12.932 -8.083 -7.510 1.00 0.00 O ATOM 600 CB LEU A 43 14.261 -8.522 -5.163 1.00 0.00 C ATOM 601 CG LEU A 43 15.418 -8.312 -4.186 1.00 0.00 C ATOM 602 CD1 LEU A 43 15.038 -8.797 -2.795 1.00 0.00 C ATOM 603 CD2 LEU A 43 16.669 -9.026 -4.679 1.00 0.00 C ATOM 0 H LEU A 43 11.880 -8.412 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 43 13.736 -6.437 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.749 -9.446 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.676 -8.665 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 43 15.631 -7.245 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.874 -8.639 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.171 -8.240 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.797 -9.859 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.482 -8.866 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.468 -10.094 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.953 -8.630 -5.654 1.00 0.00 H new ATOM 615 N GLU A 44 11.312 -6.814 -6.600 1.00 0.00 N ATOM 616 CA GLU A 44 10.496 -6.797 -7.808 1.00 0.00 C ATOM 617 C GLU A 44 9.847 -5.430 -8.007 1.00 0.00 C ATOM 618 O GLU A 44 9.860 -4.589 -7.109 1.00 0.00 O ATOM 619 CB GLU A 44 9.417 -7.880 -7.737 1.00 0.00 C ATOM 620 CG GLU A 44 8.937 -8.351 -9.099 1.00 0.00 C ATOM 621 CD GLU A 44 8.063 -9.587 -9.015 1.00 0.00 C ATOM 622 OE1 GLU A 44 6.832 -9.435 -8.871 1.00 0.00 O ATOM 623 OE2 GLU A 44 8.610 -10.707 -9.092 1.00 0.00 O ATOM 0 H GLU A 44 10.917 -6.295 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 44 11.148 -6.998 -8.658 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.807 -8.734 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.566 -7.497 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.379 -7.548 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.800 -8.563 -9.731 1.00 0.00 H new ATOM 630 N ALA A 45 9.282 -5.217 -9.191 1.00 0.00 N ATOM 631 CA ALA A 45 8.627 -3.954 -9.509 1.00 0.00 C ATOM 632 C ALA A 45 7.148 -4.163 -9.811 1.00 0.00 C ATOM 633 O ALA A 45 6.761 -5.174 -10.399 1.00 0.00 O ATOM 634 CB ALA A 45 9.319 -3.282 -10.686 1.00 0.00 C ATOM 0 H ALA A 45 9.265 -5.903 -9.946 1.00 0.00 H new ATOM 0 HA ALA A 45 8.704 -3.304 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.819 -2.340 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.361 -3.088 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.273 -3.936 -11.557 1.00 0.00 H new ATOM 640 N LEU A 46 6.324 -3.203 -9.405 1.00 0.00 N ATOM 641 CA LEU A 46 4.885 -3.283 -9.633 1.00 0.00 C ATOM 642 C LEU A 46 4.428 -2.205 -10.610 1.00 0.00 C ATOM 643 O LEU A 46 5.021 -1.128 -10.684 1.00 0.00 O ATOM 644 CB LEU A 46 4.131 -3.141 -8.309 1.00 0.00 C ATOM 645 CG LEU A 46 4.623 -4.019 -7.159 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.042 -3.543 -5.837 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.262 -5.476 -7.408 1.00 0.00 C ATOM 0 H LEU A 46 6.627 -2.361 -8.917 1.00 0.00 H new ATOM 0 HA LEU A 46 4.664 -4.258 -10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.185 -2.099 -7.993 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.079 -3.366 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 46 5.709 -3.938 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.404 -4.180 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.351 -2.514 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.954 -3.593 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.620 -6.086 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.179 -5.574 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.727 -5.813 -8.334 1.00 0.00 H new ATOM 659 N ARG A 47 3.369 -2.500 -11.356 1.00 0.00 N ATOM 660 CA ARG A 47 2.831 -1.556 -12.328 1.00 0.00 C ATOM 661 C ARG A 47 1.305 -1.586 -12.328 1.00 0.00 C ATOM 662 O ARG A 47 0.691 -2.449 -11.701 1.00 0.00 O ATOM 663 CB ARG A 47 3.358 -1.876 -13.728 1.00 0.00 C ATOM 664 CG ARG A 47 4.825 -1.527 -13.921 1.00 0.00 C ATOM 665 CD ARG A 47 5.273 -1.777 -15.353 1.00 0.00 C ATOM 666 NE ARG A 47 4.535 -0.955 -16.309 1.00 0.00 N ATOM 667 CZ ARG A 47 3.357 -1.299 -16.817 1.00 0.00 C ATOM 668 NH1 ARG A 47 2.785 -2.441 -16.462 1.00 0.00 N ATOM 669 NH2 ARG A 47 2.748 -0.498 -17.682 1.00 0.00 N ATOM 0 H ARG A 47 2.866 -3.386 -11.306 1.00 0.00 H new ATOM 0 HA ARG A 47 3.158 -0.556 -12.044 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.217 -2.939 -13.926 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.764 -1.333 -14.463 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.988 -0.480 -13.665 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.434 -2.120 -13.239 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.339 -1.567 -15.441 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.134 -2.830 -15.598 1.00 0.00 H new ATOM 0 HE ARG A 47 4.947 -0.069 -16.602 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.250 -3.059 -15.797 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.880 -2.702 -16.854 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.185 0.382 -17.957 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.843 -0.762 -18.072 1.00 0.00 H new ATOM 683 N ASP A 48 0.701 -0.637 -13.035 1.00 0.00 N ATOM 684 CA ASP A 48 -0.753 -0.554 -13.117 1.00 0.00 C ATOM 685 C ASP A 48 -1.304 -1.607 -14.075 1.00 0.00 C ATOM 686 O ASP A 48 -0.942 -1.641 -15.250 1.00 0.00 O ATOM 687 CB ASP A 48 -1.181 0.842 -13.573 1.00 0.00 C ATOM 688 CG ASP A 48 -0.831 1.109 -15.024 1.00 0.00 C ATOM 689 OD1 ASP A 48 -1.625 0.724 -15.906 1.00 0.00 O ATOM 690 OD2 ASP A 48 0.238 1.704 -15.277 1.00 0.00 O ATOM 0 H ASP A 48 1.195 0.085 -13.559 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.160 -0.744 -12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.257 0.952 -13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.701 1.590 -12.943 1.00 0.00 H new ATOM 695 N GLY A 49 -2.180 -2.465 -13.562 1.00 0.00 N ATOM 696 CA GLY A 49 -2.766 -3.507 -14.385 1.00 0.00 C ATOM 697 C GLY A 49 -4.026 -4.088 -13.775 1.00 0.00 C ATOM 698 O GLY A 49 -4.784 -3.382 -13.109 1.00 0.00 O ATOM 0 H GLY A 49 -2.494 -2.457 -12.592 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.997 -3.101 -15.370 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.036 -4.303 -14.531 1.00 0.00 H new ATOM 702 N ASP A 50 -4.252 -5.377 -14.004 1.00 0.00 N ATOM 703 CA ASP A 50 -5.431 -6.052 -13.472 1.00 0.00 C ATOM 704 C ASP A 50 -5.148 -6.631 -12.089 1.00 0.00 C ATOM 705 O ASP A 50 -5.973 -6.530 -11.181 1.00 0.00 O ATOM 706 CB ASP A 50 -5.879 -7.164 -14.422 1.00 0.00 C ATOM 707 CG ASP A 50 -7.132 -7.868 -13.939 1.00 0.00 C ATOM 708 OD1 ASP A 50 -8.240 -7.376 -14.236 1.00 0.00 O ATOM 709 OD2 ASP A 50 -7.004 -8.910 -13.263 1.00 0.00 O ATOM 0 H ASP A 50 -3.635 -5.975 -14.554 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.231 -5.317 -13.381 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.061 -6.742 -15.410 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.075 -7.892 -14.529 1.00 0.00 H new ATOM 714 N LYS A 51 -3.976 -7.238 -11.936 1.00 0.00 N ATOM 715 CA LYS A 51 -3.582 -7.833 -10.664 1.00 0.00 C ATOM 716 C LYS A 51 -3.588 -6.790 -9.551 1.00 0.00 C ATOM 717 O LYS A 51 -4.153 -7.014 -8.480 1.00 0.00 O ATOM 718 CB LYS A 51 -2.193 -8.463 -10.780 1.00 0.00 C ATOM 719 CG LYS A 51 -1.640 -8.965 -9.458 1.00 0.00 C ATOM 720 CD LYS A 51 -2.421 -10.165 -8.947 1.00 0.00 C ATOM 721 CE LYS A 51 -1.650 -10.915 -7.872 1.00 0.00 C ATOM 722 NZ LYS A 51 -0.699 -11.901 -8.456 1.00 0.00 N ATOM 0 H LYS A 51 -3.282 -7.331 -12.678 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.306 -8.609 -10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.238 -9.294 -11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.504 -7.729 -11.197 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.592 -9.237 -9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.677 -8.164 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.378 -9.833 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.640 -10.838 -9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.101 -10.203 -7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.351 -11.431 -7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.193 -12.391 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.225 -12.596 -9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.014 -11.406 -9.062 1.00 0.00 H new ATOM 736 N TYR A 52 -2.957 -5.650 -9.811 1.00 0.00 N ATOM 737 CA TYR A 52 -2.889 -4.573 -8.830 1.00 0.00 C ATOM 738 C TYR A 52 -3.799 -3.415 -9.228 1.00 0.00 C ATOM 739 O TYR A 52 -4.102 -3.226 -10.406 1.00 0.00 O ATOM 740 CB TYR A 52 -1.449 -4.079 -8.685 1.00 0.00 C ATOM 741 CG TYR A 52 -0.512 -5.106 -8.090 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.320 -5.187 -6.716 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.181 -5.996 -8.902 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.535 -6.124 -6.169 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.036 -6.937 -8.363 1.00 0.00 C ATOM 746 CZ TYR A 52 1.210 -6.997 -6.996 1.00 0.00 C ATOM 747 OH TYR A 52 2.063 -7.931 -6.455 1.00 0.00 O ATOM 0 H TYR A 52 -2.485 -5.448 -10.693 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.230 -4.965 -7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.075 -3.783 -9.665 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.441 -3.187 -8.059 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.848 -4.506 -6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.049 -5.951 -9.973 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.674 -6.173 -5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.566 -7.622 -9.008 1.00 0.00 H new ATOM 0 HH TYR A 52 2.458 -8.468 -7.173 1.00 0.00 H new ATOM 757 N SER A 53 -4.230 -2.642 -8.237 1.00 0.00 N ATOM 758 CA SER A 53 -5.107 -1.504 -8.482 1.00 0.00 C ATOM 759 C SER A 53 -4.513 -0.225 -7.899 1.00 0.00 C ATOM 760 O SER A 53 -4.570 0.006 -6.690 1.00 0.00 O ATOM 761 CB SER A 53 -6.489 -1.759 -7.877 1.00 0.00 C ATOM 762 OG SER A 53 -7.496 -1.069 -8.597 1.00 0.00 O ATOM 0 H SER A 53 -3.986 -2.783 -7.257 1.00 0.00 H new ATOM 0 HA SER A 53 -5.207 -1.379 -9.560 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.701 -2.828 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.498 -1.439 -6.835 1.00 0.00 H new ATOM 0 HG SER A 53 -7.158 -0.191 -8.873 1.00 0.00 H new ATOM 768 N LEU A 54 -3.944 0.604 -8.767 1.00 0.00 N ATOM 769 CA LEU A 54 -3.339 1.861 -8.340 1.00 0.00 C ATOM 770 C LEU A 54 -4.355 2.998 -8.385 1.00 0.00 C ATOM 771 O LEU A 54 -4.953 3.269 -9.427 1.00 0.00 O ATOM 772 CB LEU A 54 -2.139 2.199 -9.227 1.00 0.00 C ATOM 773 CG LEU A 54 -0.826 1.500 -8.875 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.440 1.784 -7.432 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.940 0.001 -9.113 1.00 0.00 C ATOM 0 H LEU A 54 -3.889 0.429 -9.770 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.001 1.742 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.394 1.952 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.976 3.276 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.042 1.893 -9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.497 1.278 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.317 2.858 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.223 1.420 -6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.004 -0.481 -8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.736 -0.407 -8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.169 -0.184 -10.162 1.00 0.00 H new ATOM 787 N ARG A 55 -4.544 3.661 -7.249 1.00 0.00 N ATOM 788 CA ARG A 55 -5.487 4.769 -7.159 1.00 0.00 C ATOM 789 C ARG A 55 -4.787 6.043 -6.695 1.00 0.00 C ATOM 790 O ARG A 55 -3.816 5.989 -5.941 1.00 0.00 O ATOM 791 CB ARG A 55 -6.625 4.422 -6.198 1.00 0.00 C ATOM 792 CG ARG A 55 -7.475 3.249 -6.659 1.00 0.00 C ATOM 793 CD ARG A 55 -6.931 1.928 -6.138 1.00 0.00 C ATOM 794 NE ARG A 55 -7.874 0.830 -6.338 1.00 0.00 N ATOM 795 CZ ARG A 55 -9.034 0.732 -5.699 1.00 0.00 C ATOM 796 NH1 ARG A 55 -9.393 1.661 -4.824 1.00 0.00 N ATOM 797 NH2 ARG A 55 -9.838 -0.296 -5.935 1.00 0.00 N ATOM 0 H ARG A 55 -4.057 3.450 -6.378 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.900 4.943 -8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.205 4.193 -5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.264 5.296 -6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.500 3.383 -6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.506 3.227 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.994 1.697 -6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.705 2.023 -5.076 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.628 0.099 -7.005 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.778 2.453 -4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.285 1.583 -4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.566 -1.012 -6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.729 -0.370 -5.444 1.00 0.00 H new ATOM 811 N GLN A 56 -5.285 7.187 -7.153 1.00 0.00 N ATOM 812 CA GLN A 56 -4.706 8.473 -6.786 1.00 0.00 C ATOM 813 C GLN A 56 -5.691 9.608 -7.048 1.00 0.00 C ATOM 814 O GLN A 56 -6.093 9.844 -8.188 1.00 0.00 O ATOM 815 CB GLN A 56 -3.412 8.715 -7.565 1.00 0.00 C ATOM 816 CG GLN A 56 -2.204 8.008 -6.972 1.00 0.00 C ATOM 817 CD GLN A 56 -0.902 8.721 -7.279 1.00 0.00 C ATOM 818 OE1 GLN A 56 -0.688 9.864 -6.638 1.00 0.00 O flip ATOM 819 NE2 GLN A 56 -0.097 8.250 -8.083 1.00 0.00 N flip ATOM 0 H GLN A 56 -6.088 7.249 -7.779 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.481 8.450 -5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.549 8.381 -8.594 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.214 9.786 -7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.326 7.932 -5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.157 6.990 -7.360 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.302 7.368 -8.553 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.775 8.741 -8.279 1.00 0.00 H new ATOM 828 N ASP A 57 -6.075 10.308 -5.986 1.00 0.00 N ATOM 829 CA ASP A 57 -7.013 11.419 -6.101 1.00 0.00 C ATOM 830 C ASP A 57 -6.343 12.736 -5.722 1.00 0.00 C ATOM 831 O ASP A 57 -6.939 13.575 -5.047 1.00 0.00 O ATOM 832 CB ASP A 57 -8.234 11.178 -5.212 1.00 0.00 C ATOM 833 CG ASP A 57 -9.428 12.013 -5.631 1.00 0.00 C ATOM 834 OD1 ASP A 57 -9.982 11.754 -6.720 1.00 0.00 O ATOM 835 OD2 ASP A 57 -9.810 12.926 -4.869 1.00 0.00 O ATOM 0 H ASP A 57 -5.751 10.126 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.338 11.483 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.502 10.122 -5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.978 11.408 -4.178 1.00 0.00 H new ATOM 840 N GLY A 58 -5.100 12.910 -6.159 1.00 0.00 N ATOM 841 CA GLY A 58 -4.369 14.127 -5.853 1.00 0.00 C ATOM 842 C GLY A 58 -3.089 13.858 -5.088 1.00 0.00 C ATOM 843 O GLY A 58 -2.030 13.668 -5.685 1.00 0.00 O ATOM 0 H GLY A 58 -4.586 12.231 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.131 14.647 -6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.005 14.792 -5.268 1.00 0.00 H new ATOM 847 N ALA A 59 -3.186 13.843 -3.763 1.00 0.00 N ATOM 848 CA ALA A 59 -2.026 13.595 -2.915 1.00 0.00 C ATOM 849 C ALA A 59 -2.164 12.272 -2.169 1.00 0.00 C ATOM 850 O ALA A 59 -1.215 11.797 -1.546 1.00 0.00 O ATOM 851 CB ALA A 59 -1.837 14.740 -1.931 1.00 0.00 C ATOM 0 H ALA A 59 -4.056 14.000 -3.253 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.146 13.531 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.968 14.541 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.684 15.670 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.724 14.830 -1.303 1.00 0.00 H new ATOM 857 N VAL A 60 -3.353 11.681 -2.237 1.00 0.00 N ATOM 858 CA VAL A 60 -3.615 10.412 -1.568 1.00 0.00 C ATOM 859 C VAL A 60 -3.480 9.242 -2.537 1.00 0.00 C ATOM 860 O VAL A 60 -4.135 9.208 -3.579 1.00 0.00 O ATOM 861 CB VAL A 60 -5.023 10.387 -0.943 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.218 9.124 -0.118 1.00 0.00 C ATOM 863 CG2 VAL A 60 -5.250 11.629 -0.094 1.00 0.00 C ATOM 0 H VAL A 60 -4.150 12.061 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.872 10.312 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.759 10.384 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.218 9.124 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.100 8.250 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.476 9.093 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.249 11.595 0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.509 11.665 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.155 12.518 -0.717 1.00 0.00 H new ATOM 873 N CYS A 61 -2.628 8.286 -2.186 1.00 0.00 N ATOM 874 CA CYS A 61 -2.406 7.114 -3.024 1.00 0.00 C ATOM 875 C CYS A 61 -2.909 5.849 -2.335 1.00 0.00 C ATOM 876 O CYS A 61 -2.866 5.740 -1.110 1.00 0.00 O ATOM 877 CB CYS A 61 -0.920 6.971 -3.356 1.00 0.00 C ATOM 878 SG CYS A 61 -0.218 8.394 -4.224 1.00 0.00 S ATOM 0 H CYS A 61 -2.079 8.300 -1.326 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.966 7.250 -3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.365 6.813 -2.431 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.779 6.080 -3.968 1.00 0.00 H new ATOM 0 HG CYS A 61 -1.163 9.029 -4.852 1.00 0.00 H new ATOM 884 N GLU A 62 -3.388 4.898 -3.131 1.00 0.00 N ATOM 885 CA GLU A 62 -3.901 3.642 -2.596 1.00 0.00 C ATOM 886 C GLU A 62 -3.569 2.479 -3.526 1.00 0.00 C ATOM 887 O GLU A 62 -3.788 2.554 -4.736 1.00 0.00 O ATOM 888 CB GLU A 62 -5.415 3.731 -2.392 1.00 0.00 C ATOM 889 CG GLU A 62 -5.959 2.702 -1.415 1.00 0.00 C ATOM 890 CD GLU A 62 -7.415 2.942 -1.066 1.00 0.00 C ATOM 891 OE1 GLU A 62 -8.291 2.518 -1.848 1.00 0.00 O ATOM 892 OE2 GLU A 62 -7.678 3.553 -0.009 1.00 0.00 O ATOM 0 H GLU A 62 -3.432 4.973 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.422 3.463 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.667 4.729 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.911 3.604 -3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.852 1.706 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.363 2.722 -0.503 1.00 0.00 H new ATOM 899 N LEU A 63 -3.040 1.404 -2.952 1.00 0.00 N ATOM 900 CA LEU A 63 -2.677 0.223 -3.729 1.00 0.00 C ATOM 901 C LEU A 63 -3.430 -1.007 -3.233 1.00 0.00 C ATOM 902 O LEU A 63 -3.345 -1.368 -2.060 1.00 0.00 O ATOM 903 CB LEU A 63 -1.169 -0.021 -3.647 1.00 0.00 C ATOM 904 CG LEU A 63 -0.686 -1.397 -4.107 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.483 -1.415 -5.614 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.600 -1.778 -3.389 1.00 0.00 C ATOM 0 H LEU A 63 -2.853 1.325 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.954 0.402 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.665 0.738 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.853 0.126 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.450 -2.132 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.139 -2.402 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.426 -1.187 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.262 -0.669 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.929 -2.760 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.372 -1.040 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.422 -1.807 -2.314 1.00 0.00 H new ATOM 918 N GLN A 64 -4.166 -1.648 -4.136 1.00 0.00 N ATOM 919 CA GLN A 64 -4.933 -2.839 -3.791 1.00 0.00 C ATOM 920 C GLN A 64 -4.336 -4.080 -4.447 1.00 0.00 C ATOM 921 O GLN A 64 -4.100 -4.102 -5.655 1.00 0.00 O ATOM 922 CB GLN A 64 -6.392 -2.673 -4.218 1.00 0.00 C ATOM 923 CG GLN A 64 -7.374 -3.430 -3.338 1.00 0.00 C ATOM 924 CD GLN A 64 -8.647 -3.803 -4.071 1.00 0.00 C ATOM 925 OE1 GLN A 64 -8.605 -4.318 -5.189 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.789 -3.545 -3.444 1.00 0.00 N ATOM 0 H GLN A 64 -4.247 -1.362 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.891 -2.967 -2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.647 -1.613 -4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.502 -3.014 -5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.897 -4.335 -2.963 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.624 -2.819 -2.471 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.777 -3.117 -2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.678 -3.775 -3.888 1.00 0.00 H new ATOM 935 N ILE A 65 -4.095 -5.109 -3.642 1.00 0.00 N ATOM 936 CA ILE A 65 -3.526 -6.354 -4.145 1.00 0.00 C ATOM 937 C ILE A 65 -4.592 -7.438 -4.261 1.00 0.00 C ATOM 938 O ILE A 65 -4.880 -8.147 -3.295 1.00 0.00 O ATOM 939 CB ILE A 65 -2.390 -6.861 -3.237 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.342 -5.765 -3.035 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.753 -8.108 -3.833 1.00 0.00 C ATOM 942 CD1 ILE A 65 -1.626 -4.869 -1.850 1.00 0.00 C ATOM 0 H ILE A 65 -4.284 -5.106 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.121 -6.139 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.809 -7.120 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.364 -6.228 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.287 -5.155 -3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.952 -8.455 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.506 -8.890 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.344 -7.873 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.843 -4.116 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.589 -4.377 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.651 -5.467 -0.939 1.00 0.00 H new ATOM 954 N HIS A 66 -5.175 -7.564 -5.449 1.00 0.00 N ATOM 955 CA HIS A 66 -6.208 -8.564 -5.692 1.00 0.00 C ATOM 956 C HIS A 66 -5.653 -9.974 -5.510 1.00 0.00 C ATOM 957 O HIS A 66 -4.852 -10.444 -6.316 1.00 0.00 O ATOM 958 CB HIS A 66 -6.779 -8.406 -7.101 1.00 0.00 C ATOM 959 CG HIS A 66 -7.572 -7.149 -7.288 1.00 0.00 C ATOM 960 ND1 HIS A 66 -7.232 -5.961 -7.840 1.00 0.00 N flip ATOM 961 CD2 HIS A 66 -8.884 -7.020 -6.883 1.00 0.00 C flip ATOM 962 CE1 HIS A 66 -8.333 -5.144 -7.760 1.00 0.00 C flip ATOM 963 NE2 HIS A 66 -9.316 -5.807 -7.179 1.00 0.00 N flip ATOM 0 H HIS A 66 -4.949 -6.986 -6.258 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.006 -8.410 -4.966 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -5.960 -8.419 -7.820 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.414 -9.263 -7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.467 -7.790 -6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.386 -4.125 -8.115 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.250 -5.444 -6.991 1.00 0.00 H new ATOM 971 N GLY A 67 -6.085 -10.642 -4.445 1.00 0.00 N ATOM 972 CA GLY A 67 -5.620 -11.991 -4.177 1.00 0.00 C ATOM 973 C GLY A 67 -4.380 -12.014 -3.306 1.00 0.00 C ATOM 974 O GLY A 67 -3.308 -11.577 -3.727 1.00 0.00 O ATOM 0 H GLY A 67 -6.748 -10.274 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.414 -12.555 -3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.407 -12.493 -5.121 1.00 0.00 H new ATOM 978 N LEU A 68 -4.524 -12.523 -2.088 1.00 0.00 N ATOM 979 CA LEU A 68 -3.407 -12.599 -1.153 1.00 0.00 C ATOM 980 C LEU A 68 -3.006 -14.050 -0.902 1.00 0.00 C ATOM 981 O LEU A 68 -3.823 -14.961 -1.027 1.00 0.00 O ATOM 982 CB LEU A 68 -3.774 -11.923 0.169 1.00 0.00 C ATOM 983 CG LEU A 68 -3.930 -10.403 0.125 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.788 -9.920 1.284 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.567 -9.726 0.151 1.00 0.00 C ATOM 0 H LEU A 68 -5.404 -12.890 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.558 -12.077 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.709 -12.354 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.008 -12.168 0.904 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.429 -10.136 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.888 -8.836 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.775 -10.378 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.317 -10.199 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.697 -8.644 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.041 -10.001 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.985 -10.047 -0.713 1.00 0.00 H new ATOM 997 N ALA A 69 -1.742 -14.255 -0.544 1.00 0.00 N ATOM 998 CA ALA A 69 -1.234 -15.594 -0.271 1.00 0.00 C ATOM 999 C ALA A 69 0.041 -15.537 0.563 1.00 0.00 C ATOM 1000 O ALA A 69 0.495 -14.460 0.947 1.00 0.00 O ATOM 1001 CB ALA A 69 -0.983 -16.339 -1.573 1.00 0.00 C ATOM 0 H ALA A 69 -1.052 -13.512 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.988 -16.133 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.604 -17.337 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.915 -16.420 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.249 -15.795 -2.168 1.00 0.00 H new ATOM 1007 N MET A 70 0.614 -16.704 0.840 1.00 0.00 N ATOM 1008 CA MET A 70 1.838 -16.786 1.628 1.00 0.00 C ATOM 1009 C MET A 70 3.040 -16.315 0.816 1.00 0.00 C ATOM 1010 O MET A 70 4.139 -16.160 1.349 1.00 0.00 O ATOM 1011 CB MET A 70 2.064 -18.220 2.111 1.00 0.00 C ATOM 1012 CG MET A 70 1.246 -18.584 3.339 1.00 0.00 C ATOM 1013 SD MET A 70 1.689 -17.601 4.785 1.00 0.00 S ATOM 1014 CE MET A 70 0.089 -16.945 5.251 1.00 0.00 C ATOM 0 H MET A 70 0.250 -17.605 0.530 1.00 0.00 H new ATOM 0 HA MET A 70 1.728 -16.132 2.493 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.818 -18.910 1.303 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.122 -18.356 2.336 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.187 -18.444 3.120 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.388 -19.641 3.565 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.027 -17.004 6.333 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.016 -15.904 4.935 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.697 -17.527 4.769 1.00 0.00 H new ATOM 1024 N ALA A 71 2.824 -16.088 -0.475 1.00 0.00 N ATOM 1025 CA ALA A 71 3.890 -15.633 -1.360 1.00 0.00 C ATOM 1026 C ALA A 71 3.904 -14.112 -1.464 1.00 0.00 C ATOM 1027 O ALA A 71 4.899 -13.518 -1.881 1.00 0.00 O ATOM 1028 CB ALA A 71 3.734 -16.257 -2.739 1.00 0.00 C ATOM 0 H ALA A 71 1.920 -16.212 -0.932 1.00 0.00 H new ATOM 0 HA ALA A 71 4.842 -15.951 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.537 -15.908 -3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.781 -17.343 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.772 -15.967 -3.163 1.00 0.00 H new ATOM 1034 N ASP A 72 2.796 -13.487 -1.084 1.00 0.00 N ATOM 1035 CA ASP A 72 2.681 -12.034 -1.135 1.00 0.00 C ATOM 1036 C ASP A 72 3.343 -11.394 0.082 1.00 0.00 C ATOM 1037 O ASP A 72 3.680 -10.211 0.066 1.00 0.00 O ATOM 1038 CB ASP A 72 1.211 -11.619 -1.208 1.00 0.00 C ATOM 1039 CG ASP A 72 0.595 -11.423 0.163 1.00 0.00 C ATOM 1040 OD1 ASP A 72 1.007 -10.478 0.868 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.298 -12.215 0.532 1.00 0.00 O ATOM 0 H ASP A 72 1.964 -13.964 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 72 3.194 -11.685 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.126 -10.693 -1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.649 -12.379 -1.750 1.00 0.00 H new ATOM 1046 N ASN A 73 3.525 -12.185 1.135 1.00 0.00 N ATOM 1047 CA ASN A 73 4.145 -11.695 2.360 1.00 0.00 C ATOM 1048 C ASN A 73 5.512 -11.084 2.072 1.00 0.00 C ATOM 1049 O ASN A 73 6.336 -11.679 1.378 1.00 0.00 O ATOM 1050 CB ASN A 73 4.285 -12.831 3.375 1.00 0.00 C ATOM 1051 CG ASN A 73 3.061 -12.971 4.259 1.00 0.00 C ATOM 1052 OD1 ASN A 73 2.476 -11.978 4.690 1.00 0.00 O ATOM 1053 ND2 ASN A 73 2.669 -14.210 4.535 1.00 0.00 N ATOM 0 H ASN A 73 3.252 -13.167 1.164 1.00 0.00 H new ATOM 0 HA ASN A 73 3.502 -10.920 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.457 -13.768 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.161 -12.652 3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.853 -14.367 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.184 -15.004 4.156 1.00 0.00 H new ATOM 1060 N GLY A 74 5.747 -9.891 2.610 1.00 0.00 N ATOM 1061 CA GLY A 74 7.016 -9.219 2.399 1.00 0.00 C ATOM 1062 C GLY A 74 6.992 -7.775 2.860 1.00 0.00 C ATOM 1063 O GLY A 74 6.486 -7.469 3.940 1.00 0.00 O ATOM 0 H GLY A 74 5.081 -9.378 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.800 -9.755 2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.271 -9.255 1.340 1.00 0.00 H new ATOM 1067 N VAL A 75 7.541 -6.884 2.040 1.00 0.00 N ATOM 1068 CA VAL A 75 7.580 -5.464 2.370 1.00 0.00 C ATOM 1069 C VAL A 75 7.429 -4.606 1.119 1.00 0.00 C ATOM 1070 O VAL A 75 8.311 -4.582 0.259 1.00 0.00 O ATOM 1071 CB VAL A 75 8.894 -5.090 3.081 1.00 0.00 C ATOM 1072 CG1 VAL A 75 10.084 -5.718 2.372 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.046 -3.578 3.157 1.00 0.00 C ATOM 0 H VAL A 75 7.965 -7.120 1.143 1.00 0.00 H new ATOM 0 HA VAL A 75 6.744 -5.271 3.042 1.00 0.00 H new ATOM 0 HB VAL A 75 8.860 -5.481 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.003 -5.442 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.978 -6.803 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.125 -5.360 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.980 -3.331 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.058 -3.162 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.209 -3.156 3.714 1.00 0.00 H new ATOM 1083 N TYR A 76 6.308 -3.901 1.024 1.00 0.00 N ATOM 1084 CA TYR A 76 6.040 -3.041 -0.123 1.00 0.00 C ATOM 1085 C TYR A 76 6.647 -1.657 0.080 1.00 0.00 C ATOM 1086 O TYR A 76 6.620 -1.110 1.183 1.00 0.00 O ATOM 1087 CB TYR A 76 4.533 -2.920 -0.355 1.00 0.00 C ATOM 1088 CG TYR A 76 3.857 -4.240 -0.647 1.00 0.00 C ATOM 1089 CD1 TYR A 76 3.618 -5.160 0.367 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.458 -4.569 -1.937 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.001 -6.368 0.104 1.00 0.00 C ATOM 1092 CE2 TYR A 76 2.839 -5.774 -2.208 1.00 0.00 C ATOM 1093 CZ TYR A 76 2.613 -6.670 -1.185 1.00 0.00 C ATOM 1094 OH TYR A 76 1.999 -7.872 -1.451 1.00 0.00 O ATOM 0 H TYR A 76 5.569 -3.908 1.728 1.00 0.00 H new ATOM 0 HA TYR A 76 6.501 -3.495 -1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.073 -2.473 0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.356 -2.239 -1.187 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.920 -4.927 1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.635 -3.871 -2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.823 -7.072 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.534 -6.013 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 76 2.488 -8.595 -1.005 1.00 0.00 H new ATOM 1104 N SER A 77 7.196 -1.095 -0.992 1.00 0.00 N ATOM 1105 CA SER A 77 7.813 0.225 -0.933 1.00 0.00 C ATOM 1106 C SER A 77 6.978 1.250 -1.693 1.00 0.00 C ATOM 1107 O SER A 77 6.328 0.924 -2.687 1.00 0.00 O ATOM 1108 CB SER A 77 9.229 0.174 -1.510 1.00 0.00 C ATOM 1109 OG SER A 77 9.939 -0.952 -1.023 1.00 0.00 O ATOM 0 H SER A 77 7.226 -1.533 -1.912 1.00 0.00 H new ATOM 0 HA SER A 77 7.864 0.529 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.180 0.134 -2.598 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.765 1.086 -1.248 1.00 0.00 H new ATOM 0 HG SER A 77 10.840 -0.962 -1.408 1.00 0.00 H new ATOM 1115 N CYS A 78 7.001 2.491 -1.219 1.00 0.00 N ATOM 1116 CA CYS A 78 6.245 3.566 -1.853 1.00 0.00 C ATOM 1117 C CYS A 78 7.104 4.817 -2.005 1.00 0.00 C ATOM 1118 O CYS A 78 7.036 5.733 -1.185 1.00 0.00 O ATOM 1119 CB CYS A 78 4.993 3.888 -1.035 1.00 0.00 C ATOM 1120 SG CYS A 78 3.668 4.664 -1.990 1.00 0.00 S ATOM 0 H CYS A 78 7.535 2.778 -0.398 1.00 0.00 H new ATOM 0 HA CYS A 78 5.945 3.230 -2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.615 2.967 -0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.269 4.548 -0.213 1.00 0.00 H new ATOM 0 HG CYS A 78 2.668 3.840 -2.093 1.00 0.00 H new ATOM 1126 N VAL A 79 7.913 4.848 -3.059 1.00 0.00 N ATOM 1127 CA VAL A 79 8.786 5.987 -3.319 1.00 0.00 C ATOM 1128 C VAL A 79 8.155 6.945 -4.323 1.00 0.00 C ATOM 1129 O VAL A 79 7.568 6.519 -5.318 1.00 0.00 O ATOM 1130 CB VAL A 79 10.158 5.532 -3.852 1.00 0.00 C ATOM 1131 CG1 VAL A 79 9.986 4.552 -5.003 1.00 0.00 C ATOM 1132 CG2 VAL A 79 10.986 6.733 -4.283 1.00 0.00 C ATOM 0 H VAL A 79 7.982 4.098 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 79 8.926 6.502 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 79 10.690 5.022 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.966 4.242 -5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.434 3.678 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.435 5.033 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.952 6.394 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.461 7.273 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.139 7.394 -3.430 1.00 0.00 H new ATOM 1142 N CYS A 80 8.281 8.240 -4.056 1.00 0.00 N ATOM 1143 CA CYS A 80 7.722 9.260 -4.936 1.00 0.00 C ATOM 1144 C CYS A 80 8.801 9.846 -5.842 1.00 0.00 C ATOM 1145 O CYS A 80 8.536 10.200 -6.991 1.00 0.00 O ATOM 1146 CB CYS A 80 7.071 10.373 -4.114 1.00 0.00 C ATOM 1147 SG CYS A 80 8.245 11.396 -3.195 1.00 0.00 S ATOM 0 H CYS A 80 8.765 8.609 -3.237 1.00 0.00 H new ATOM 0 HA CYS A 80 6.963 8.789 -5.561 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.493 11.012 -4.781 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.367 9.927 -3.412 1.00 0.00 H new ATOM 0 HG CYS A 80 7.607 12.356 -2.595 1.00 0.00 H new ATOM 1153 N GLY A 81 10.018 9.947 -5.316 1.00 0.00 N ATOM 1154 CA GLY A 81 11.117 10.493 -6.091 1.00 0.00 C ATOM 1155 C GLY A 81 12.443 10.398 -5.361 1.00 0.00 C ATOM 1156 O GLY A 81 13.296 9.585 -5.716 1.00 0.00 O ATOM 0 H GLY A 81 10.262 9.661 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.189 9.961 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.909 11.537 -6.326 1.00 0.00 H new ATOM 1160 N GLN A 82 12.616 11.231 -4.341 1.00 0.00 N ATOM 1161 CA GLN A 82 13.849 11.239 -3.562 1.00 0.00 C ATOM 1162 C GLN A 82 13.735 10.315 -2.354 1.00 0.00 C ATOM 1163 O GLN A 82 14.572 9.436 -2.153 1.00 0.00 O ATOM 1164 CB GLN A 82 14.179 12.660 -3.103 1.00 0.00 C ATOM 1165 CG GLN A 82 15.472 12.759 -2.311 1.00 0.00 C ATOM 1166 CD GLN A 82 16.692 12.409 -3.140 1.00 0.00 C ATOM 1167 OE1 GLN A 82 16.777 12.756 -4.319 1.00 0.00 O ATOM 1168 NE2 GLN A 82 17.647 11.719 -2.527 1.00 0.00 N ATOM 0 H GLN A 82 11.919 11.909 -4.034 1.00 0.00 H new ATOM 0 HA GLN A 82 14.654 10.876 -4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.247 13.308 -3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.358 13.035 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.579 13.772 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.419 12.092 -1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.536 11.452 -1.549 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.492 11.456 -3.034 1.00 0.00 H new ATOM 1177 N GLU A 83 12.694 10.521 -1.553 1.00 0.00 N ATOM 1178 CA GLU A 83 12.473 9.707 -0.364 1.00 0.00 C ATOM 1179 C GLU A 83 11.560 8.524 -0.677 1.00 0.00 C ATOM 1180 O GLU A 83 10.935 8.472 -1.736 1.00 0.00 O ATOM 1181 CB GLU A 83 11.863 10.553 0.755 1.00 0.00 C ATOM 1182 CG GLU A 83 10.615 11.311 0.333 1.00 0.00 C ATOM 1183 CD GLU A 83 10.933 12.638 -0.328 1.00 0.00 C ATOM 1184 OE1 GLU A 83 11.508 13.515 0.350 1.00 0.00 O ATOM 1185 OE2 GLU A 83 10.608 12.799 -1.523 1.00 0.00 O ATOM 0 H GLU A 83 11.991 11.244 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 83 13.438 9.323 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.617 9.905 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.609 11.265 1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.037 10.696 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.988 11.486 1.207 1.00 0.00 H new ATOM 1192 N ARG A 84 11.490 7.576 0.252 1.00 0.00 N ATOM 1193 CA ARG A 84 10.657 6.393 0.076 1.00 0.00 C ATOM 1194 C ARG A 84 10.163 5.870 1.421 1.00 0.00 C ATOM 1195 O ARG A 84 10.797 6.087 2.455 1.00 0.00 O ATOM 1196 CB ARG A 84 11.436 5.298 -0.655 1.00 0.00 C ATOM 1197 CG ARG A 84 12.550 4.685 0.178 1.00 0.00 C ATOM 1198 CD ARG A 84 13.850 5.460 0.027 1.00 0.00 C ATOM 1199 NE ARG A 84 14.665 4.951 -1.073 1.00 0.00 N ATOM 1200 CZ ARG A 84 15.503 3.926 -0.954 1.00 0.00 C ATOM 1201 NH1 ARG A 84 15.634 3.305 0.210 1.00 0.00 N ATOM 1202 NH2 ARG A 84 16.210 3.521 -2.001 1.00 0.00 N ATOM 0 H ARG A 84 12.001 7.605 1.135 1.00 0.00 H new ATOM 0 HA ARG A 84 9.792 6.675 -0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.744 4.511 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.863 5.715 -1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.255 4.669 1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.705 3.650 -0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.627 6.513 -0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.417 5.401 0.956 1.00 0.00 H new ATOM 0 HE ARG A 84 14.587 5.407 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.091 3.613 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.278 2.519 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.111 3.996 -2.898 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.853 2.734 -1.909 1.00 0.00 H new ATOM 1216 N THR A 85 9.027 5.180 1.402 1.00 0.00 N ATOM 1217 CA THR A 85 8.448 4.627 2.620 1.00 0.00 C ATOM 1218 C THR A 85 7.837 3.254 2.364 1.00 0.00 C ATOM 1219 O THR A 85 6.912 3.115 1.564 1.00 0.00 O ATOM 1220 CB THR A 85 7.366 5.558 3.199 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.989 5.116 4.508 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.141 5.591 2.297 1.00 0.00 C ATOM 0 H THR A 85 8.489 4.991 0.556 1.00 0.00 H new ATOM 0 HA THR A 85 9.259 4.531 3.341 1.00 0.00 H new ATOM 0 HB THR A 85 7.779 6.565 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.113 5.490 4.740 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.391 6.255 2.726 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.426 5.955 1.310 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.728 4.586 2.208 1.00 0.00 H new ATOM 1230 N SER A 86 8.360 2.242 3.049 1.00 0.00 N ATOM 1231 CA SER A 86 7.868 0.879 2.893 1.00 0.00 C ATOM 1232 C SER A 86 7.123 0.424 4.145 1.00 0.00 C ATOM 1233 O SER A 86 7.215 1.053 5.198 1.00 0.00 O ATOM 1234 CB SER A 86 9.028 -0.075 2.602 1.00 0.00 C ATOM 1235 OG SER A 86 9.621 -0.539 3.803 1.00 0.00 O ATOM 0 H SER A 86 9.124 2.341 3.717 1.00 0.00 H new ATOM 0 HA SER A 86 7.175 0.864 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.668 -0.923 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.778 0.433 1.995 1.00 0.00 H new ATOM 0 HG SER A 86 10.358 -1.148 3.590 1.00 0.00 H new ATOM 1241 N ALA A 87 6.384 -0.674 4.020 1.00 0.00 N ATOM 1242 CA ALA A 87 5.625 -1.215 5.140 1.00 0.00 C ATOM 1243 C ALA A 87 5.588 -2.739 5.094 1.00 0.00 C ATOM 1244 O ALA A 87 5.941 -3.349 4.083 1.00 0.00 O ATOM 1245 CB ALA A 87 4.211 -0.651 5.140 1.00 0.00 C ATOM 0 H ALA A 87 6.295 -1.206 3.154 1.00 0.00 H new ATOM 0 HA ALA A 87 6.124 -0.918 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.655 -1.063 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.252 0.435 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.712 -0.920 4.209 1.00 0.00 H new ATOM 1251 N THR A 88 5.161 -3.350 6.194 1.00 0.00 N ATOM 1252 CA THR A 88 5.080 -4.803 6.280 1.00 0.00 C ATOM 1253 C THR A 88 3.633 -5.277 6.228 1.00 0.00 C ATOM 1254 O THR A 88 2.775 -4.767 6.950 1.00 0.00 O ATOM 1255 CB THR A 88 5.735 -5.326 7.572 1.00 0.00 C ATOM 1256 OG1 THR A 88 7.072 -4.827 7.681 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.753 -6.847 7.591 1.00 0.00 C ATOM 0 H THR A 88 4.866 -2.861 7.039 1.00 0.00 H new ATOM 0 HA THR A 88 5.620 -5.201 5.421 1.00 0.00 H new ATOM 0 HB THR A 88 5.147 -4.974 8.420 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.480 -5.163 8.506 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.220 -7.194 8.513 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.732 -7.224 7.538 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.320 -7.215 6.736 1.00 0.00 H new ATOM 1265 N LEU A 89 3.366 -6.257 5.371 1.00 0.00 N ATOM 1266 CA LEU A 89 2.021 -6.801 5.226 1.00 0.00 C ATOM 1267 C LEU A 89 1.943 -8.217 5.789 1.00 0.00 C ATOM 1268 O LEU A 89 2.570 -9.140 5.268 1.00 0.00 O ATOM 1269 CB LEU A 89 1.606 -6.802 3.753 1.00 0.00 C ATOM 1270 CG LEU A 89 0.168 -7.232 3.462 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.803 -6.109 3.791 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.023 -7.656 2.007 1.00 0.00 C ATOM 0 H LEU A 89 4.064 -6.691 4.766 1.00 0.00 H new ATOM 0 HA LEU A 89 1.336 -6.167 5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.752 -5.798 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.279 -7.463 3.207 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.070 -8.087 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.821 -6.434 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.718 -5.852 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.567 -5.234 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.007 -7.959 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.281 -6.820 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.691 -8.493 1.804 1.00 0.00 H new ATOM 1284 N THR A 90 1.167 -8.382 6.856 1.00 0.00 N ATOM 1285 CA THR A 90 1.005 -9.685 7.489 1.00 0.00 C ATOM 1286 C THR A 90 -0.185 -10.436 6.905 1.00 0.00 C ATOM 1287 O THR A 90 -1.329 -9.995 7.021 1.00 0.00 O ATOM 1288 CB THR A 90 0.815 -9.549 9.012 1.00 0.00 C ATOM 1289 OG1 THR A 90 2.039 -9.125 9.622 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.370 -10.870 9.621 1.00 0.00 C ATOM 0 H THR A 90 0.641 -7.629 7.300 1.00 0.00 H new ATOM 0 HA THR A 90 1.918 -10.248 7.292 1.00 0.00 H new ATOM 0 HB THR A 90 0.041 -8.803 9.195 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.910 -9.039 10.590 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.242 -10.750 10.697 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.576 -11.176 9.175 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.125 -11.632 9.428 1.00 0.00 H new ATOM 1298 N VAL A 91 0.090 -11.575 6.276 1.00 0.00 N ATOM 1299 CA VAL A 91 -0.959 -12.389 5.675 1.00 0.00 C ATOM 1300 C VAL A 91 -1.135 -13.703 6.429 1.00 0.00 C ATOM 1301 O VAL A 91 -0.220 -14.524 6.487 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.654 -12.695 4.197 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -1.819 -13.430 3.552 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.338 -11.413 3.442 1.00 0.00 C ATOM 0 H VAL A 91 1.031 -11.954 6.170 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.882 -11.812 5.736 1.00 0.00 H new ATOM 0 HB VAL A 91 0.222 -13.342 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.585 -13.638 2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.993 -14.368 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.715 -12.811 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.125 -11.648 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.193 -10.739 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.531 -10.932 3.890 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.317 -13.894 7.005 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.613 -15.108 7.756 1.00 0.00 C ATOM 1316 C ARG A 92 -3.286 -16.148 6.865 1.00 0.00 C ATOM 1317 O ARG A 92 -4.298 -15.868 6.222 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.512 -14.787 8.952 1.00 0.00 C ATOM 1319 CG ARG A 92 -2.820 -13.969 10.031 1.00 0.00 C ATOM 1320 CD ARG A 92 -3.458 -14.192 11.393 1.00 0.00 C ATOM 1321 NE ARG A 92 -2.574 -13.789 12.484 1.00 0.00 N ATOM 1322 CZ ARG A 92 -2.978 -13.640 13.740 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -4.245 -13.859 14.063 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -2.114 -13.271 14.677 1.00 0.00 N ATOM 0 H ARG A 92 -3.085 -13.224 6.966 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.671 -15.520 8.118 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.389 -14.243 8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.869 -15.720 9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.765 -14.239 10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.868 -12.911 9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.389 -13.629 11.454 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.715 -15.245 11.505 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.593 -13.612 12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.912 -14.143 13.346 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.552 -13.744 15.029 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.138 -13.101 14.433 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.426 -13.157 15.642 1.00 0.00 H new ATOM 1338 N ALA A 93 -2.718 -17.349 6.833 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.263 -18.431 6.022 1.00 0.00 C ATOM 1340 C ALA A 93 -4.565 -18.959 6.616 1.00 0.00 C ATOM 1341 O ALA A 93 -4.628 -19.295 7.800 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.247 -19.555 5.890 1.00 0.00 C ATOM 0 H ALA A 93 -1.880 -17.597 7.359 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.480 -18.035 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.668 -20.356 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.343 -19.174 5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.001 -19.941 6.879 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.602 -19.029 5.789 1.00 0.00 N ATOM 1349 CA LEU A 94 -6.903 -19.516 6.233 1.00 0.00 C ATOM 1350 C LEU A 94 -6.823 -20.980 6.650 1.00 0.00 C ATOM 1351 O LEU A 94 -6.009 -21.752 6.143 1.00 0.00 O ATOM 1352 CB LEU A 94 -7.940 -19.346 5.120 1.00 0.00 C ATOM 1353 CG LEU A 94 -8.433 -17.920 4.873 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -9.014 -17.791 3.474 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -9.463 -17.524 5.920 1.00 0.00 C ATOM 0 H LEU A 94 -5.567 -18.755 4.807 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.208 -18.928 7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.513 -19.727 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.801 -19.971 5.355 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.583 -17.242 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.360 -16.769 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.247 -18.032 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.852 -18.479 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.803 -16.506 5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.312 -18.206 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.013 -17.576 6.911 1.00 0.00 H new