USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 597 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 7 THR OG1 : rot -125:sc= 0.681 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -111:sc= 0.769 (180deg=-0.00598) USER MOD Set 2.1: A 50 ASN : amide:sc= 1.75 K(o=3.2,f=-1.3) USER MOD Set 2.2: A 58 THR OG1 : rot 106:sc= 0.516 USER MOD Set 2.3: A 68 THR OG1 : rot -137:sc= 0.944 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -166:sc= 1.13 (180deg=-0.239) USER MOD Set 3.2: A 25 THR OG1 : rot 76:sc= 0.68 USER MOD Set 3.3: A 31 TYR OH : rot 179:sc= 1.35 USER MOD Single : A 9 TYR OH : rot -57:sc= 0.277 USER MOD Single : A 10 THR OG1 : rot 159:sc= -1.36 USER MOD Single : A 11 THR OG1 : rot -178:sc= 0.902 USER MOD Single : A 12 SER OG : rot -131:sc= 1.32 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 86:sc= 0.681 USER MOD Single : A 27 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0085) USER MOD Single : A 38 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=-0.028) USER MOD Single : A 39 ASN : amide:sc=-0.00465 K(o=-0.0046,f=-2.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 80:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot -160:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.022) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= 1.06 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 4.972 4.663 5.697 1.00 0.00 N ATOM 61 CA ALA A 5 5.689 4.823 4.440 1.00 0.00 C ATOM 62 C ALA A 5 4.847 4.236 3.325 1.00 0.00 C ATOM 63 O ALA A 5 4.872 4.700 2.178 1.00 0.00 O ATOM 64 CB ALA A 5 7.040 4.132 4.516 1.00 0.00 C ATOM 0 HA ALA A 5 5.865 5.880 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.567 4.258 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.629 4.572 5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.895 3.070 4.711 1.00 0.00 H new ATOM 70 N LEU A 6 4.095 3.215 3.686 1.00 0.00 N ATOM 71 CA LEU A 6 3.172 2.577 2.799 1.00 0.00 C ATOM 72 C LEU A 6 1.797 2.787 3.372 1.00 0.00 C ATOM 73 O LEU A 6 1.507 2.319 4.484 1.00 0.00 O ATOM 74 CB LEU A 6 3.400 1.045 2.675 1.00 0.00 C ATOM 75 CG LEU A 6 4.778 0.520 2.262 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.260 1.192 1.031 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.796 0.625 3.366 1.00 0.00 C ATOM 0 H LEU A 6 4.116 2.807 4.621 1.00 0.00 H new ATOM 0 HA LEU A 6 3.303 3.008 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.156 0.599 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.676 0.664 1.955 1.00 0.00 H new ATOM 0 HG LEU A 6 4.654 -0.542 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.240 0.799 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.559 1.007 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.335 2.265 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.753 0.238 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.911 1.669 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.462 0.044 4.225 1.00 0.00 H new ATOM 89 N THR A 7 0.979 3.494 2.675 1.00 0.00 N ATOM 90 CA THR A 7 -0.366 3.696 3.114 1.00 0.00 C ATOM 91 C THR A 7 -1.242 2.762 2.290 1.00 0.00 C ATOM 92 O THR A 7 -1.406 2.967 1.087 1.00 0.00 O ATOM 93 CB THR A 7 -0.783 5.146 2.847 1.00 0.00 C ATOM 94 OG1 THR A 7 0.283 6.033 3.244 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.030 5.496 3.627 1.00 0.00 C ATOM 0 H THR A 7 1.215 3.947 1.792 1.00 0.00 H new ATOM 0 HA THR A 7 -0.464 3.496 4.181 1.00 0.00 H new ATOM 0 HB THR A 7 -0.989 5.256 1.782 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.062 6.695 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.309 6.530 3.423 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.844 4.835 3.328 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.838 5.376 4.693 1.00 0.00 H new ATOM 103 N ILE A 8 -1.747 1.732 2.912 1.00 0.00 N ATOM 104 CA ILE A 8 -2.509 0.730 2.206 1.00 0.00 C ATOM 105 C ILE A 8 -3.985 0.887 2.485 1.00 0.00 C ATOM 106 O ILE A 8 -4.402 1.052 3.622 1.00 0.00 O ATOM 107 CB ILE A 8 -2.045 -0.708 2.579 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.554 -0.871 2.268 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.862 -1.763 1.825 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.008 -2.235 2.595 1.00 0.00 C ATOM 0 H ILE A 8 -1.645 1.561 3.912 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.333 0.877 1.140 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.207 -0.856 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.390 -0.669 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.008 -0.122 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.517 -2.758 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.916 -1.659 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.735 -1.623 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.053 -2.271 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.139 -2.434 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.542 -2.989 2.017 1.00 0.00 H new ATOM 122 N TYR A 9 -4.751 0.862 1.457 1.00 0.00 N ATOM 123 CA TYR A 9 -6.167 0.991 1.561 1.00 0.00 C ATOM 124 C TYR A 9 -6.800 -0.397 1.625 1.00 0.00 C ATOM 125 O TYR A 9 -6.591 -1.215 0.743 1.00 0.00 O ATOM 126 CB TYR A 9 -6.667 1.826 0.371 1.00 0.00 C ATOM 127 CG TYR A 9 -6.079 3.233 0.379 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.610 4.230 1.188 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.963 3.546 -0.386 1.00 0.00 C ATOM 130 CE1 TYR A 9 -6.051 5.492 1.223 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.395 4.796 -0.348 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.939 5.765 0.454 1.00 0.00 C ATOM 133 OH TYR A 9 -4.365 7.009 0.495 1.00 0.00 O ATOM 0 H TYR A 9 -4.411 0.750 0.502 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.455 1.509 2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.401 1.326 -0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.755 1.887 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.474 4.014 1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.532 2.790 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.482 6.260 1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.524 5.014 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.032 7.685 0.253 1.00 0.00 H new ATOM 143 N THR A 10 -7.505 -0.679 2.707 1.00 0.00 N ATOM 144 CA THR A 10 -8.151 -1.965 2.897 1.00 0.00 C ATOM 145 C THR A 10 -9.530 -1.780 3.501 1.00 0.00 C ATOM 146 O THR A 10 -9.796 -0.763 4.142 1.00 0.00 O ATOM 147 CB THR A 10 -7.323 -2.892 3.817 1.00 0.00 C ATOM 148 OG1 THR A 10 -6.900 -2.179 4.997 1.00 0.00 O ATOM 149 CG2 THR A 10 -6.116 -3.489 3.102 1.00 0.00 C ATOM 0 H THR A 10 -7.645 -0.024 3.477 1.00 0.00 H new ATOM 0 HA THR A 10 -8.232 -2.430 1.915 1.00 0.00 H new ATOM 0 HB THR A 10 -7.971 -3.720 4.106 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.684 -2.820 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.567 -4.132 3.790 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.453 -4.076 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.464 -2.687 2.757 1.00 0.00 H new ATOM 157 N THR A 11 -10.392 -2.742 3.293 1.00 0.00 N ATOM 158 CA THR A 11 -11.732 -2.718 3.819 1.00 0.00 C ATOM 159 C THR A 11 -12.106 -4.131 4.231 1.00 0.00 C ATOM 160 O THR A 11 -11.313 -5.066 4.062 1.00 0.00 O ATOM 161 CB THR A 11 -12.728 -2.302 2.717 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.530 -3.153 1.584 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.566 -0.861 2.290 1.00 0.00 C ATOM 0 H THR A 11 -10.179 -3.576 2.746 1.00 0.00 H new ATOM 0 HA THR A 11 -11.772 -2.018 4.654 1.00 0.00 H new ATOM 0 HB THR A 11 -13.734 -2.402 3.123 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.138 -2.885 0.863 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.294 -0.628 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.728 -0.207 3.147 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.559 -0.708 1.902 1.00 0.00 H new ATOM 171 N SER A 12 -13.320 -4.300 4.703 1.00 0.00 N ATOM 172 CA SER A 12 -13.859 -5.601 4.994 1.00 0.00 C ATOM 173 C SER A 12 -14.222 -6.342 3.693 1.00 0.00 C ATOM 174 O SER A 12 -14.656 -7.493 3.712 1.00 0.00 O ATOM 175 CB SER A 12 -15.059 -5.446 5.920 1.00 0.00 C ATOM 176 OG SER A 12 -15.885 -4.357 5.502 1.00 0.00 O ATOM 0 H SER A 12 -13.962 -3.531 4.896 1.00 0.00 H new ATOM 0 HA SER A 12 -13.110 -6.208 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.641 -6.368 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.717 -5.278 6.941 1.00 0.00 H new ATOM 0 HG SER A 12 -16.090 -3.787 6.273 1.00 0.00 H new ATOM 182 N TRP A 13 -14.002 -5.676 2.553 1.00 0.00 N ATOM 183 CA TRP A 13 -14.251 -6.257 1.246 1.00 0.00 C ATOM 184 C TRP A 13 -12.947 -6.878 0.761 1.00 0.00 C ATOM 185 O TRP A 13 -12.832 -7.328 -0.386 1.00 0.00 O ATOM 186 CB TRP A 13 -14.669 -5.175 0.219 1.00 0.00 C ATOM 187 CG TRP A 13 -15.662 -4.171 0.721 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.734 -4.404 1.509 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.674 -2.762 0.433 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.396 -3.236 1.760 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.768 -2.213 1.111 1.00 0.00 C ATOM 192 CE3 TRP A 13 -14.853 -1.916 -0.326 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.075 -0.855 1.065 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.159 -0.569 -0.376 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.258 -0.051 0.318 1.00 0.00 C ATOM 0 H TRP A 13 -13.647 -4.720 2.520 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.054 -6.989 1.332 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -13.775 -4.645 -0.111 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.088 -5.670 -0.657 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.025 -5.373 1.886 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -18.229 -3.143 2.341 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -14.000 -2.308 -0.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.924 -0.453 1.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.539 0.095 -0.961 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.466 1.007 0.263 1.00 0.00 H new ATOM 206 N CYS A 14 -11.957 -6.883 1.633 1.00 0.00 N ATOM 207 CA CYS A 14 -10.660 -7.362 1.283 1.00 0.00 C ATOM 208 C CYS A 14 -10.449 -8.819 1.562 1.00 0.00 C ATOM 209 O CYS A 14 -10.491 -9.280 2.703 1.00 0.00 O ATOM 210 CB CYS A 14 -9.563 -6.544 1.946 1.00 0.00 C ATOM 211 SG CYS A 14 -9.111 -5.049 1.025 1.00 0.00 S ATOM 0 H CYS A 14 -12.041 -6.555 2.595 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.601 -7.239 0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.889 -6.259 2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.678 -7.169 2.065 1.00 0.00 H new ATOM 216 N GLY A 15 -10.220 -9.519 0.494 1.00 0.00 N ATOM 217 CA GLY A 15 -9.809 -10.875 0.525 1.00 0.00 C ATOM 218 C GLY A 15 -8.508 -10.973 -0.215 1.00 0.00 C ATOM 219 O GLY A 15 -7.487 -11.330 0.356 1.00 0.00 O ATOM 0 H GLY A 15 -10.319 -9.144 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.691 -11.216 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.561 -11.514 0.062 1.00 0.00 H new ATOM 223 N TYR A 16 -8.514 -10.538 -1.481 1.00 0.00 N ATOM 224 CA TYR A 16 -7.293 -10.564 -2.299 1.00 0.00 C ATOM 225 C TYR A 16 -6.246 -9.566 -1.808 1.00 0.00 C ATOM 226 O TYR A 16 -5.062 -9.702 -2.106 1.00 0.00 O ATOM 227 CB TYR A 16 -7.570 -10.404 -3.822 1.00 0.00 C ATOM 228 CG TYR A 16 -8.169 -9.077 -4.296 1.00 0.00 C ATOM 229 CD1 TYR A 16 -9.518 -8.811 -4.154 1.00 0.00 C ATOM 230 CD2 TYR A 16 -7.385 -8.119 -4.939 1.00 0.00 C ATOM 231 CE1 TYR A 16 -10.072 -7.627 -4.615 1.00 0.00 C ATOM 232 CE2 TYR A 16 -7.930 -6.951 -5.409 1.00 0.00 C ATOM 233 CZ TYR A 16 -9.272 -6.703 -5.246 1.00 0.00 C ATOM 234 OH TYR A 16 -9.815 -5.523 -5.724 1.00 0.00 O ATOM 0 H TYR A 16 -9.337 -10.169 -1.957 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.876 -11.563 -2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.630 -10.558 -4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.243 -11.205 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.153 -9.541 -3.674 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.328 -8.300 -5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.125 -7.431 -4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.304 -6.226 -5.908 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.111 -4.984 -6.141 1.00 0.00 H new ATOM 244 N CYS A 17 -6.681 -8.584 -1.019 1.00 0.00 N ATOM 245 CA CYS A 17 -5.769 -7.583 -0.450 1.00 0.00 C ATOM 246 C CYS A 17 -4.790 -8.262 0.520 1.00 0.00 C ATOM 247 O CYS A 17 -3.635 -7.855 0.649 1.00 0.00 O ATOM 248 CB CYS A 17 -6.550 -6.530 0.349 1.00 0.00 C ATOM 249 SG CYS A 17 -7.985 -5.792 -0.506 1.00 0.00 S ATOM 0 H CYS A 17 -7.659 -8.457 -0.757 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.237 -7.110 -1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.898 -6.988 1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.865 -5.729 0.627 1.00 0.00 H new ATOM 254 N LEU A 18 -5.252 -9.336 1.153 1.00 0.00 N ATOM 255 CA LEU A 18 -4.507 -10.015 2.197 1.00 0.00 C ATOM 256 C LEU A 18 -3.280 -10.723 1.668 1.00 0.00 C ATOM 257 O LEU A 18 -2.283 -10.837 2.364 1.00 0.00 O ATOM 258 CB LEU A 18 -5.407 -10.981 2.913 1.00 0.00 C ATOM 259 CG LEU A 18 -6.624 -10.348 3.573 1.00 0.00 C ATOM 260 CD1 LEU A 18 -7.445 -11.405 4.209 1.00 0.00 C ATOM 261 CD2 LEU A 18 -6.216 -9.302 4.605 1.00 0.00 C ATOM 0 H LEU A 18 -6.158 -9.758 0.952 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.152 -9.257 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.747 -11.735 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.826 -11.501 3.675 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.210 -9.842 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.317 -10.953 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.772 -12.117 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.851 -11.923 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.109 -8.870 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.608 -9.772 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.639 -8.516 4.118 1.00 0.00 H new ATOM 273 N ARG A 19 -3.339 -11.137 0.414 1.00 0.00 N ATOM 274 CA ARG A 19 -2.225 -11.848 -0.220 1.00 0.00 C ATOM 275 C ARG A 19 -0.994 -10.954 -0.313 1.00 0.00 C ATOM 276 O ARG A 19 0.138 -11.422 -0.212 1.00 0.00 O ATOM 277 CB ARG A 19 -2.630 -12.352 -1.606 1.00 0.00 C ATOM 278 CG ARG A 19 -3.794 -13.332 -1.586 1.00 0.00 C ATOM 279 CD ARG A 19 -3.453 -14.592 -0.803 1.00 0.00 C ATOM 280 NE ARG A 19 -2.358 -15.342 -1.427 1.00 0.00 N ATOM 281 CZ ARG A 19 -1.469 -16.109 -0.782 1.00 0.00 C ATOM 282 NH1 ARG A 19 -1.462 -16.166 0.555 1.00 0.00 N ATOM 283 NH2 ARG A 19 -0.579 -16.811 -1.481 1.00 0.00 N ATOM 0 H ARG A 19 -4.146 -10.996 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.973 -12.708 0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.896 -11.498 -2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.770 -12.832 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.666 -12.852 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.063 -13.600 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.175 -14.322 0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.336 -15.227 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.265 -15.274 -2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.138 -15.622 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.781 -16.753 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.578 -16.762 -2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.101 -17.397 -0.998 1.00 0.00 H new ATOM 297 N LEU A 20 -1.229 -9.677 -0.486 1.00 0.00 N ATOM 298 CA LEU A 20 -0.163 -8.702 -0.533 1.00 0.00 C ATOM 299 C LEU A 20 0.210 -8.294 0.883 1.00 0.00 C ATOM 300 O LEU A 20 1.383 -8.207 1.227 1.00 0.00 O ATOM 301 CB LEU A 20 -0.617 -7.471 -1.311 1.00 0.00 C ATOM 302 CG LEU A 20 0.314 -6.242 -1.303 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.476 -6.356 -2.295 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.486 -4.976 -1.511 1.00 0.00 C ATOM 0 H LEU A 20 -2.163 -9.282 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 20 0.702 -9.141 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.774 -7.767 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.585 -7.162 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 20 0.780 -6.199 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.092 -5.459 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.081 -7.228 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.082 -6.463 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.184 -4.117 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.002 -5.025 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.218 -4.873 -0.710 1.00 0.00 H new ATOM 316 N LYS A 21 -0.813 -8.073 1.694 1.00 0.00 N ATOM 317 CA LYS A 21 -0.670 -7.611 3.065 1.00 0.00 C ATOM 318 C LYS A 21 0.236 -8.549 3.878 1.00 0.00 C ATOM 319 O LYS A 21 1.250 -8.119 4.435 1.00 0.00 O ATOM 320 CB LYS A 21 -2.057 -7.505 3.708 1.00 0.00 C ATOM 321 CG LYS A 21 -2.063 -6.845 5.064 1.00 0.00 C ATOM 322 CD LYS A 21 -3.454 -6.811 5.671 1.00 0.00 C ATOM 323 CE LYS A 21 -3.448 -6.116 7.026 1.00 0.00 C ATOM 324 NZ LYS A 21 -2.523 -6.761 7.974 1.00 0.00 N ATOM 0 H LYS A 21 -1.783 -8.212 1.412 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.197 -6.629 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.712 -6.944 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.479 -8.506 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.389 -7.381 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.681 -5.828 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.135 -6.292 4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.830 -7.828 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.164 -5.072 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.456 -6.123 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.718 -6.418 8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.655 -7.792 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.543 -6.528 7.715 1.00 0.00 H new ATOM 338 N THR A 22 -0.100 -9.830 3.881 1.00 0.00 N ATOM 339 CA THR A 22 0.652 -10.833 4.607 1.00 0.00 C ATOM 340 C THR A 22 2.092 -10.963 4.044 1.00 0.00 C ATOM 341 O THR A 22 3.046 -11.244 4.784 1.00 0.00 O ATOM 342 CB THR A 22 -0.090 -12.182 4.525 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.468 -11.969 4.875 1.00 0.00 O ATOM 344 CG2 THR A 22 0.511 -13.194 5.490 1.00 0.00 C ATOM 0 H THR A 22 -0.905 -10.201 3.377 1.00 0.00 H new ATOM 0 HA THR A 22 0.734 -10.530 5.651 1.00 0.00 H new ATOM 0 HB THR A 22 -0.000 -12.572 3.511 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.968 -11.689 4.080 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.030 -14.137 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.560 -13.356 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.435 -12.815 6.509 1.00 0.00 H new ATOM 352 N ALA A 23 2.244 -10.698 2.752 1.00 0.00 N ATOM 353 CA ALA A 23 3.544 -10.749 2.097 1.00 0.00 C ATOM 354 C ALA A 23 4.422 -9.634 2.604 1.00 0.00 C ATOM 355 O ALA A 23 5.616 -9.824 2.829 1.00 0.00 O ATOM 356 CB ALA A 23 3.379 -10.650 0.598 1.00 0.00 C ATOM 0 H ALA A 23 1.475 -10.443 2.133 1.00 0.00 H new ATOM 0 HA ALA A 23 4.019 -11.702 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.358 -10.689 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.769 -11.481 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.891 -9.708 0.347 1.00 0.00 H new ATOM 362 N LEU A 24 3.826 -8.488 2.816 1.00 0.00 N ATOM 363 CA LEU A 24 4.538 -7.344 3.317 1.00 0.00 C ATOM 364 C LEU A 24 4.929 -7.576 4.771 1.00 0.00 C ATOM 365 O LEU A 24 6.045 -7.248 5.179 1.00 0.00 O ATOM 366 CB LEU A 24 3.708 -6.072 3.146 1.00 0.00 C ATOM 367 CG LEU A 24 3.284 -5.738 1.705 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.549 -4.425 1.653 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.468 -5.724 0.754 1.00 0.00 C ATOM 0 H LEU A 24 2.834 -8.324 2.646 1.00 0.00 H new ATOM 0 HA LEU A 24 5.452 -7.209 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.810 -6.162 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.280 -5.232 3.540 1.00 0.00 H new ATOM 0 HG LEU A 24 2.609 -6.529 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.260 -4.211 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.657 -4.483 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.198 -3.630 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.124 -5.484 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.188 -4.973 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.943 -6.705 0.750 1.00 0.00 H new ATOM 381 N THR A 25 4.026 -8.185 5.532 1.00 0.00 N ATOM 382 CA THR A 25 4.292 -8.584 6.906 1.00 0.00 C ATOM 383 C THR A 25 5.503 -9.555 6.954 1.00 0.00 C ATOM 384 O THR A 25 6.411 -9.418 7.798 1.00 0.00 O ATOM 385 CB THR A 25 3.042 -9.276 7.504 1.00 0.00 C ATOM 386 OG1 THR A 25 1.925 -8.396 7.394 1.00 0.00 O ATOM 387 CG2 THR A 25 3.250 -9.653 8.970 1.00 0.00 C ATOM 0 H THR A 25 3.086 -8.416 5.210 1.00 0.00 H new ATOM 0 HA THR A 25 4.526 -7.696 7.493 1.00 0.00 H new ATOM 0 HB THR A 25 2.862 -10.195 6.946 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.606 -8.387 6.467 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.351 -10.136 9.353 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.093 -10.338 9.053 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.454 -8.754 9.551 1.00 0.00 H new ATOM 395 N ALA A 26 5.527 -10.499 6.021 1.00 0.00 N ATOM 396 CA ALA A 26 6.614 -11.464 5.923 1.00 0.00 C ATOM 397 C ALA A 26 7.914 -10.784 5.514 1.00 0.00 C ATOM 398 O ALA A 26 8.974 -11.097 6.020 1.00 0.00 O ATOM 399 CB ALA A 26 6.257 -12.561 4.937 1.00 0.00 C ATOM 0 H ALA A 26 4.799 -10.617 5.316 1.00 0.00 H new ATOM 0 HA ALA A 26 6.762 -11.910 6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.078 -13.275 4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.356 -13.073 5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.080 -12.124 3.954 1.00 0.00 H new ATOM 405 N ASN A 27 7.799 -9.817 4.635 1.00 0.00 N ATOM 406 CA ASN A 27 8.941 -9.054 4.105 1.00 0.00 C ATOM 407 C ASN A 27 9.427 -7.967 5.072 1.00 0.00 C ATOM 408 O ASN A 27 10.317 -7.174 4.729 1.00 0.00 O ATOM 409 CB ASN A 27 8.575 -8.431 2.751 1.00 0.00 C ATOM 410 CG ASN A 27 8.816 -9.334 1.553 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.897 -9.326 0.961 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.823 -10.089 1.174 1.00 0.00 N ATOM 0 H ASN A 27 6.901 -9.521 4.252 1.00 0.00 H new ATOM 0 HA ASN A 27 9.764 -9.757 3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.523 -8.147 2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.150 -7.515 2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.927 -10.699 0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.942 -10.070 1.688 1.00 0.00 H new ATOM 419 N ARG A 28 8.845 -7.941 6.282 1.00 0.00 N ATOM 420 CA ARG A 28 9.197 -6.972 7.345 1.00 0.00 C ATOM 421 C ARG A 28 8.916 -5.531 6.902 1.00 0.00 C ATOM 422 O ARG A 28 9.520 -4.592 7.405 1.00 0.00 O ATOM 423 CB ARG A 28 10.684 -7.087 7.822 1.00 0.00 C ATOM 424 CG ARG A 28 11.080 -8.377 8.562 1.00 0.00 C ATOM 425 CD ARG A 28 11.230 -9.575 7.634 1.00 0.00 C ATOM 426 NE ARG A 28 12.292 -9.372 6.635 1.00 0.00 N ATOM 427 CZ ARG A 28 12.470 -10.119 5.530 1.00 0.00 C ATOM 428 NH1 ARG A 28 11.604 -11.080 5.213 1.00 0.00 N ATOM 429 NH2 ARG A 28 13.491 -9.873 4.729 1.00 0.00 N ATOM 0 H ARG A 28 8.111 -8.594 6.557 1.00 0.00 H new ATOM 0 HA ARG A 28 8.560 -7.227 8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.329 -6.985 6.949 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.897 -6.242 8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.020 -8.213 9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.327 -8.602 9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.453 -10.464 8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.284 -9.759 7.125 1.00 0.00 H new ATOM 0 HE ARG A 28 12.945 -8.604 6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.796 -11.256 5.810 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.749 -11.640 4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.142 -9.119 4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.629 -10.437 3.891 1.00 0.00 H new ATOM 443 N ILE A 29 7.988 -5.361 6.000 1.00 0.00 N ATOM 444 CA ILE A 29 7.659 -4.051 5.492 1.00 0.00 C ATOM 445 C ILE A 29 6.654 -3.383 6.426 1.00 0.00 C ATOM 446 O ILE A 29 5.613 -3.961 6.746 1.00 0.00 O ATOM 447 CB ILE A 29 7.138 -4.136 4.020 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.265 -4.661 3.099 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.632 -2.786 3.532 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.869 -4.851 1.653 1.00 0.00 C ATOM 0 H ILE A 29 7.439 -6.120 5.596 1.00 0.00 H new ATOM 0 HA ILE A 29 8.557 -3.434 5.465 1.00 0.00 H new ATOM 0 HB ILE A 29 6.298 -4.830 3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.103 -3.966 3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.621 -5.614 3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.277 -2.880 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.814 -2.452 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.442 -2.058 3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.724 -5.221 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.053 -5.571 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.544 -3.898 1.237 1.00 0.00 H new ATOM 462 N ALA A 30 6.997 -2.199 6.892 1.00 0.00 N ATOM 463 CA ALA A 30 6.181 -1.474 7.849 1.00 0.00 C ATOM 464 C ALA A 30 5.151 -0.614 7.128 1.00 0.00 C ATOM 465 O ALA A 30 5.509 0.334 6.418 1.00 0.00 O ATOM 466 CB ALA A 30 7.066 -0.626 8.751 1.00 0.00 C ATOM 0 H ALA A 30 7.850 -1.711 6.619 1.00 0.00 H new ATOM 0 HA ALA A 30 5.643 -2.190 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.445 -0.086 9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.761 -1.271 9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.626 0.086 8.145 1.00 0.00 H new ATOM 472 N TYR A 31 3.889 -0.921 7.328 1.00 0.00 N ATOM 473 CA TYR A 31 2.816 -0.264 6.605 1.00 0.00 C ATOM 474 C TYR A 31 1.647 0.051 7.521 1.00 0.00 C ATOM 475 O TYR A 31 1.514 -0.518 8.618 1.00 0.00 O ATOM 476 CB TYR A 31 2.331 -1.163 5.435 1.00 0.00 C ATOM 477 CG TYR A 31 1.714 -2.489 5.879 1.00 0.00 C ATOM 478 CD1 TYR A 31 0.355 -2.580 6.172 1.00 0.00 C ATOM 479 CD2 TYR A 31 2.492 -3.630 6.033 1.00 0.00 C ATOM 480 CE1 TYR A 31 -0.202 -3.757 6.608 1.00 0.00 C ATOM 481 CE2 TYR A 31 1.933 -4.819 6.461 1.00 0.00 C ATOM 482 CZ TYR A 31 0.586 -4.870 6.752 1.00 0.00 C ATOM 483 OH TYR A 31 0.030 -6.036 7.210 1.00 0.00 O ATOM 0 H TYR A 31 3.575 -1.629 7.992 1.00 0.00 H new ATOM 0 HA TYR A 31 3.206 0.674 6.209 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.596 -0.612 4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.175 -1.370 4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.272 -1.709 6.054 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.549 -3.587 5.815 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.256 -3.806 6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.546 -5.702 6.567 1.00 0.00 H new ATOM 0 HH TYR A 31 0.716 -6.736 7.240 1.00 0.00 H new ATOM 493 N ASP A 32 0.785 0.911 7.055 1.00 0.00 N ATOM 494 CA ASP A 32 -0.413 1.274 7.770 1.00 0.00 C ATOM 495 C ASP A 32 -1.589 1.105 6.848 1.00 0.00 C ATOM 496 O ASP A 32 -1.572 1.607 5.715 1.00 0.00 O ATOM 497 CB ASP A 32 -0.336 2.717 8.269 1.00 0.00 C ATOM 498 CG ASP A 32 -1.563 3.154 9.042 1.00 0.00 C ATOM 499 OD1 ASP A 32 -1.605 2.955 10.278 1.00 0.00 O ATOM 500 OD2 ASP A 32 -2.495 3.716 8.441 1.00 0.00 O ATOM 0 H ASP A 32 0.893 1.386 6.159 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.524 0.629 8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.543 2.827 8.905 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.198 3.381 7.416 1.00 0.00 H new ATOM 505 N GLU A 33 -2.560 0.354 7.281 1.00 0.00 N ATOM 506 CA GLU A 33 -3.746 0.145 6.507 1.00 0.00 C ATOM 507 C GLU A 33 -4.883 1.034 6.994 1.00 0.00 C ATOM 508 O GLU A 33 -5.127 1.169 8.198 1.00 0.00 O ATOM 509 CB GLU A 33 -4.083 -1.356 6.321 1.00 0.00 C ATOM 510 CG GLU A 33 -3.893 -2.261 7.541 1.00 0.00 C ATOM 511 CD GLU A 33 -4.898 -2.058 8.635 1.00 0.00 C ATOM 512 OE1 GLU A 33 -5.988 -2.667 8.574 1.00 0.00 O ATOM 513 OE2 GLU A 33 -4.601 -1.334 9.603 1.00 0.00 O ATOM 0 H GLU A 33 -2.551 -0.129 8.179 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.559 0.475 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.121 -1.434 5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.467 -1.745 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.936 -3.300 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.895 -2.095 7.947 1.00 0.00 H new ATOM 520 N VAL A 34 -5.531 1.674 6.064 1.00 0.00 N ATOM 521 CA VAL A 34 -6.459 2.730 6.381 1.00 0.00 C ATOM 522 C VAL A 34 -7.869 2.248 6.774 1.00 0.00 C ATOM 523 O VAL A 34 -8.479 1.414 6.115 1.00 0.00 O ATOM 524 CB VAL A 34 -6.527 3.800 5.248 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.290 5.035 5.709 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.133 4.190 4.794 1.00 0.00 C ATOM 0 H VAL A 34 -5.434 1.482 5.067 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.051 3.196 7.278 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.060 3.359 4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.323 5.765 4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.306 4.753 5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.788 5.472 6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.204 4.937 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.579 4.604 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.614 3.309 4.416 1.00 0.00 H new ATOM 536 N ASP A 35 -8.343 2.870 7.841 1.00 0.00 N ATOM 537 CA ASP A 35 -9.661 2.742 8.535 1.00 0.00 C ATOM 538 C ASP A 35 -10.899 2.993 7.631 1.00 0.00 C ATOM 539 O ASP A 35 -12.042 2.885 8.108 1.00 0.00 O ATOM 540 CB ASP A 35 -9.711 3.758 9.685 1.00 0.00 C ATOM 541 CG ASP A 35 -8.618 3.593 10.702 1.00 0.00 C ATOM 542 OD1 ASP A 35 -7.475 4.019 10.423 1.00 0.00 O ATOM 543 OD2 ASP A 35 -8.878 3.043 11.807 1.00 0.00 O ATOM 0 H ASP A 35 -7.763 3.563 8.314 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.720 1.707 8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.655 4.764 9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.675 3.674 10.187 1.00 0.00 H new ATOM 548 N ILE A 36 -10.664 3.306 6.353 1.00 0.00 N ATOM 549 CA ILE A 36 -11.637 3.928 5.390 1.00 0.00 C ATOM 550 C ILE A 36 -13.077 3.416 5.399 1.00 0.00 C ATOM 551 O ILE A 36 -13.977 4.189 5.090 1.00 0.00 O ATOM 552 CB ILE A 36 -11.171 3.761 3.927 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.903 2.289 3.612 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.974 4.606 3.611 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.579 2.028 2.170 1.00 0.00 C ATOM 0 H ILE A 36 -9.756 3.133 5.922 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.645 4.956 5.751 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.981 4.112 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.076 1.940 4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.778 1.702 3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.685 4.453 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.218 5.656 3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.147 4.324 4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.401 0.963 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.415 2.345 1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.685 2.586 1.891 1.00 0.00 H new ATOM 567 N GLU A 37 -13.321 2.188 5.769 1.00 0.00 N ATOM 568 CA GLU A 37 -14.661 1.654 5.649 1.00 0.00 C ATOM 569 C GLU A 37 -15.665 2.310 6.607 1.00 0.00 C ATOM 570 O GLU A 37 -16.870 2.150 6.449 1.00 0.00 O ATOM 571 CB GLU A 37 -14.681 0.146 5.766 1.00 0.00 C ATOM 572 CG GLU A 37 -14.266 -0.409 7.104 1.00 0.00 C ATOM 573 CD GLU A 37 -14.441 -1.896 7.131 1.00 0.00 C ATOM 574 OE1 GLU A 37 -15.606 -2.363 7.169 1.00 0.00 O ATOM 575 OE2 GLU A 37 -13.434 -2.627 7.065 1.00 0.00 O ATOM 0 H GLU A 37 -12.628 1.544 6.150 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.992 1.911 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.689 -0.204 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.024 -0.269 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.225 -0.156 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.861 0.048 7.895 1.00 0.00 H new ATOM 582 N HIS A 38 -15.177 3.044 7.578 1.00 0.00 N ATOM 583 CA HIS A 38 -16.072 3.737 8.478 1.00 0.00 C ATOM 584 C HIS A 38 -15.896 5.262 8.345 1.00 0.00 C ATOM 585 O HIS A 38 -16.653 6.041 8.932 1.00 0.00 O ATOM 586 CB HIS A 38 -15.838 3.273 9.932 1.00 0.00 C ATOM 587 CG HIS A 38 -16.883 3.734 10.912 1.00 0.00 C ATOM 588 ND1 HIS A 38 -16.673 4.693 11.879 1.00 0.00 N ATOM 589 CD2 HIS A 38 -18.166 3.333 11.059 1.00 0.00 C ATOM 590 CE1 HIS A 38 -17.802 4.842 12.567 1.00 0.00 C ATOM 591 NE2 HIS A 38 -18.749 4.038 12.105 1.00 0.00 N ATOM 0 H HIS A 38 -14.183 3.177 7.765 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.099 3.493 8.207 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.797 2.184 9.950 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.864 3.634 10.263 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.660 2.583 10.458 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.930 5.527 13.392 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -19.707 3.954 12.446 1.00 0.00 H new ATOM 599 N ASN A 39 -14.933 5.691 7.542 1.00 0.00 N ATOM 600 CA ASN A 39 -14.650 7.120 7.417 1.00 0.00 C ATOM 601 C ASN A 39 -14.604 7.604 5.984 1.00 0.00 C ATOM 602 O ASN A 39 -13.652 7.337 5.229 1.00 0.00 O ATOM 603 CB ASN A 39 -13.427 7.581 8.244 1.00 0.00 C ATOM 604 CG ASN A 39 -12.140 6.827 7.984 1.00 0.00 C ATOM 605 OD1 ASN A 39 -11.918 5.783 8.559 1.00 0.00 O ATOM 606 ND2 ASN A 39 -11.251 7.376 7.198 1.00 0.00 N ATOM 0 H ASN A 39 -14.341 5.084 6.974 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.512 7.614 7.866 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.254 8.639 8.045 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.672 7.492 9.302 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.347 6.925 7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.462 8.255 6.725 1.00 0.00 H new ATOM 613 N ARG A 40 -15.638 8.363 5.647 1.00 0.00 N ATOM 614 CA ARG A 40 -15.899 8.903 4.310 1.00 0.00 C ATOM 615 C ARG A 40 -14.710 9.657 3.704 1.00 0.00 C ATOM 616 O ARG A 40 -14.446 9.517 2.519 1.00 0.00 O ATOM 617 CB ARG A 40 -17.137 9.820 4.345 1.00 0.00 C ATOM 618 CG ARG A 40 -17.011 11.009 5.301 1.00 0.00 C ATOM 619 CD ARG A 40 -18.241 11.903 5.294 1.00 0.00 C ATOM 620 NE ARG A 40 -18.416 12.610 4.016 1.00 0.00 N ATOM 621 CZ ARG A 40 -19.064 13.780 3.864 1.00 0.00 C ATOM 622 NH1 ARG A 40 -19.519 14.441 4.931 1.00 0.00 N ATOM 623 NH2 ARG A 40 -19.203 14.311 2.652 1.00 0.00 N ATOM 0 H ARG A 40 -16.351 8.634 6.324 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.079 8.043 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.326 10.195 3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -18.006 9.228 4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.841 10.640 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.137 11.599 5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.126 11.300 5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.161 12.632 6.101 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.016 12.181 3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.376 14.060 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.009 15.327 4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.819 13.831 1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.694 15.198 2.537 1.00 0.00 H new ATOM 637 N ALA A 41 -13.983 10.408 4.536 1.00 0.00 N ATOM 638 CA ALA A 41 -12.884 11.272 4.081 1.00 0.00 C ATOM 639 C ALA A 41 -11.846 10.520 3.265 1.00 0.00 C ATOM 640 O ALA A 41 -11.527 10.897 2.136 1.00 0.00 O ATOM 641 CB ALA A 41 -12.234 11.953 5.264 1.00 0.00 C ATOM 0 H ALA A 41 -14.138 10.436 5.544 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.318 12.023 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.421 12.590 4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.974 12.560 5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.838 11.200 5.945 1.00 0.00 H new ATOM 647 N ALA A 42 -11.360 9.446 3.810 1.00 0.00 N ATOM 648 CA ALA A 42 -10.338 8.684 3.148 1.00 0.00 C ATOM 649 C ALA A 42 -10.952 7.664 2.195 1.00 0.00 C ATOM 650 O ALA A 42 -10.340 7.291 1.205 1.00 0.00 O ATOM 651 CB ALA A 42 -9.426 8.027 4.165 1.00 0.00 C ATOM 0 H ALA A 42 -11.654 9.075 4.713 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.731 9.361 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.657 7.453 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.955 8.794 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.010 7.361 4.800 1.00 0.00 H new ATOM 657 N ALA A 43 -12.179 7.234 2.481 1.00 0.00 N ATOM 658 CA ALA A 43 -12.864 6.255 1.636 1.00 0.00 C ATOM 659 C ALA A 43 -13.160 6.842 0.271 1.00 0.00 C ATOM 660 O ALA A 43 -13.034 6.171 -0.758 1.00 0.00 O ATOM 661 CB ALA A 43 -14.147 5.783 2.287 1.00 0.00 C ATOM 0 H ALA A 43 -12.719 7.546 3.288 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.202 5.398 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.638 5.056 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.919 5.319 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.810 6.634 2.444 1.00 0.00 H new ATOM 667 N GLU A 44 -13.518 8.105 0.265 1.00 0.00 N ATOM 668 CA GLU A 44 -13.842 8.795 -0.954 1.00 0.00 C ATOM 669 C GLU A 44 -12.552 9.051 -1.746 1.00 0.00 C ATOM 670 O GLU A 44 -12.546 9.058 -2.976 1.00 0.00 O ATOM 671 CB GLU A 44 -14.541 10.110 -0.621 1.00 0.00 C ATOM 672 CG GLU A 44 -15.344 10.693 -1.762 1.00 0.00 C ATOM 673 CD GLU A 44 -16.496 9.799 -2.139 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.292 8.830 -2.900 1.00 0.00 O ATOM 675 OE2 GLU A 44 -17.627 10.029 -1.654 1.00 0.00 O ATOM 0 H GLU A 44 -13.592 8.679 1.105 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.513 8.189 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.203 9.951 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.792 10.838 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.722 11.675 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.697 10.839 -2.627 1.00 0.00 H new ATOM 682 N PHE A 45 -11.451 9.188 -1.018 1.00 0.00 N ATOM 683 CA PHE A 45 -10.140 9.428 -1.606 1.00 0.00 C ATOM 684 C PHE A 45 -9.660 8.187 -2.378 1.00 0.00 C ATOM 685 O PHE A 45 -8.955 8.301 -3.382 1.00 0.00 O ATOM 686 CB PHE A 45 -9.139 9.840 -0.508 1.00 0.00 C ATOM 687 CG PHE A 45 -7.744 10.118 -0.996 1.00 0.00 C ATOM 688 CD1 PHE A 45 -7.500 11.156 -1.876 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.680 9.339 -0.579 1.00 0.00 C ATOM 690 CE1 PHE A 45 -6.222 11.414 -2.330 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.398 9.593 -1.026 1.00 0.00 C ATOM 692 CZ PHE A 45 -5.170 10.631 -1.902 1.00 0.00 C ATOM 0 H PHE A 45 -11.443 9.136 0.001 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.211 10.248 -2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.518 10.731 -0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -9.096 9.048 0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.320 11.773 -2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.854 8.521 0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.046 12.227 -3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.576 8.979 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.169 10.832 -2.253 1.00 0.00 H new ATOM 702 N VAL A 46 -10.099 7.010 -1.934 1.00 0.00 N ATOM 703 CA VAL A 46 -9.762 5.746 -2.602 1.00 0.00 C ATOM 704 C VAL A 46 -10.354 5.736 -4.015 1.00 0.00 C ATOM 705 O VAL A 46 -9.775 5.175 -4.954 1.00 0.00 O ATOM 706 CB VAL A 46 -10.291 4.517 -1.808 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.858 3.211 -2.459 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.811 4.562 -0.378 1.00 0.00 C ATOM 0 H VAL A 46 -10.692 6.902 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.676 5.673 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.380 4.561 -1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.243 2.371 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.251 3.163 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.769 3.162 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.191 3.694 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.721 4.552 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.173 5.473 0.099 1.00 0.00 H new ATOM 718 N GLY A 47 -11.489 6.391 -4.165 1.00 0.00 N ATOM 719 CA GLY A 47 -12.111 6.492 -5.459 1.00 0.00 C ATOM 720 C GLY A 47 -11.356 7.462 -6.340 1.00 0.00 C ATOM 721 O GLY A 47 -11.124 7.199 -7.520 1.00 0.00 O ATOM 0 H GLY A 47 -11.992 6.856 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.140 5.510 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.144 6.823 -5.347 1.00 0.00 H new ATOM 725 N SER A 48 -10.916 8.554 -5.734 1.00 0.00 N ATOM 726 CA SER A 48 -10.194 9.617 -6.418 1.00 0.00 C ATOM 727 C SER A 48 -8.839 9.138 -6.980 1.00 0.00 C ATOM 728 O SER A 48 -8.363 9.647 -7.988 1.00 0.00 O ATOM 729 CB SER A 48 -9.988 10.768 -5.437 1.00 0.00 C ATOM 730 OG SER A 48 -11.231 11.123 -4.835 1.00 0.00 O ATOM 0 H SER A 48 -11.052 8.730 -4.739 1.00 0.00 H new ATOM 0 HA SER A 48 -10.785 9.944 -7.273 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.272 10.478 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.567 11.629 -5.957 1.00 0.00 H new ATOM 0 HG SER A 48 -11.091 11.861 -4.206 1.00 0.00 H new ATOM 736 N VAL A 49 -8.227 8.158 -6.333 1.00 0.00 N ATOM 737 CA VAL A 49 -6.932 7.666 -6.796 1.00 0.00 C ATOM 738 C VAL A 49 -7.062 6.498 -7.769 1.00 0.00 C ATOM 739 O VAL A 49 -6.064 6.037 -8.325 1.00 0.00 O ATOM 740 CB VAL A 49 -5.967 7.288 -5.635 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.623 8.513 -4.810 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.554 6.195 -4.749 1.00 0.00 C ATOM 0 H VAL A 49 -8.594 7.693 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.491 8.508 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.053 6.896 -6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.947 8.230 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.139 9.255 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.535 8.936 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.852 5.958 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.492 6.542 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.738 5.302 -5.347 1.00 0.00 H new ATOM 752 N ASN A 50 -8.275 6.028 -7.985 1.00 0.00 N ATOM 753 CA ASN A 50 -8.481 4.913 -8.907 1.00 0.00 C ATOM 754 C ASN A 50 -9.309 5.295 -10.111 1.00 0.00 C ATOM 755 O ASN A 50 -9.106 4.762 -11.208 1.00 0.00 O ATOM 756 CB ASN A 50 -9.065 3.665 -8.226 1.00 0.00 C ATOM 757 CG ASN A 50 -8.068 2.949 -7.337 1.00 0.00 C ATOM 758 OD1 ASN A 50 -7.288 2.129 -7.814 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.100 3.209 -6.055 1.00 0.00 N ATOM 0 H ASN A 50 -9.123 6.388 -7.547 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.482 4.654 -9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.930 3.955 -7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.421 2.975 -8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.465 2.725 -5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.760 3.896 -5.690 1.00 0.00 H new ATOM 766 N GLY A 51 -10.229 6.208 -9.928 1.00 0.00 N ATOM 767 CA GLY A 51 -11.056 6.628 -11.018 1.00 0.00 C ATOM 768 C GLY A 51 -12.476 6.171 -10.847 1.00 0.00 C ATOM 769 O GLY A 51 -12.963 5.302 -11.589 1.00 0.00 O ATOM 0 H GLY A 51 -10.420 6.669 -9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.031 7.715 -11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.656 6.232 -11.952 1.00 0.00 H new ATOM 773 N GLY A 52 -13.135 6.687 -9.831 1.00 0.00 N ATOM 774 CA GLY A 52 -14.537 6.391 -9.615 1.00 0.00 C ATOM 775 C GLY A 52 -14.752 5.198 -8.719 1.00 0.00 C ATOM 776 O GLY A 52 -15.561 5.240 -7.782 1.00 0.00 O ATOM 0 H GLY A 52 -12.723 7.314 -9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.024 7.262 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.017 6.209 -10.576 1.00 0.00 H new ATOM 780 N ASN A 53 -14.026 4.151 -8.989 1.00 0.00 N ATOM 781 CA ASN A 53 -14.166 2.901 -8.268 1.00 0.00 C ATOM 782 C ASN A 53 -13.239 2.880 -7.090 1.00 0.00 C ATOM 783 O ASN A 53 -12.209 3.557 -7.088 1.00 0.00 O ATOM 784 CB ASN A 53 -13.866 1.694 -9.172 1.00 0.00 C ATOM 785 CG ASN A 53 -14.794 1.588 -10.364 1.00 0.00 C ATOM 786 OD1 ASN A 53 -15.872 0.994 -10.281 1.00 0.00 O ATOM 787 ND2 ASN A 53 -14.383 2.136 -11.488 1.00 0.00 N ATOM 0 H ASN A 53 -13.314 4.132 -9.719 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.199 2.829 -7.928 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.838 1.762 -9.527 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.939 0.781 -8.582 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.962 2.077 -12.326 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.486 2.620 -11.521 1.00 0.00 H new ATOM 794 N ARG A 54 -13.592 2.121 -6.097 1.00 0.00 N ATOM 795 CA ARG A 54 -12.778 1.987 -4.928 1.00 0.00 C ATOM 796 C ARG A 54 -12.088 0.646 -4.952 1.00 0.00 C ATOM 797 O ARG A 54 -12.596 -0.350 -4.428 1.00 0.00 O ATOM 798 CB ARG A 54 -13.601 2.182 -3.646 1.00 0.00 C ATOM 799 CG ARG A 54 -14.178 3.581 -3.516 1.00 0.00 C ATOM 800 CD ARG A 54 -14.984 3.749 -2.245 1.00 0.00 C ATOM 801 NE ARG A 54 -15.593 5.082 -2.171 1.00 0.00 N ATOM 802 CZ ARG A 54 -16.796 5.359 -1.651 1.00 0.00 C ATOM 803 NH1 ARG A 54 -17.553 4.389 -1.139 1.00 0.00 N ATOM 804 NH2 ARG A 54 -17.246 6.600 -1.669 1.00 0.00 N ATOM 0 H ARG A 54 -14.454 1.576 -6.075 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.020 2.770 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.415 1.457 -3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.971 1.973 -2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.367 4.310 -3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.812 3.793 -4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.763 2.988 -2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.339 3.593 -1.380 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.055 5.863 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.218 3.426 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.468 4.610 -0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.678 7.342 -2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.161 6.816 -1.274 1.00 0.00 H new ATOM 818 N THR A 55 -10.998 0.603 -5.667 1.00 0.00 N ATOM 819 CA THR A 55 -10.203 -0.579 -5.783 1.00 0.00 C ATOM 820 C THR A 55 -9.429 -0.773 -4.495 1.00 0.00 C ATOM 821 O THR A 55 -8.769 0.164 -4.021 1.00 0.00 O ATOM 822 CB THR A 55 -9.227 -0.440 -6.950 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.939 0.083 -8.091 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.654 -1.803 -7.310 1.00 0.00 C ATOM 0 H THR A 55 -10.636 1.400 -6.190 1.00 0.00 H new ATOM 0 HA THR A 55 -10.848 -1.438 -5.965 1.00 0.00 H new ATOM 0 HB THR A 55 -8.415 0.230 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.322 0.178 -8.846 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.959 -1.697 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.128 -2.216 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.464 -2.474 -7.597 1.00 0.00 H new ATOM 832 N VAL A 56 -9.531 -1.965 -3.924 1.00 0.00 N ATOM 833 CA VAL A 56 -8.901 -2.252 -2.673 1.00 0.00 C ATOM 834 C VAL A 56 -7.488 -2.076 -2.414 1.00 0.00 C ATOM 835 O VAL A 56 -7.128 -0.996 -1.954 1.00 0.00 O ATOM 836 CB VAL A 56 -9.714 -2.384 -1.394 1.00 0.00 C ATOM 837 CG1 VAL A 56 -10.252 -1.049 -0.958 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.783 -3.414 -1.522 1.00 0.00 C ATOM 0 H VAL A 56 -10.052 -2.746 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.906 -3.181 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.046 -2.734 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.829 -1.171 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.423 -0.365 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.894 -0.642 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.341 -3.478 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.460 -3.137 -2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.332 -4.382 -1.742 1.00 0.00 H new ATOM 848 N PRO A 57 -6.600 -3.058 -2.674 1.00 0.00 N ATOM 849 CA PRO A 57 -5.296 -2.935 -2.164 1.00 0.00 C ATOM 850 C PRO A 57 -4.425 -1.921 -2.949 1.00 0.00 C ATOM 851 O PRO A 57 -3.622 -2.277 -3.823 1.00 0.00 O ATOM 852 CB PRO A 57 -4.726 -4.334 -2.197 1.00 0.00 C ATOM 853 CG PRO A 57 -5.382 -4.941 -3.391 1.00 0.00 C ATOM 854 CD PRO A 57 -6.756 -4.306 -3.470 1.00 0.00 C ATOM 0 HA PRO A 57 -5.309 -2.527 -1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.640 -4.324 -2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.959 -4.885 -1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.807 -4.745 -4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.456 -6.024 -3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.043 -4.094 -4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.525 -4.956 -3.053 1.00 0.00 H new ATOM 862 N THR A 58 -4.661 -0.699 -2.686 1.00 0.00 N ATOM 863 CA THR A 58 -3.974 0.368 -3.276 1.00 0.00 C ATOM 864 C THR A 58 -2.999 0.889 -2.244 1.00 0.00 C ATOM 865 O THR A 58 -3.357 1.061 -1.074 1.00 0.00 O ATOM 866 CB THR A 58 -4.995 1.453 -3.687 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.029 0.847 -4.499 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.344 2.559 -4.498 1.00 0.00 C ATOM 0 H THR A 58 -5.375 -0.403 -2.020 1.00 0.00 H new ATOM 0 HA THR A 58 -3.432 0.064 -4.172 1.00 0.00 H new ATOM 0 HB THR A 58 -5.408 1.884 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.850 0.758 -3.971 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.094 3.302 -4.768 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.561 3.032 -3.905 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.908 2.138 -5.404 1.00 0.00 H new ATOM 876 N VAL A 59 -1.777 1.054 -2.633 1.00 0.00 N ATOM 877 CA VAL A 59 -0.778 1.530 -1.736 1.00 0.00 C ATOM 878 C VAL A 59 -0.280 2.890 -2.185 1.00 0.00 C ATOM 879 O VAL A 59 -0.020 3.117 -3.370 1.00 0.00 O ATOM 880 CB VAL A 59 0.414 0.527 -1.596 1.00 0.00 C ATOM 881 CG1 VAL A 59 1.055 0.259 -2.927 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.447 1.017 -0.583 1.00 0.00 C ATOM 0 H VAL A 59 -1.445 0.863 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.236 1.622 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 59 0.005 -0.411 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.880 -0.441 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.318 -0.169 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.433 1.193 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.260 0.294 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.844 1.980 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.975 1.128 0.393 1.00 0.00 H new ATOM 892 N LYS A 60 -0.220 3.791 -1.273 1.00 0.00 N ATOM 893 CA LYS A 60 0.330 5.077 -1.524 1.00 0.00 C ATOM 894 C LYS A 60 1.695 5.129 -0.879 1.00 0.00 C ATOM 895 O LYS A 60 1.829 4.917 0.334 1.00 0.00 O ATOM 896 CB LYS A 60 -0.583 6.173 -0.973 1.00 0.00 C ATOM 897 CG LYS A 60 -0.032 7.587 -1.121 1.00 0.00 C ATOM 898 CD LYS A 60 -1.016 8.641 -0.614 1.00 0.00 C ATOM 899 CE LYS A 60 -1.389 8.455 0.860 1.00 0.00 C ATOM 900 NZ LYS A 60 -0.219 8.535 1.773 1.00 0.00 N ATOM 0 H LYS A 60 -0.555 3.657 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 60 0.420 5.248 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.546 6.116 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.768 5.977 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.905 7.671 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.197 7.779 -2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.581 9.631 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.922 8.605 -1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.116 9.216 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.875 7.488 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.031 7.596 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.615 8.855 1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.421 9.209 2.538 1.00 0.00 H new ATOM 914 N PHE A 61 2.697 5.353 -1.688 1.00 0.00 N ATOM 915 CA PHE A 61 4.058 5.428 -1.214 1.00 0.00 C ATOM 916 C PHE A 61 4.403 6.848 -0.839 1.00 0.00 C ATOM 917 O PHE A 61 3.683 7.797 -1.188 1.00 0.00 O ATOM 918 CB PHE A 61 5.050 4.957 -2.293 1.00 0.00 C ATOM 919 CG PHE A 61 5.091 3.478 -2.539 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.182 2.860 -3.382 1.00 0.00 C ATOM 921 CD2 PHE A 61 6.062 2.706 -1.933 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.245 1.497 -3.606 1.00 0.00 C ATOM 923 CE2 PHE A 61 6.128 1.353 -2.157 1.00 0.00 C ATOM 924 CZ PHE A 61 5.217 0.747 -2.993 1.00 0.00 C ATOM 0 H PHE A 61 2.595 5.489 -2.694 1.00 0.00 H new ATOM 0 HA PHE A 61 4.136 4.777 -0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.803 5.456 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.050 5.287 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.418 3.448 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.779 3.173 -1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.530 1.023 -4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.895 0.763 -1.677 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.267 -0.318 -3.166 1.00 0.00 H new ATOM 934 N ALA A 62 5.527 7.004 -0.167 1.00 0.00 N ATOM 935 CA ALA A 62 6.065 8.314 0.191 1.00 0.00 C ATOM 936 C ALA A 62 6.556 9.048 -1.061 1.00 0.00 C ATOM 937 O ALA A 62 6.864 10.237 -1.028 1.00 0.00 O ATOM 938 CB ALA A 62 7.191 8.162 1.197 1.00 0.00 C ATOM 0 H ALA A 62 6.101 6.223 0.151 1.00 0.00 H new ATOM 0 HA ALA A 62 5.272 8.906 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.583 9.146 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.813 7.675 2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.987 7.556 0.764 1.00 0.00 H new ATOM 944 N ASP A 63 6.608 8.312 -2.163 1.00 0.00 N ATOM 945 CA ASP A 63 7.014 8.831 -3.469 1.00 0.00 C ATOM 946 C ASP A 63 5.930 9.764 -4.031 1.00 0.00 C ATOM 947 O ASP A 63 6.192 10.608 -4.897 1.00 0.00 O ATOM 948 CB ASP A 63 7.205 7.641 -4.434 1.00 0.00 C ATOM 949 CG ASP A 63 7.644 8.037 -5.824 1.00 0.00 C ATOM 950 OD1 ASP A 63 6.783 8.295 -6.683 1.00 0.00 O ATOM 951 OD2 ASP A 63 8.875 8.099 -6.076 1.00 0.00 O ATOM 0 H ASP A 63 6.366 7.321 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 63 7.943 9.391 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.944 6.960 -4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.267 7.090 -4.504 1.00 0.00 H new ATOM 956 N GLY A 64 4.730 9.631 -3.497 1.00 0.00 N ATOM 957 CA GLY A 64 3.609 10.424 -3.952 1.00 0.00 C ATOM 958 C GLY A 64 2.739 9.643 -4.906 1.00 0.00 C ATOM 959 O GLY A 64 1.560 9.940 -5.068 1.00 0.00 O ATOM 0 H GLY A 64 4.509 8.978 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.016 10.746 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.974 11.326 -4.444 1.00 0.00 H new ATOM 963 N SER A 65 3.319 8.633 -5.509 1.00 0.00 N ATOM 964 CA SER A 65 2.621 7.789 -6.445 1.00 0.00 C ATOM 965 C SER A 65 1.810 6.725 -5.695 1.00 0.00 C ATOM 966 O SER A 65 2.187 6.307 -4.573 1.00 0.00 O ATOM 967 CB SER A 65 3.640 7.103 -7.364 1.00 0.00 C ATOM 968 OG SER A 65 4.506 8.053 -7.982 1.00 0.00 O ATOM 0 H SER A 65 4.294 8.373 -5.362 1.00 0.00 H new ATOM 0 HA SER A 65 1.940 8.399 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.231 6.391 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.115 6.534 -8.131 1.00 0.00 H new ATOM 0 HG SER A 65 5.204 8.320 -7.348 1.00 0.00 H new ATOM 974 N THR A 66 0.709 6.305 -6.278 1.00 0.00 N ATOM 975 CA THR A 66 -0.084 5.261 -5.712 1.00 0.00 C ATOM 976 C THR A 66 -0.030 4.068 -6.644 1.00 0.00 C ATOM 977 O THR A 66 -0.047 4.226 -7.874 1.00 0.00 O ATOM 978 CB THR A 66 -1.569 5.688 -5.507 1.00 0.00 C ATOM 979 OG1 THR A 66 -2.164 6.057 -6.761 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.676 6.861 -4.544 1.00 0.00 C ATOM 0 H THR A 66 0.348 6.682 -7.154 1.00 0.00 H new ATOM 0 HA THR A 66 0.320 5.018 -4.729 1.00 0.00 H new ATOM 0 HB THR A 66 -2.099 4.834 -5.086 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.957 6.609 -6.597 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.723 7.136 -4.421 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.259 6.577 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.122 7.711 -4.943 1.00 0.00 H new ATOM 988 N LEU A 67 0.072 2.907 -6.090 1.00 0.00 N ATOM 989 CA LEU A 67 0.080 1.706 -6.866 1.00 0.00 C ATOM 990 C LEU A 67 -1.097 0.867 -6.503 1.00 0.00 C ATOM 991 O LEU A 67 -1.237 0.426 -5.355 1.00 0.00 O ATOM 992 CB LEU A 67 1.390 0.905 -6.734 1.00 0.00 C ATOM 993 CG LEU A 67 2.598 1.388 -7.561 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.146 2.744 -7.118 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.681 0.330 -7.596 1.00 0.00 C ATOM 0 H LEU A 67 0.153 2.760 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 67 0.014 1.998 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.680 0.902 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.183 -0.129 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 67 2.232 1.545 -8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.994 3.017 -7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.366 3.500 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.469 2.684 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.524 0.692 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.013 0.116 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.286 -0.580 -8.048 1.00 0.00 H new ATOM 1007 N THR A 68 -1.956 0.679 -7.447 1.00 0.00 N ATOM 1008 CA THR A 68 -3.109 -0.109 -7.247 1.00 0.00 C ATOM 1009 C THR A 68 -2.780 -1.562 -7.548 1.00 0.00 C ATOM 1010 O THR A 68 -2.502 -1.920 -8.694 1.00 0.00 O ATOM 1011 CB THR A 68 -4.235 0.371 -8.164 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.468 1.784 -7.945 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.504 -0.407 -7.892 1.00 0.00 C ATOM 0 H THR A 68 -1.871 1.074 -8.384 1.00 0.00 H new ATOM 0 HA THR A 68 -3.437 -0.017 -6.212 1.00 0.00 H new ATOM 0 HB THR A 68 -3.942 0.207 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.432 1.955 -7.910 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.296 -0.054 -8.552 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.327 -1.467 -8.073 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.805 -0.261 -6.855 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.791 -2.369 -6.502 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.523 -3.810 -6.557 1.00 0.00 C ATOM 1023 C ASN A 69 -1.151 -4.139 -7.228 1.00 0.00 C ATOM 1024 O ASN A 69 -1.101 -4.568 -8.387 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.691 -4.564 -7.257 1.00 0.00 C ATOM 1026 CG ASN A 69 -3.641 -6.087 -7.107 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -2.590 -6.684 -6.931 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -4.784 -6.726 -7.196 1.00 0.00 N ATOM 0 H ASN A 69 -2.992 -2.037 -5.559 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.456 -4.162 -5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.636 -4.202 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.684 -4.315 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.807 -7.743 -7.118 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.649 -6.206 -7.343 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.026 -3.841 -6.560 1.00 0.00 N ATOM 1036 CA PRO A 70 1.301 -4.230 -7.041 1.00 0.00 C ATOM 1037 C PRO A 70 1.729 -5.567 -6.408 1.00 0.00 C ATOM 1038 O PRO A 70 0.949 -6.192 -5.670 1.00 0.00 O ATOM 1039 CB PRO A 70 2.162 -3.103 -6.492 1.00 0.00 C ATOM 1040 CG PRO A 70 1.565 -2.839 -5.150 1.00 0.00 C ATOM 1041 CD PRO A 70 0.072 -3.051 -5.311 1.00 0.00 C ATOM 0 HA PRO A 70 1.362 -4.366 -8.121 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.209 -3.397 -6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.124 -2.220 -7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.977 -3.514 -4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.782 -1.823 -4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.352 -3.587 -4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.463 -2.104 -5.390 1.00 0.00 H new ATOM 1049 N SER A 71 2.929 -6.005 -6.679 1.00 0.00 N ATOM 1050 CA SER A 71 3.424 -7.204 -6.067 1.00 0.00 C ATOM 1051 C SER A 71 4.344 -6.834 -4.896 1.00 0.00 C ATOM 1052 O SER A 71 4.822 -5.694 -4.802 1.00 0.00 O ATOM 1053 CB SER A 71 4.155 -8.062 -7.091 1.00 0.00 C ATOM 1054 OG SER A 71 4.414 -9.367 -6.593 1.00 0.00 O ATOM 0 H SER A 71 3.580 -5.549 -7.319 1.00 0.00 H new ATOM 0 HA SER A 71 2.588 -7.789 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.558 -8.131 -8.000 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.096 -7.583 -7.363 1.00 0.00 H new ATOM 0 HG SER A 71 4.882 -9.891 -7.276 1.00 0.00 H new ATOM 1060 N ALA A 72 4.605 -7.796 -4.032 1.00 0.00 N ATOM 1061 CA ALA A 72 5.382 -7.587 -2.813 1.00 0.00 C ATOM 1062 C ALA A 72 6.818 -7.185 -3.111 1.00 0.00 C ATOM 1063 O ALA A 72 7.363 -6.273 -2.476 1.00 0.00 O ATOM 1064 CB ALA A 72 5.354 -8.838 -1.976 1.00 0.00 C ATOM 0 H ALA A 72 4.283 -8.756 -4.153 1.00 0.00 H new ATOM 0 HA ALA A 72 4.926 -6.764 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.934 -8.681 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.324 -9.076 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.784 -9.664 -2.542 1.00 0.00 H new ATOM 1070 N ASP A 73 7.416 -7.846 -4.095 1.00 0.00 N ATOM 1071 CA ASP A 73 8.798 -7.565 -4.510 1.00 0.00 C ATOM 1072 C ASP A 73 8.938 -6.137 -4.992 1.00 0.00 C ATOM 1073 O ASP A 73 9.945 -5.463 -4.721 1.00 0.00 O ATOM 1074 CB ASP A 73 9.233 -8.522 -5.619 1.00 0.00 C ATOM 1075 CG ASP A 73 10.581 -8.171 -6.207 1.00 0.00 C ATOM 1076 OD1 ASP A 73 11.617 -8.573 -5.635 1.00 0.00 O ATOM 1077 OD2 ASP A 73 10.629 -7.497 -7.264 1.00 0.00 O ATOM 0 H ASP A 73 6.965 -8.589 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 73 9.440 -7.709 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.269 -9.537 -5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.484 -8.516 -6.411 1.00 0.00 H new ATOM 1082 N GLU A 74 7.909 -5.674 -5.667 1.00 0.00 N ATOM 1083 CA GLU A 74 7.885 -4.343 -6.215 1.00 0.00 C ATOM 1084 C GLU A 74 7.786 -3.335 -5.103 1.00 0.00 C ATOM 1085 O GLU A 74 8.461 -2.322 -5.132 1.00 0.00 O ATOM 1086 CB GLU A 74 6.729 -4.185 -7.172 1.00 0.00 C ATOM 1087 CG GLU A 74 6.728 -5.210 -8.275 1.00 0.00 C ATOM 1088 CD GLU A 74 5.591 -5.021 -9.210 1.00 0.00 C ATOM 1089 OE1 GLU A 74 4.438 -5.234 -8.800 1.00 0.00 O ATOM 1090 OE2 GLU A 74 5.830 -4.675 -10.384 1.00 0.00 O ATOM 0 H GLU A 74 7.064 -6.215 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 74 8.810 -4.173 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.794 -4.257 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.763 -3.188 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.666 -5.149 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.678 -6.209 -7.841 1.00 0.00 H new ATOM 1097 N VAL A 75 6.959 -3.634 -4.102 1.00 0.00 N ATOM 1098 CA VAL A 75 6.823 -2.757 -2.943 1.00 0.00 C ATOM 1099 C VAL A 75 8.174 -2.604 -2.254 1.00 0.00 C ATOM 1100 O VAL A 75 8.571 -1.506 -1.906 1.00 0.00 O ATOM 1101 CB VAL A 75 5.754 -3.275 -1.928 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.659 -2.357 -0.710 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.396 -3.390 -2.599 1.00 0.00 C ATOM 0 H VAL A 75 6.377 -4.471 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 75 6.479 -1.787 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 75 6.067 -4.262 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.907 -2.743 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.625 -2.318 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.376 -1.354 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.663 -3.752 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.089 -2.412 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.460 -4.089 -3.433 1.00 0.00 H new ATOM 1113 N LYS A 76 8.887 -3.706 -2.132 1.00 0.00 N ATOM 1114 CA LYS A 76 10.221 -3.727 -1.546 1.00 0.00 C ATOM 1115 C LYS A 76 11.203 -2.843 -2.368 1.00 0.00 C ATOM 1116 O LYS A 76 11.941 -2.033 -1.806 1.00 0.00 O ATOM 1117 CB LYS A 76 10.710 -5.185 -1.469 1.00 0.00 C ATOM 1118 CG LYS A 76 12.117 -5.392 -0.927 1.00 0.00 C ATOM 1119 CD LYS A 76 12.494 -6.871 -0.977 1.00 0.00 C ATOM 1120 CE LYS A 76 13.902 -7.137 -0.458 1.00 0.00 C ATOM 1121 NZ LYS A 76 14.048 -6.823 0.974 1.00 0.00 N ATOM 0 H LYS A 76 8.558 -4.622 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 76 10.183 -3.310 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.016 -5.747 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.661 -5.617 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.828 -4.809 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.175 -5.030 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.779 -7.444 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.417 -7.227 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.154 -8.184 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.614 -6.543 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.991 -7.116 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.935 -5.799 1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.321 -7.332 1.517 1.00 0.00 H new ATOM 1135 N ALA A 77 11.144 -2.956 -3.690 1.00 0.00 N ATOM 1136 CA ALA A 77 12.045 -2.206 -4.581 1.00 0.00 C ATOM 1137 C ALA A 77 11.655 -0.723 -4.688 1.00 0.00 C ATOM 1138 O ALA A 77 12.473 0.126 -5.037 1.00 0.00 O ATOM 1139 CB ALA A 77 12.090 -2.850 -5.957 1.00 0.00 C ATOM 0 H ALA A 77 10.482 -3.560 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 77 13.041 -2.244 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.761 -2.283 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.452 -3.874 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.089 -2.856 -6.389 1.00 0.00 H new ATOM 1145 N LYS A 78 10.414 -0.417 -4.439 1.00 0.00 N ATOM 1146 CA LYS A 78 9.975 0.971 -4.405 1.00 0.00 C ATOM 1147 C LYS A 78 10.238 1.544 -3.027 1.00 0.00 C ATOM 1148 O LYS A 78 10.420 2.743 -2.864 1.00 0.00 O ATOM 1149 CB LYS A 78 8.494 1.076 -4.753 1.00 0.00 C ATOM 1150 CG LYS A 78 8.131 0.591 -6.147 1.00 0.00 C ATOM 1151 CD LYS A 78 8.632 1.511 -7.248 1.00 0.00 C ATOM 1152 CE LYS A 78 8.279 0.944 -8.616 1.00 0.00 C ATOM 1153 NZ LYS A 78 8.668 1.844 -9.720 1.00 0.00 N ATOM 0 H LYS A 78 9.680 -1.101 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 78 10.534 1.542 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.922 0.502 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.185 2.116 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.546 -0.406 -6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.047 0.500 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.190 2.501 -7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.712 1.633 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.774 -0.019 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.206 0.760 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.406 1.412 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.177 2.755 -9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.696 2.000 -9.695 1.00 0.00 H new ATOM 1167 N LEU A 79 10.288 0.674 -2.041 1.00 0.00 N ATOM 1168 CA LEU A 79 10.531 1.077 -0.674 1.00 0.00 C ATOM 1169 C LEU A 79 11.962 1.569 -0.539 1.00 0.00 C ATOM 1170 O LEU A 79 12.233 2.577 0.127 1.00 0.00 O ATOM 1171 CB LEU A 79 10.304 -0.087 0.301 1.00 0.00 C ATOM 1172 CG LEU A 79 10.317 0.248 1.794 1.00 0.00 C ATOM 1173 CD1 LEU A 79 9.091 1.045 2.203 1.00 0.00 C ATOM 1174 CD2 LEU A 79 10.463 -1.002 2.637 1.00 0.00 C ATOM 0 H LEU A 79 10.162 -0.331 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 79 9.831 1.875 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.344 -0.545 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.071 -0.839 0.115 1.00 0.00 H new ATOM 0 HG LEU A 79 11.189 0.877 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.138 1.263 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.061 1.980 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.193 0.466 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.469 -0.730 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.627 -1.674 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.398 -1.503 2.386 1.00 0.00 H new ATOM 1186 N VAL A 80 12.870 0.869 -1.193 1.00 0.00 N ATOM 1187 CA VAL A 80 14.278 1.203 -1.135 1.00 0.00 C ATOM 1188 C VAL A 80 14.568 2.597 -1.694 1.00 0.00 C ATOM 1189 O VAL A 80 15.430 3.289 -1.194 1.00 0.00 O ATOM 1190 CB VAL A 80 15.196 0.126 -1.792 1.00 0.00 C ATOM 1191 CG1 VAL A 80 15.027 -1.216 -1.111 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.970 -0.001 -3.284 1.00 0.00 C ATOM 0 H VAL A 80 12.654 0.059 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 80 14.527 1.215 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 80 16.223 0.464 -1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.677 -1.950 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.292 -1.125 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.990 -1.540 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.635 -0.764 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.935 -0.285 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.178 0.954 -3.766 1.00 0.00 H new ATOM 1202 N LYS A 81 13.807 3.027 -2.692 1.00 0.00 N ATOM 1203 CA LYS A 81 14.037 4.346 -3.254 1.00 0.00 C ATOM 1204 C LYS A 81 13.386 5.431 -2.395 1.00 0.00 C ATOM 1205 O LYS A 81 13.864 6.556 -2.333 1.00 0.00 O ATOM 1206 CB LYS A 81 13.537 4.461 -4.711 1.00 0.00 C ATOM 1207 CG LYS A 81 12.019 4.408 -4.874 1.00 0.00 C ATOM 1208 CD LYS A 81 11.566 4.574 -6.323 1.00 0.00 C ATOM 1209 CE LYS A 81 11.978 5.926 -6.915 1.00 0.00 C ATOM 1210 NZ LYS A 81 11.399 7.096 -6.189 1.00 0.00 N ATOM 0 H LYS A 81 13.046 2.497 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 81 15.117 4.494 -3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.901 5.398 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.979 3.655 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.652 3.456 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.567 5.192 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.990 3.772 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.482 4.473 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.065 6.003 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.667 5.966 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.744 7.977 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.361 7.064 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.688 7.062 -5.190 1.00 0.00 H new ATOM 1224 N ILE A 82 12.287 5.096 -1.732 1.00 0.00 N ATOM 1225 CA ILE A 82 11.560 6.098 -0.986 1.00 0.00 C ATOM 1226 C ILE A 82 12.121 6.289 0.424 1.00 0.00 C ATOM 1227 O ILE A 82 12.061 7.392 0.990 1.00 0.00 O ATOM 1228 CB ILE A 82 9.991 5.877 -1.010 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.513 4.643 -0.213 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.499 5.766 -2.443 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.303 4.885 1.271 1.00 0.00 C ATOM 0 H ILE A 82 11.891 4.157 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 82 11.720 7.042 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 82 9.565 6.751 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.577 4.289 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.243 3.843 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.420 5.614 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.738 6.683 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.986 4.921 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.968 3.963 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.241 5.206 1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.549 5.660 1.410 1.00 0.00 H new ATOM 1243 N ALA A 83 12.635 5.227 0.988 1.00 0.00 N ATOM 1244 CA ALA A 83 13.215 5.281 2.302 1.00 0.00 C ATOM 1245 C ALA A 83 14.723 5.334 2.210 1.00 0.00 C ATOM 1246 O ALA A 83 15.346 6.320 2.589 1.00 0.00 O ATOM 1247 CB ALA A 83 12.775 4.087 3.128 1.00 0.00 C ATOM 0 H ALA A 83 12.663 4.306 0.551 1.00 0.00 H new ATOM 0 HA ALA A 83 12.866 6.188 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.224 4.145 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.689 4.089 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.095 3.168 2.638 1.00 0.00 H new