USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 656 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 28 MET CE :methyl -146:sc= -0.627 (180deg=-1.02) USER MOD Set 1.2: A 33 SER OG : rot -170:sc= -0.604 USER MOD Set 2.1: A 16 ASN : amide:sc= -1.98 X(o=-2,f=-1.7) USER MOD Set 2.2: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.00179 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 107:sc= 0.13 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.23 K(o=-2.2,f=-5.9!) USER MOD Single : A 45 GLN : amide:sc= -2.35 K(o=-2.3,f=-6.1!) USER MOD Single : A 47 CYS SG : rot -58:sc= 0.3 USER MOD Single : A 48 CYS SG : rot 8:sc= -4.44! USER MOD Single : A 51 TYR OH : rot -140:sc= -2.21 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -160:sc= -0.232 USER MOD Single : A 65 THR OG1 : rot -108:sc= -5.72! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.740 -4.889 8.140 1.00 0.00 N ATOM 2 CA GLY A 1 23.783 -3.600 8.808 1.00 0.00 C ATOM 3 C GLY A 1 24.083 -2.477 7.813 1.00 0.00 C ATOM 4 O GLY A 1 24.992 -2.595 6.993 1.00 0.00 O ATOM 0 H1 GLY A 1 24.073 -5.629 8.791 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.763 -5.097 7.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.353 -4.865 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.829 -3.409 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.546 -3.615 9.586 1.00 0.00 H new ATOM 8 N SER A 2 23.302 -1.412 7.918 1.00 0.00 N ATOM 9 CA SER A 2 23.472 -0.269 7.038 1.00 0.00 C ATOM 10 C SER A 2 23.475 -0.728 5.579 1.00 0.00 C ATOM 11 O SER A 2 24.533 -0.998 5.012 1.00 0.00 O ATOM 12 CB SER A 2 24.763 0.487 7.360 1.00 0.00 C ATOM 13 OG SER A 2 24.563 1.897 7.391 1.00 0.00 O ATOM 0 H SER A 2 22.549 -1.317 8.600 1.00 0.00 H new ATOM 0 HA SER A 2 22.636 0.412 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.147 0.154 8.324 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.520 0.245 6.615 1.00 0.00 H new ATOM 0 HG SER A 2 25.410 2.343 7.601 1.00 0.00 H new ATOM 19 N SER A 3 22.280 -0.802 5.012 1.00 0.00 N ATOM 20 CA SER A 3 22.132 -1.223 3.629 1.00 0.00 C ATOM 21 C SER A 3 21.038 -0.401 2.946 1.00 0.00 C ATOM 22 O SER A 3 20.174 0.165 3.613 1.00 0.00 O ATOM 23 CB SER A 3 21.807 -2.716 3.541 1.00 0.00 C ATOM 24 OG SER A 3 22.157 -3.264 2.272 1.00 0.00 O ATOM 0 H SER A 3 21.405 -0.577 5.485 1.00 0.00 H new ATOM 0 HA SER A 3 23.079 -1.053 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.341 -3.250 4.327 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.742 -2.867 3.720 1.00 0.00 H new ATOM 0 HG SER A 3 21.936 -4.219 2.256 1.00 0.00 H new ATOM 30 N GLY A 4 21.112 -0.361 1.623 1.00 0.00 N ATOM 31 CA GLY A 4 20.138 0.383 0.842 1.00 0.00 C ATOM 32 C GLY A 4 19.028 -0.536 0.331 1.00 0.00 C ATOM 33 O GLY A 4 19.249 -1.728 0.124 1.00 0.00 O ATOM 0 H GLY A 4 21.831 -0.831 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.706 1.176 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.634 0.864 -0.001 1.00 0.00 H new ATOM 37 N SER A 5 17.856 0.053 0.141 1.00 0.00 N ATOM 38 CA SER A 5 16.710 -0.698 -0.343 1.00 0.00 C ATOM 39 C SER A 5 17.121 -1.574 -1.528 1.00 0.00 C ATOM 40 O SER A 5 17.618 -1.070 -2.533 1.00 0.00 O ATOM 41 CB SER A 5 15.568 0.237 -0.744 1.00 0.00 C ATOM 42 OG SER A 5 14.817 0.679 0.384 1.00 0.00 O ATOM 0 H SER A 5 17.676 1.042 0.314 1.00 0.00 H new ATOM 0 HA SER A 5 16.353 -1.336 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.975 1.101 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.906 -0.277 -1.441 1.00 0.00 H new ATOM 0 HG SER A 5 14.099 1.275 0.086 1.00 0.00 H new ATOM 48 N SER A 6 16.897 -2.870 -1.370 1.00 0.00 N ATOM 49 CA SER A 6 17.237 -3.821 -2.415 1.00 0.00 C ATOM 50 C SER A 6 16.898 -5.242 -1.960 1.00 0.00 C ATOM 51 O SER A 6 17.675 -5.869 -1.241 1.00 0.00 O ATOM 52 CB SER A 6 18.718 -3.722 -2.788 1.00 0.00 C ATOM 53 OG SER A 6 19.116 -4.766 -3.673 1.00 0.00 O ATOM 0 H SER A 6 16.484 -3.284 -0.534 1.00 0.00 H new ATOM 0 HA SER A 6 16.650 -3.581 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.910 -2.757 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.324 -3.763 -1.883 1.00 0.00 H new ATOM 0 HG SER A 6 20.067 -4.667 -3.889 1.00 0.00 H new ATOM 59 N GLY A 7 15.738 -5.708 -2.397 1.00 0.00 N ATOM 60 CA GLY A 7 15.287 -7.044 -2.044 1.00 0.00 C ATOM 61 C GLY A 7 14.314 -6.999 -0.864 1.00 0.00 C ATOM 62 O GLY A 7 13.112 -7.194 -1.038 1.00 0.00 O ATOM 0 H GLY A 7 15.096 -5.185 -2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.801 -7.507 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.145 -7.666 -1.789 1.00 0.00 H new ATOM 66 N GLY A 8 14.870 -6.742 0.311 1.00 0.00 N ATOM 67 CA GLY A 8 14.067 -6.670 1.520 1.00 0.00 C ATOM 68 C GLY A 8 13.203 -5.407 1.529 1.00 0.00 C ATOM 69 O GLY A 8 13.307 -4.586 2.438 1.00 0.00 O ATOM 0 H GLY A 8 15.867 -6.581 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.430 -7.552 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.718 -6.676 2.394 1.00 0.00 H new ATOM 73 N THR A 9 12.369 -5.292 0.506 1.00 0.00 N ATOM 74 CA THR A 9 11.487 -4.144 0.385 1.00 0.00 C ATOM 75 C THR A 9 10.202 -4.533 -0.349 1.00 0.00 C ATOM 76 O THR A 9 10.080 -5.653 -0.843 1.00 0.00 O ATOM 77 CB THR A 9 12.264 -3.022 -0.306 1.00 0.00 C ATOM 78 OG1 THR A 9 12.910 -3.668 -1.399 1.00 0.00 O ATOM 79 CG2 THR A 9 13.418 -2.496 0.550 1.00 0.00 C ATOM 0 H THR A 9 12.286 -5.975 -0.247 1.00 0.00 H new ATOM 0 HA THR A 9 11.169 -3.785 1.364 1.00 0.00 H new ATOM 0 HB THR A 9 11.585 -2.203 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.435 -3.012 -1.903 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.936 -1.702 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.026 -2.104 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.115 -3.307 0.759 1.00 0.00 H new ATOM 87 N VAL A 10 9.275 -3.587 -0.396 1.00 0.00 N ATOM 88 CA VAL A 10 8.004 -3.817 -1.060 1.00 0.00 C ATOM 89 C VAL A 10 7.619 -2.572 -1.862 1.00 0.00 C ATOM 90 O VAL A 10 7.841 -1.448 -1.413 1.00 0.00 O ATOM 91 CB VAL A 10 6.942 -4.219 -0.034 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.586 -4.439 -0.706 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.376 -5.461 0.746 1.00 0.00 C ATOM 0 H VAL A 10 9.379 -2.659 0.015 1.00 0.00 H new ATOM 0 HA VAL A 10 8.086 -4.645 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 10 6.834 -3.399 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.849 -4.724 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.268 -3.518 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.672 -5.232 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.604 -5.725 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.526 -6.291 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.308 -5.253 1.271 1.00 0.00 H new ATOM 103 N LYS A 11 7.051 -2.814 -3.034 1.00 0.00 N ATOM 104 CA LYS A 11 6.634 -1.726 -3.902 1.00 0.00 C ATOM 105 C LYS A 11 5.231 -1.266 -3.498 1.00 0.00 C ATOM 106 O LYS A 11 4.304 -2.072 -3.436 1.00 0.00 O ATOM 107 CB LYS A 11 6.746 -2.139 -5.371 1.00 0.00 C ATOM 108 CG LYS A 11 8.211 -2.297 -5.785 1.00 0.00 C ATOM 109 CD LYS A 11 8.384 -3.470 -6.752 1.00 0.00 C ATOM 110 CE LYS A 11 9.843 -3.930 -6.800 1.00 0.00 C ATOM 111 NZ LYS A 11 10.067 -4.822 -7.959 1.00 0.00 N ATOM 0 H LYS A 11 6.870 -3.748 -3.403 1.00 0.00 H new ATOM 0 HA LYS A 11 7.298 -0.869 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.216 -3.078 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.265 -1.391 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.561 -1.378 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.827 -2.456 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.748 -4.299 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.059 -3.175 -7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.502 -3.064 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.096 -4.452 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.062 -5.125 -7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.452 -5.657 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.845 -4.312 -8.838 1.00 0.00 H new ATOM 125 N VAL A 12 5.120 0.028 -3.235 1.00 0.00 N ATOM 126 CA VAL A 12 3.847 0.604 -2.839 1.00 0.00 C ATOM 127 C VAL A 12 3.335 1.515 -3.957 1.00 0.00 C ATOM 128 O VAL A 12 3.930 2.554 -4.238 1.00 0.00 O ATOM 129 CB VAL A 12 3.994 1.328 -1.499 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.806 2.258 -1.245 1.00 0.00 C ATOM 131 CG2 VAL A 12 4.164 0.329 -0.352 1.00 0.00 C ATOM 0 H VAL A 12 5.891 0.693 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 12 3.103 -0.179 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 12 4.894 1.941 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.935 2.760 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.750 3.002 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.885 1.675 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.266 0.869 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.291 -0.322 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.056 -0.273 -0.523 1.00 0.00 H new ATOM 141 N TYR A 13 2.236 1.091 -4.564 1.00 0.00 N ATOM 142 CA TYR A 13 1.637 1.856 -5.645 1.00 0.00 C ATOM 143 C TYR A 13 0.731 2.961 -5.099 1.00 0.00 C ATOM 144 O TYR A 13 -0.297 2.680 -4.486 1.00 0.00 O ATOM 145 CB TYR A 13 0.787 0.864 -6.442 1.00 0.00 C ATOM 146 CG TYR A 13 1.595 -0.043 -7.372 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.594 0.492 -8.161 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.327 -1.395 -7.421 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.355 -0.361 -9.036 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.088 -2.249 -8.296 1.00 0.00 C ATOM 151 CZ TYR A 13 3.065 -1.690 -9.060 1.00 0.00 C ATOM 152 OH TYR A 13 3.784 -2.496 -9.887 1.00 0.00 O ATOM 0 H TYR A 13 1.745 0.229 -4.328 1.00 0.00 H new ATOM 0 HA TYR A 13 2.408 2.330 -6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.223 0.243 -5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.060 1.419 -7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.804 1.551 -8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.546 -1.813 -6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.138 0.045 -9.659 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.888 -3.309 -8.345 1.00 0.00 H new ATOM 0 HH TYR A 13 4.397 -3.046 -9.356 1.00 0.00 H new ATOM 162 N LEU A 14 1.148 4.196 -5.340 1.00 0.00 N ATOM 163 CA LEU A 14 0.387 5.345 -4.880 1.00 0.00 C ATOM 164 C LEU A 14 -0.656 5.718 -5.936 1.00 0.00 C ATOM 165 O LEU A 14 -0.516 5.361 -7.105 1.00 0.00 O ATOM 166 CB LEU A 14 1.326 6.496 -4.511 1.00 0.00 C ATOM 167 CG LEU A 14 1.835 6.510 -3.068 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.096 7.366 -2.940 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.736 6.959 -2.103 1.00 0.00 C ATOM 0 H LEU A 14 2.003 4.425 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.156 5.101 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.187 6.465 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.809 7.436 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 14 2.108 5.492 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.437 7.359 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.878 6.960 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.873 8.389 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.124 6.960 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.408 7.964 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.108 6.273 -2.169 1.00 0.00 H new ATOM 181 N PRO A 15 -1.706 6.449 -5.474 1.00 0.00 N ATOM 182 CA PRO A 15 -2.772 6.873 -6.366 1.00 0.00 C ATOM 183 C PRO A 15 -2.314 8.029 -7.257 1.00 0.00 C ATOM 184 O PRO A 15 -2.757 9.164 -7.085 1.00 0.00 O ATOM 185 CB PRO A 15 -3.924 7.250 -5.449 1.00 0.00 C ATOM 186 CG PRO A 15 -3.311 7.466 -4.076 1.00 0.00 C ATOM 187 CD PRO A 15 -1.905 6.889 -4.097 1.00 0.00 C ATOM 0 HA PRO A 15 -3.074 6.091 -7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.423 8.153 -5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.675 6.461 -5.421 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.284 8.528 -3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.912 6.978 -3.309 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.166 7.637 -3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.807 6.059 -3.398 1.00 0.00 H new ATOM 195 N ASN A 16 -1.432 7.702 -8.190 1.00 0.00 N ATOM 196 CA ASN A 16 -0.909 8.699 -9.109 1.00 0.00 C ATOM 197 C ASN A 16 0.178 8.064 -9.979 1.00 0.00 C ATOM 198 O ASN A 16 1.280 8.599 -10.090 1.00 0.00 O ATOM 199 CB ASN A 16 -0.284 9.871 -8.351 1.00 0.00 C ATOM 200 CG ASN A 16 -0.539 11.193 -9.078 1.00 0.00 C ATOM 201 OD1 ASN A 16 -0.113 11.406 -10.201 1.00 0.00 O ATOM 202 ND2 ASN A 16 -1.257 12.066 -8.377 1.00 0.00 N ATOM 0 H ASN A 16 -1.066 6.760 -8.329 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.736 9.064 -9.718 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.698 9.920 -7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.789 9.710 -8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.482 12.978 -8.775 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.583 11.824 -7.441 1.00 0.00 H new ATOM 209 N LYS A 17 -0.170 6.932 -10.572 1.00 0.00 N ATOM 210 CA LYS A 17 0.763 6.219 -11.429 1.00 0.00 C ATOM 211 C LYS A 17 2.167 6.301 -10.827 1.00 0.00 C ATOM 212 O LYS A 17 3.159 6.305 -11.554 1.00 0.00 O ATOM 213 CB LYS A 17 0.678 6.740 -12.865 1.00 0.00 C ATOM 214 CG LYS A 17 1.695 7.858 -13.103 1.00 0.00 C ATOM 215 CD LYS A 17 1.226 8.798 -14.216 1.00 0.00 C ATOM 216 CE LYS A 17 0.553 10.043 -13.635 1.00 0.00 C ATOM 217 NZ LYS A 17 1.570 11.014 -13.174 1.00 0.00 N ATOM 0 H LYS A 17 -1.085 6.491 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 17 0.500 5.163 -11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.860 5.923 -13.563 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.328 7.110 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.842 8.423 -12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.660 7.426 -13.369 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.077 9.093 -14.830 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.528 8.274 -14.869 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.084 10.505 -14.389 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.092 9.760 -12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.096 11.853 -12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.161 10.575 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.169 11.297 -13.976 1.00 0.00 H new ATOM 231 N GLN A 18 2.206 6.365 -9.504 1.00 0.00 N ATOM 232 CA GLN A 18 3.472 6.447 -8.796 1.00 0.00 C ATOM 233 C GLN A 18 3.646 5.236 -7.877 1.00 0.00 C ATOM 234 O GLN A 18 2.669 4.582 -7.515 1.00 0.00 O ATOM 235 CB GLN A 18 3.575 7.754 -8.006 1.00 0.00 C ATOM 236 CG GLN A 18 4.077 8.894 -8.895 1.00 0.00 C ATOM 237 CD GLN A 18 5.051 9.795 -8.132 1.00 0.00 C ATOM 238 OE1 GLN A 18 4.840 10.148 -6.984 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.125 10.146 -8.834 1.00 0.00 N ATOM 0 H GLN A 18 1.381 6.362 -8.904 1.00 0.00 H new ATOM 0 HA GLN A 18 4.277 6.440 -9.530 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.599 8.012 -7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.252 7.621 -7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.570 8.483 -9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.231 9.484 -9.249 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.239 9.814 -9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.835 10.747 -8.414 1.00 0.00 H new ATOM 248 N ARG A 19 4.897 4.974 -7.527 1.00 0.00 N ATOM 249 CA ARG A 19 5.211 3.853 -6.657 1.00 0.00 C ATOM 250 C ARG A 19 6.390 4.202 -5.747 1.00 0.00 C ATOM 251 O ARG A 19 7.250 5.000 -6.117 1.00 0.00 O ATOM 252 CB ARG A 19 5.556 2.605 -7.471 1.00 0.00 C ATOM 253 CG ARG A 19 6.684 2.892 -8.465 1.00 0.00 C ATOM 254 CD ARG A 19 6.977 1.665 -9.331 1.00 0.00 C ATOM 255 NE ARG A 19 7.100 2.066 -10.750 1.00 0.00 N ATOM 256 CZ ARG A 19 7.036 1.211 -11.780 1.00 0.00 C ATOM 257 NH1 ARG A 19 6.850 -0.097 -11.555 1.00 0.00 N ATOM 258 NH2 ARG A 19 7.158 1.664 -13.036 1.00 0.00 N ATOM 0 H ARG A 19 5.705 5.518 -7.830 1.00 0.00 H new ATOM 0 HA ARG A 19 4.329 3.646 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.854 1.800 -6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.672 2.261 -8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.408 3.733 -9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.585 3.183 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.898 1.186 -8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.178 0.932 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 19 7.242 3.055 -10.957 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.757 -0.442 -10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.801 -0.748 -12.339 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.300 2.659 -13.208 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.109 1.013 -13.820 1.00 0.00 H new ATOM 272 N THR A 20 6.393 3.587 -4.574 1.00 0.00 N ATOM 273 CA THR A 20 7.452 3.823 -3.607 1.00 0.00 C ATOM 274 C THR A 20 7.830 2.519 -2.901 1.00 0.00 C ATOM 275 O THR A 20 6.962 1.810 -2.394 1.00 0.00 O ATOM 276 CB THR A 20 6.983 4.919 -2.649 1.00 0.00 C ATOM 277 OG1 THR A 20 8.185 5.392 -2.048 1.00 0.00 O ATOM 278 CG2 THR A 20 6.173 4.364 -1.476 1.00 0.00 C ATOM 0 H THR A 20 5.679 2.925 -4.271 1.00 0.00 H new ATOM 0 HA THR A 20 8.364 4.167 -4.095 1.00 0.00 H new ATOM 0 HB THR A 20 6.380 5.645 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.973 6.107 -1.412 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.865 5.183 -0.827 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.290 3.849 -1.855 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.786 3.663 -0.909 1.00 0.00 H new ATOM 286 N VAL A 21 9.125 2.242 -2.892 1.00 0.00 N ATOM 287 CA VAL A 21 9.628 1.036 -2.256 1.00 0.00 C ATOM 288 C VAL A 21 9.809 1.291 -0.759 1.00 0.00 C ATOM 289 O VAL A 21 10.442 2.269 -0.364 1.00 0.00 O ATOM 290 CB VAL A 21 10.916 0.579 -2.945 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.166 -0.911 -2.707 1.00 0.00 C ATOM 292 CG2 VAL A 21 10.880 0.897 -4.441 1.00 0.00 C ATOM 0 H VAL A 21 9.842 2.832 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 21 8.912 0.221 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 21 11.746 1.132 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.087 -1.210 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.257 -1.098 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.332 -1.488 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.807 0.562 -4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.036 0.384 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.771 1.972 -4.582 1.00 0.00 H new ATOM 302 N VAL A 22 9.243 0.394 0.035 1.00 0.00 N ATOM 303 CA VAL A 22 9.334 0.510 1.480 1.00 0.00 C ATOM 304 C VAL A 22 10.064 -0.712 2.041 1.00 0.00 C ATOM 305 O VAL A 22 10.091 -1.767 1.408 1.00 0.00 O ATOM 306 CB VAL A 22 7.939 0.700 2.079 1.00 0.00 C ATOM 307 CG1 VAL A 22 8.022 1.011 3.575 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.166 1.790 1.334 1.00 0.00 C ATOM 0 H VAL A 22 8.719 -0.417 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 22 9.914 1.390 1.756 1.00 0.00 H new ATOM 0 HB VAL A 22 7.394 -0.237 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.017 1.141 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.514 0.187 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.594 1.927 3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.178 1.905 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.708 2.733 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.061 1.510 0.286 1.00 0.00 H new ATOM 318 N THR A 23 10.637 -0.530 3.221 1.00 0.00 N ATOM 319 CA THR A 23 11.365 -1.604 3.874 1.00 0.00 C ATOM 320 C THR A 23 10.401 -2.515 4.636 1.00 0.00 C ATOM 321 O THR A 23 9.421 -2.045 5.212 1.00 0.00 O ATOM 322 CB THR A 23 12.440 -0.976 4.763 1.00 0.00 C ATOM 323 OG1 THR A 23 13.134 -0.086 3.893 1.00 0.00 O ATOM 324 CG2 THR A 23 13.507 -1.984 5.194 1.00 0.00 C ATOM 0 H THR A 23 10.612 0.346 3.742 1.00 0.00 H new ATOM 0 HA THR A 23 11.861 -2.245 3.145 1.00 0.00 H new ATOM 0 HB THR A 23 11.972 -0.544 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.848 0.366 4.389 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.245 -1.486 5.823 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.038 -2.792 5.755 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.999 -2.393 4.311 1.00 0.00 H new ATOM 332 N VAL A 24 10.714 -3.803 4.617 1.00 0.00 N ATOM 333 CA VAL A 24 9.887 -4.784 5.299 1.00 0.00 C ATOM 334 C VAL A 24 10.422 -4.997 6.717 1.00 0.00 C ATOM 335 O VAL A 24 11.491 -5.579 6.900 1.00 0.00 O ATOM 336 CB VAL A 24 9.826 -6.076 4.482 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.554 -6.864 4.797 1.00 0.00 C ATOM 338 CG2 VAL A 24 9.934 -5.783 2.985 1.00 0.00 C ATOM 0 H VAL A 24 11.529 -4.189 4.140 1.00 0.00 H new ATOM 0 HA VAL A 24 8.862 -4.424 5.389 1.00 0.00 H new ATOM 0 HB VAL A 24 10.680 -6.692 4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.536 -7.778 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.537 -7.120 5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.681 -6.257 4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.888 -6.718 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.110 -5.138 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.881 -5.284 2.779 1.00 0.00 H new ATOM 348 N ARG A 25 9.655 -4.514 7.683 1.00 0.00 N ATOM 349 CA ARG A 25 10.039 -4.645 9.079 1.00 0.00 C ATOM 350 C ARG A 25 9.054 -5.554 9.817 1.00 0.00 C ATOM 351 O ARG A 25 7.898 -5.186 10.022 1.00 0.00 O ATOM 352 CB ARG A 25 10.079 -3.280 9.769 1.00 0.00 C ATOM 353 CG ARG A 25 10.931 -2.289 8.975 1.00 0.00 C ATOM 354 CD ARG A 25 11.677 -1.334 9.910 1.00 0.00 C ATOM 355 NE ARG A 25 12.591 -2.098 10.788 1.00 0.00 N ATOM 356 CZ ARG A 25 13.530 -1.538 11.563 1.00 0.00 C ATOM 357 NH1 ARG A 25 13.685 -0.207 11.573 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.314 -2.309 12.328 1.00 0.00 N ATOM 0 H ARG A 25 8.770 -4.032 7.527 1.00 0.00 H new ATOM 0 HA ARG A 25 11.036 -5.084 9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.066 -2.892 9.874 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.484 -3.389 10.775 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.647 -2.832 8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.295 -1.718 8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.243 -0.608 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.964 -0.772 10.514 1.00 0.00 H new ATOM 0 HE ARG A 25 12.501 -3.114 10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.088 0.380 10.991 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.400 0.219 12.163 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.196 -3.322 12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.029 -1.883 12.918 1.00 0.00 H new ATOM 372 N ASP A 26 9.548 -6.723 10.197 1.00 0.00 N ATOM 373 CA ASP A 26 8.726 -7.687 10.908 1.00 0.00 C ATOM 374 C ASP A 26 8.475 -7.185 12.331 1.00 0.00 C ATOM 375 O ASP A 26 8.906 -7.811 13.299 1.00 0.00 O ATOM 376 CB ASP A 26 9.426 -9.045 11.002 1.00 0.00 C ATOM 377 CG ASP A 26 10.860 -8.998 11.532 1.00 0.00 C ATOM 378 OD1 ASP A 26 11.760 -8.722 10.710 1.00 0.00 O ATOM 379 OD2 ASP A 26 11.024 -9.239 12.748 1.00 0.00 O ATOM 0 H ASP A 26 10.507 -7.024 10.026 1.00 0.00 H new ATOM 0 HA ASP A 26 7.790 -7.801 10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.837 -9.696 11.648 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.435 -9.501 10.012 1.00 0.00 H new ATOM 384 N GLY A 27 7.778 -6.062 12.414 1.00 0.00 N ATOM 385 CA GLY A 27 7.465 -5.469 13.703 1.00 0.00 C ATOM 386 C GLY A 27 6.458 -4.327 13.551 1.00 0.00 C ATOM 387 O GLY A 27 5.424 -4.312 14.218 1.00 0.00 O ATOM 0 H GLY A 27 7.421 -5.547 11.609 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.059 -6.231 14.369 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.378 -5.095 14.166 1.00 0.00 H new ATOM 391 N MET A 28 6.794 -3.397 12.668 1.00 0.00 N ATOM 392 CA MET A 28 5.932 -2.254 12.420 1.00 0.00 C ATOM 393 C MET A 28 4.623 -2.688 11.756 1.00 0.00 C ATOM 394 O MET A 28 4.518 -3.807 11.255 1.00 0.00 O ATOM 395 CB MET A 28 6.656 -1.256 11.515 1.00 0.00 C ATOM 396 CG MET A 28 6.549 -1.669 10.046 1.00 0.00 C ATOM 397 SD MET A 28 7.775 -0.805 9.078 1.00 0.00 S ATOM 398 CE MET A 28 7.075 0.837 9.084 1.00 0.00 C ATOM 0 H MET A 28 7.651 -3.412 12.116 1.00 0.00 H new ATOM 0 HA MET A 28 5.696 -1.787 13.376 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.229 -0.262 11.649 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.705 -1.193 11.803 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.691 -2.745 9.951 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.551 -1.445 9.668 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.293 1.329 8.136 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.995 0.772 9.219 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.508 1.414 9.901 1.00 0.00 H new ATOM 408 N SER A 29 3.658 -1.781 11.775 1.00 0.00 N ATOM 409 CA SER A 29 2.361 -2.056 11.182 1.00 0.00 C ATOM 410 C SER A 29 2.292 -1.460 9.774 1.00 0.00 C ATOM 411 O SER A 29 3.239 -0.819 9.321 1.00 0.00 O ATOM 412 CB SER A 29 1.230 -1.499 12.048 1.00 0.00 C ATOM 413 OG SER A 29 1.435 -1.769 13.432 1.00 0.00 O ATOM 0 H SER A 29 3.748 -0.855 12.192 1.00 0.00 H new ATOM 0 HA SER A 29 2.237 -3.137 11.119 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.154 -0.422 11.896 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.282 -1.934 11.730 1.00 0.00 H new ATOM 0 HG SER A 29 0.693 -1.396 13.952 1.00 0.00 H new ATOM 419 N VAL A 30 1.164 -1.695 9.121 1.00 0.00 N ATOM 420 CA VAL A 30 0.960 -1.189 7.774 1.00 0.00 C ATOM 421 C VAL A 30 0.732 0.322 7.830 1.00 0.00 C ATOM 422 O VAL A 30 1.278 1.067 7.017 1.00 0.00 O ATOM 423 CB VAL A 30 -0.190 -1.943 7.101 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.416 -1.437 5.675 1.00 0.00 C ATOM 425 CG2 VAL A 30 0.061 -3.452 7.115 1.00 0.00 C ATOM 0 H VAL A 30 0.382 -2.229 9.499 1.00 0.00 H new ATOM 0 HA VAL A 30 1.846 -1.361 7.163 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.098 -1.750 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.238 -1.989 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.662 -0.375 5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.490 -1.586 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.771 -3.964 6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.984 -3.672 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.149 -3.797 8.145 1.00 0.00 H new ATOM 435 N TYR A 31 -0.076 0.732 8.797 1.00 0.00 N ATOM 436 CA TYR A 31 -0.383 2.141 8.970 1.00 0.00 C ATOM 437 C TYR A 31 0.897 2.966 9.121 1.00 0.00 C ATOM 438 O TYR A 31 1.122 3.913 8.369 1.00 0.00 O ATOM 439 CB TYR A 31 -1.196 2.241 10.262 1.00 0.00 C ATOM 440 CG TYR A 31 -1.361 3.669 10.785 1.00 0.00 C ATOM 441 CD1 TYR A 31 -2.310 4.502 10.228 1.00 0.00 C ATOM 442 CD2 TYR A 31 -0.561 4.125 11.813 1.00 0.00 C ATOM 443 CE1 TYR A 31 -2.465 5.847 10.720 1.00 0.00 C ATOM 444 CE2 TYR A 31 -0.716 5.469 12.305 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.661 6.264 11.734 1.00 0.00 C ATOM 446 OH TYR A 31 -1.808 7.533 12.199 1.00 0.00 O ATOM 0 H TYR A 31 -0.528 0.112 9.469 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.925 2.525 8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.183 1.811 10.092 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.713 1.637 11.030 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.936 4.146 9.424 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.182 3.473 12.249 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.203 6.509 10.293 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.096 5.838 13.109 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.168 7.692 12.924 1.00 0.00 H new ATOM 456 N ASP A 32 1.701 2.577 10.099 1.00 0.00 N ATOM 457 CA ASP A 32 2.953 3.269 10.359 1.00 0.00 C ATOM 458 C ASP A 32 3.840 3.193 9.115 1.00 0.00 C ATOM 459 O ASP A 32 4.724 4.028 8.926 1.00 0.00 O ATOM 460 CB ASP A 32 3.709 2.621 11.520 1.00 0.00 C ATOM 461 CG ASP A 32 3.355 3.163 12.906 1.00 0.00 C ATOM 462 OD1 ASP A 32 2.656 4.199 12.948 1.00 0.00 O ATOM 463 OD2 ASP A 32 3.791 2.530 13.892 1.00 0.00 O ATOM 0 H ASP A 32 1.511 1.792 10.721 1.00 0.00 H new ATOM 0 HA ASP A 32 2.721 4.303 10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.516 1.548 11.506 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.778 2.754 11.357 1.00 0.00 H new ATOM 468 N SER A 33 3.574 2.184 8.298 1.00 0.00 N ATOM 469 CA SER A 33 4.338 1.988 7.077 1.00 0.00 C ATOM 470 C SER A 33 3.813 2.913 5.978 1.00 0.00 C ATOM 471 O SER A 33 4.539 3.778 5.490 1.00 0.00 O ATOM 472 CB SER A 33 4.278 0.530 6.618 1.00 0.00 C ATOM 473 OG SER A 33 5.474 -0.179 6.932 1.00 0.00 O ATOM 0 H SER A 33 2.840 1.494 8.458 1.00 0.00 H new ATOM 0 HA SER A 33 5.380 2.233 7.282 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.429 0.036 7.091 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.108 0.496 5.542 1.00 0.00 H new ATOM 0 HG SER A 33 5.462 -1.053 6.488 1.00 0.00 H new ATOM 479 N LEU A 34 2.555 2.700 5.620 1.00 0.00 N ATOM 480 CA LEU A 34 1.925 3.504 4.587 1.00 0.00 C ATOM 481 C LEU A 34 1.772 4.942 5.087 1.00 0.00 C ATOM 482 O LEU A 34 1.450 5.841 4.313 1.00 0.00 O ATOM 483 CB LEU A 34 0.608 2.865 4.140 1.00 0.00 C ATOM 484 CG LEU A 34 0.693 1.927 2.935 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.315 2.636 1.730 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.440 0.641 3.292 1.00 0.00 C ATOM 0 H LEU A 34 1.955 1.982 6.027 1.00 0.00 H new ATOM 0 HA LEU A 34 2.553 3.541 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.194 2.308 4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.098 3.662 3.906 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.321 1.642 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.364 1.946 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.704 3.497 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.321 2.970 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.486 -0.008 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.452 0.886 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.916 0.127 4.098 1.00 0.00 H new ATOM 498 N ASP A 35 2.011 5.113 6.379 1.00 0.00 N ATOM 499 CA ASP A 35 1.904 6.426 6.992 1.00 0.00 C ATOM 500 C ASP A 35 2.680 7.441 6.151 1.00 0.00 C ATOM 501 O ASP A 35 2.142 8.481 5.774 1.00 0.00 O ATOM 502 CB ASP A 35 2.500 6.426 8.401 1.00 0.00 C ATOM 503 CG ASP A 35 2.721 7.812 9.010 1.00 0.00 C ATOM 504 OD1 ASP A 35 1.986 8.736 8.600 1.00 0.00 O ATOM 505 OD2 ASP A 35 3.621 7.917 9.871 1.00 0.00 O ATOM 0 H ASP A 35 2.278 4.364 7.018 1.00 0.00 H new ATOM 0 HA ASP A 35 0.847 6.687 7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.841 5.858 9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.455 5.901 8.375 1.00 0.00 H new ATOM 510 N LYS A 36 3.932 7.104 5.880 1.00 0.00 N ATOM 511 CA LYS A 36 4.787 7.974 5.090 1.00 0.00 C ATOM 512 C LYS A 36 4.369 7.896 3.621 1.00 0.00 C ATOM 513 O LYS A 36 4.158 8.922 2.976 1.00 0.00 O ATOM 514 CB LYS A 36 6.261 7.637 5.328 1.00 0.00 C ATOM 515 CG LYS A 36 7.140 8.204 4.212 1.00 0.00 C ATOM 516 CD LYS A 36 8.334 8.967 4.790 1.00 0.00 C ATOM 517 CE LYS A 36 8.265 10.451 4.424 1.00 0.00 C ATOM 518 NZ LYS A 36 9.626 11.005 4.245 1.00 0.00 N ATOM 0 H LYS A 36 4.375 6.240 6.193 1.00 0.00 H new ATOM 0 HA LYS A 36 4.666 9.011 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.580 8.042 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.387 6.556 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.495 7.393 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.550 8.869 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.350 8.856 5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.262 8.538 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.690 10.579 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.742 11.001 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.561 12.013 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.163 10.900 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.112 10.492 3.482 1.00 0.00 H new ATOM 532 N ALA A 37 4.260 6.668 3.134 1.00 0.00 N ATOM 533 CA ALA A 37 3.871 6.443 1.752 1.00 0.00 C ATOM 534 C ALA A 37 2.777 7.441 1.366 1.00 0.00 C ATOM 535 O ALA A 37 2.673 7.834 0.205 1.00 0.00 O ATOM 536 CB ALA A 37 3.422 4.990 1.579 1.00 0.00 C ATOM 0 H ALA A 37 4.434 5.819 3.672 1.00 0.00 H new ATOM 0 HA ALA A 37 4.716 6.605 1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.130 4.820 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.243 4.322 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.572 4.791 2.232 1.00 0.00 H new ATOM 542 N LEU A 38 1.990 7.822 2.361 1.00 0.00 N ATOM 543 CA LEU A 38 0.908 8.766 2.140 1.00 0.00 C ATOM 544 C LEU A 38 1.422 10.188 2.376 1.00 0.00 C ATOM 545 O LEU A 38 1.349 11.034 1.487 1.00 0.00 O ATOM 546 CB LEU A 38 -0.306 8.401 2.997 1.00 0.00 C ATOM 547 CG LEU A 38 -0.950 7.045 2.703 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.229 6.857 3.522 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.198 6.869 1.204 1.00 0.00 C ATOM 0 H LEU A 38 2.080 7.494 3.323 1.00 0.00 H new ATOM 0 HA LEU A 38 0.565 8.717 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.005 8.419 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.062 9.176 2.869 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.254 6.263 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.667 5.885 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.991 6.908 4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.941 7.644 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.656 5.897 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.864 7.656 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.250 6.929 0.669 1.00 0.00 H new ATOM 561 N LYS A 39 1.931 10.407 3.580 1.00 0.00 N ATOM 562 CA LYS A 39 2.457 11.711 3.944 1.00 0.00 C ATOM 563 C LYS A 39 3.239 12.289 2.763 1.00 0.00 C ATOM 564 O LYS A 39 3.003 13.425 2.354 1.00 0.00 O ATOM 565 CB LYS A 39 3.274 11.618 5.235 1.00 0.00 C ATOM 566 CG LYS A 39 2.403 11.144 6.401 1.00 0.00 C ATOM 567 CD LYS A 39 2.103 12.295 7.364 1.00 0.00 C ATOM 568 CE LYS A 39 1.503 13.490 6.621 1.00 0.00 C ATOM 569 NZ LYS A 39 0.049 13.298 6.421 1.00 0.00 N ATOM 0 H LYS A 39 1.990 9.703 4.316 1.00 0.00 H new ATOM 0 HA LYS A 39 1.643 12.403 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.106 10.929 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.703 12.592 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.469 10.732 6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.910 10.341 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.411 11.957 8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.020 12.599 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.681 14.404 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.996 13.611 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.343 14.118 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.114 12.436 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.419 13.205 7.345 1.00 0.00 H new ATOM 583 N VAL A 40 4.154 11.481 2.248 1.00 0.00 N ATOM 584 CA VAL A 40 4.972 11.898 1.122 1.00 0.00 C ATOM 585 C VAL A 40 4.115 12.708 0.147 1.00 0.00 C ATOM 586 O VAL A 40 4.556 13.735 -0.367 1.00 0.00 O ATOM 587 CB VAL A 40 5.627 10.679 0.471 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.579 9.631 0.091 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.460 11.087 -0.746 1.00 0.00 C ATOM 0 H VAL A 40 4.347 10.540 2.590 1.00 0.00 H new ATOM 0 HA VAL A 40 5.782 12.545 1.458 1.00 0.00 H new ATOM 0 HB VAL A 40 6.300 10.231 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.071 8.775 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.048 9.306 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.870 10.065 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.914 10.201 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.817 11.572 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.243 11.779 -0.436 1.00 0.00 H new ATOM 599 N ARG A 41 2.906 12.216 -0.078 1.00 0.00 N ATOM 600 CA ARG A 41 1.983 12.881 -0.982 1.00 0.00 C ATOM 601 C ARG A 41 1.027 13.781 -0.197 1.00 0.00 C ATOM 602 O ARG A 41 0.496 14.750 -0.738 1.00 0.00 O ATOM 603 CB ARG A 41 1.171 11.864 -1.786 1.00 0.00 C ATOM 604 CG ARG A 41 2.037 11.188 -2.850 1.00 0.00 C ATOM 605 CD ARG A 41 1.189 10.307 -3.770 1.00 0.00 C ATOM 606 NE ARG A 41 1.479 10.627 -5.185 1.00 0.00 N ATOM 607 CZ ARG A 41 1.046 11.731 -5.810 1.00 0.00 C ATOM 608 NH1 ARG A 41 0.301 12.627 -5.148 1.00 0.00 N ATOM 609 NH2 ARG A 41 1.358 11.938 -7.097 1.00 0.00 N ATOM 0 H ARG A 41 2.544 11.364 0.350 1.00 0.00 H new ATOM 0 HA ARG A 41 2.572 13.485 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.759 11.110 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.327 12.362 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.552 11.946 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.805 10.583 -2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.400 9.255 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.130 10.463 -3.563 1.00 0.00 H new ATOM 0 HE ARG A 41 2.044 9.966 -5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.064 12.469 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.029 13.467 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.925 11.256 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.029 12.778 -7.573 1.00 0.00 H new ATOM 623 N GLY A 42 0.837 13.430 1.066 1.00 0.00 N ATOM 624 CA GLY A 42 -0.045 14.194 1.931 1.00 0.00 C ATOM 625 C GLY A 42 -1.381 13.473 2.126 1.00 0.00 C ATOM 626 O GLY A 42 -2.320 14.039 2.684 1.00 0.00 O ATOM 0 H GLY A 42 1.279 12.626 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.433 14.349 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.219 15.180 1.500 1.00 0.00 H new ATOM 630 N LEU A 43 -1.423 12.236 1.655 1.00 0.00 N ATOM 631 CA LEU A 43 -2.628 11.432 1.770 1.00 0.00 C ATOM 632 C LEU A 43 -2.885 11.115 3.245 1.00 0.00 C ATOM 633 O LEU A 43 -1.980 11.211 4.071 1.00 0.00 O ATOM 634 CB LEU A 43 -2.531 10.190 0.882 1.00 0.00 C ATOM 635 CG LEU A 43 -2.747 10.418 -0.615 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.152 9.272 -1.436 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.229 10.638 -0.928 1.00 0.00 C ATOM 0 H LEU A 43 -0.642 11.770 1.193 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.493 11.988 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.547 9.743 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.265 9.462 1.228 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.219 11.327 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.319 9.459 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.081 9.205 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.631 8.335 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.355 10.798 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.800 9.761 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.589 11.512 -0.386 1.00 0.00 H new ATOM 649 N ASN A 44 -4.125 10.742 3.530 1.00 0.00 N ATOM 650 CA ASN A 44 -4.512 10.410 4.890 1.00 0.00 C ATOM 651 C ASN A 44 -5.031 8.972 4.931 1.00 0.00 C ATOM 652 O ASN A 44 -5.360 8.397 3.895 1.00 0.00 O ATOM 653 CB ASN A 44 -5.630 11.330 5.384 1.00 0.00 C ATOM 654 CG ASN A 44 -5.794 11.228 6.902 1.00 0.00 C ATOM 655 OD1 ASN A 44 -6.870 10.985 7.421 1.00 0.00 O ATOM 656 ND2 ASN A 44 -4.668 11.428 7.582 1.00 0.00 N ATOM 0 H ASN A 44 -4.874 10.663 2.842 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.637 10.530 5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.407 12.360 5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.567 11.064 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.673 11.382 8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.800 11.627 7.084 1.00 0.00 H new ATOM 663 N GLN A 45 -5.089 8.431 6.140 1.00 0.00 N ATOM 664 CA GLN A 45 -5.562 7.071 6.329 1.00 0.00 C ATOM 665 C GLN A 45 -7.053 7.071 6.675 1.00 0.00 C ATOM 666 O GLN A 45 -7.492 6.317 7.542 1.00 0.00 O ATOM 667 CB GLN A 45 -4.749 6.353 7.408 1.00 0.00 C ATOM 668 CG GLN A 45 -3.325 6.072 6.925 1.00 0.00 C ATOM 669 CD GLN A 45 -2.368 7.182 7.365 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.548 8.350 7.060 1.00 0.00 O ATOM 671 NE2 GLN A 45 -1.344 6.755 8.099 1.00 0.00 N ATOM 0 H GLN A 45 -4.816 8.911 6.998 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.426 6.526 5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.717 6.963 8.311 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.238 5.416 7.674 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.985 5.115 7.321 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.316 5.988 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.252 5.763 8.318 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.651 7.420 8.443 1.00 0.00 H new ATOM 680 N ASP A 46 -7.789 7.925 5.980 1.00 0.00 N ATOM 681 CA ASP A 46 -9.221 8.033 6.203 1.00 0.00 C ATOM 682 C ASP A 46 -9.955 7.848 4.873 1.00 0.00 C ATOM 683 O ASP A 46 -10.864 7.025 4.771 1.00 0.00 O ATOM 684 CB ASP A 46 -9.589 9.410 6.759 1.00 0.00 C ATOM 685 CG ASP A 46 -10.051 9.416 8.217 1.00 0.00 C ATOM 686 OD1 ASP A 46 -9.311 8.849 9.049 1.00 0.00 O ATOM 687 OD2 ASP A 46 -11.135 9.988 8.467 1.00 0.00 O ATOM 0 H ASP A 46 -7.421 8.549 5.262 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.510 7.265 6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.724 10.066 6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.380 9.835 6.141 1.00 0.00 H new ATOM 692 N CYS A 47 -9.534 8.627 3.888 1.00 0.00 N ATOM 693 CA CYS A 47 -10.140 8.559 2.569 1.00 0.00 C ATOM 694 C CYS A 47 -9.166 7.846 1.629 1.00 0.00 C ATOM 695 O CYS A 47 -9.050 8.208 0.459 1.00 0.00 O ATOM 696 CB CYS A 47 -10.522 9.946 2.050 1.00 0.00 C ATOM 697 SG CYS A 47 -11.892 9.808 0.844 1.00 0.00 S ATOM 0 H CYS A 47 -8.780 9.309 3.977 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.071 7.994 2.622 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.821 10.585 2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.659 10.418 1.580 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.533 9.029 -0.133 1.00 0.00 H new ATOM 703 N CYS A 48 -8.489 6.847 2.175 1.00 0.00 N ATOM 704 CA CYS A 48 -7.529 6.080 1.400 1.00 0.00 C ATOM 705 C CYS A 48 -7.656 4.608 1.797 1.00 0.00 C ATOM 706 O CYS A 48 -8.186 4.292 2.861 1.00 0.00 O ATOM 707 CB CYS A 48 -6.103 6.602 1.591 1.00 0.00 C ATOM 708 SG CYS A 48 -5.934 8.256 0.827 1.00 0.00 S ATOM 0 H CYS A 48 -8.586 6.551 3.146 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.747 6.188 0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.867 6.657 2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.391 5.910 1.142 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.103 8.682 0.452 1.00 0.00 H new ATOM 714 N VAL A 49 -7.161 3.747 0.920 1.00 0.00 N ATOM 715 CA VAL A 49 -7.213 2.316 1.166 1.00 0.00 C ATOM 716 C VAL A 49 -6.019 1.643 0.487 1.00 0.00 C ATOM 717 O VAL A 49 -5.507 2.141 -0.515 1.00 0.00 O ATOM 718 CB VAL A 49 -8.559 1.754 0.702 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.854 2.159 -0.743 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.603 0.233 0.865 1.00 0.00 C ATOM 0 H VAL A 49 -6.722 4.013 0.038 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.140 2.109 2.234 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.337 2.182 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.816 1.747 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.885 3.246 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.071 1.773 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.570 -0.141 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.811 -0.220 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.460 -0.025 1.914 1.00 0.00 H new ATOM 730 N VAL A 50 -5.608 0.521 1.060 1.00 0.00 N ATOM 731 CA VAL A 50 -4.483 -0.226 0.523 1.00 0.00 C ATOM 732 C VAL A 50 -4.946 -1.633 0.142 1.00 0.00 C ATOM 733 O VAL A 50 -5.521 -2.345 0.964 1.00 0.00 O ATOM 734 CB VAL A 50 -3.329 -0.227 1.527 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.078 -0.870 0.924 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.032 1.189 2.023 1.00 0.00 C ATOM 0 H VAL A 50 -6.034 0.111 1.891 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.107 0.248 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.633 -0.826 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.273 -0.858 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.298 -1.900 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.771 -0.311 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.208 1.160 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.759 1.821 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.918 1.597 2.510 1.00 0.00 H new ATOM 746 N TYR A 51 -4.678 -1.993 -1.105 1.00 0.00 N ATOM 747 CA TYR A 51 -5.060 -3.303 -1.604 1.00 0.00 C ATOM 748 C TYR A 51 -3.843 -4.224 -1.713 1.00 0.00 C ATOM 749 O TYR A 51 -2.750 -3.778 -2.058 1.00 0.00 O ATOM 750 CB TYR A 51 -5.634 -3.069 -3.003 1.00 0.00 C ATOM 751 CG TYR A 51 -6.518 -1.826 -3.114 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.443 -1.547 -2.128 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.392 -0.983 -4.199 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.275 -0.377 -2.231 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.224 0.187 -4.303 1.00 0.00 C ATOM 756 CZ TYR A 51 -8.125 0.433 -3.314 1.00 0.00 C ATOM 757 OH TYR A 51 -8.911 1.538 -3.412 1.00 0.00 O ATOM 0 H TYR A 51 -4.201 -1.400 -1.784 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.775 -3.777 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.811 -2.981 -3.712 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.215 -3.943 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.542 -2.207 -1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.669 -1.201 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.002 -0.147 -1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.135 0.855 -5.147 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.196 1.655 -4.342 1.00 0.00 H new ATOM 767 N ARG A 52 -4.074 -5.494 -1.411 1.00 0.00 N ATOM 768 CA ARG A 52 -3.010 -6.482 -1.469 1.00 0.00 C ATOM 769 C ARG A 52 -3.140 -7.326 -2.739 1.00 0.00 C ATOM 770 O ARG A 52 -4.247 -7.676 -3.145 1.00 0.00 O ATOM 771 CB ARG A 52 -3.045 -7.402 -0.248 1.00 0.00 C ATOM 772 CG ARG A 52 -3.214 -6.596 1.042 1.00 0.00 C ATOM 773 CD ARG A 52 -2.361 -7.180 2.169 1.00 0.00 C ATOM 774 NE ARG A 52 -2.439 -8.657 2.150 1.00 0.00 N ATOM 775 CZ ARG A 52 -2.020 -9.445 3.150 1.00 0.00 C ATOM 776 NH1 ARG A 52 -1.490 -8.901 4.254 1.00 0.00 N ATOM 777 NH2 ARG A 52 -2.130 -10.776 3.045 1.00 0.00 N ATOM 0 H ARG A 52 -4.982 -5.861 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.060 -5.947 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.866 -8.113 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.124 -7.983 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.930 -5.558 0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.263 -6.594 1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.325 -6.861 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.707 -6.802 3.131 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.837 -9.104 1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.406 -7.888 4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.171 -9.500 5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.533 -11.190 2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.811 -11.376 3.806 1.00 0.00 H new ATOM 791 N LEU A 53 -1.993 -7.628 -3.330 1.00 0.00 N ATOM 792 CA LEU A 53 -1.964 -8.424 -4.545 1.00 0.00 C ATOM 793 C LEU A 53 -2.028 -9.908 -4.179 1.00 0.00 C ATOM 794 O LEU A 53 -1.043 -10.478 -3.710 1.00 0.00 O ATOM 795 CB LEU A 53 -0.751 -8.053 -5.400 1.00 0.00 C ATOM 796 CG LEU A 53 -1.003 -7.040 -6.518 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.538 -7.730 -7.774 1.00 0.00 C ATOM 798 CD2 LEU A 53 -1.929 -5.918 -6.043 1.00 0.00 C ATOM 0 H LEU A 53 -1.077 -7.336 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.837 -8.210 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.023 -7.655 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.353 -8.965 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.050 -6.582 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.708 -6.987 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.811 -8.463 -8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.476 -8.233 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.092 -5.212 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.885 -6.341 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.471 -5.401 -5.200 1.00 0.00 H new ATOM 810 N ILE A 54 -3.195 -10.492 -4.406 1.00 0.00 N ATOM 811 CA ILE A 54 -3.400 -11.899 -4.106 1.00 0.00 C ATOM 812 C ILE A 54 -3.934 -12.609 -5.351 1.00 0.00 C ATOM 813 O ILE A 54 -5.140 -12.621 -5.594 1.00 0.00 O ATOM 814 CB ILE A 54 -4.295 -12.059 -2.875 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.554 -11.646 -1.601 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.847 -13.483 -2.780 1.00 0.00 C ATOM 817 CD1 ILE A 54 -4.158 -10.373 -1.005 1.00 0.00 C ATOM 0 H ILE A 54 -4.009 -10.016 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.454 -12.376 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.148 -11.389 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.603 -12.453 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.500 -11.482 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.480 -13.570 -1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.435 -13.706 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.020 -14.189 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.614 -10.101 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.086 -9.562 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.205 -10.548 -0.759 1.00 0.00 H new ATOM 829 N LYS A 55 -3.010 -13.184 -6.107 1.00 0.00 N ATOM 830 CA LYS A 55 -3.373 -13.895 -7.321 1.00 0.00 C ATOM 831 C LYS A 55 -3.999 -12.913 -8.314 1.00 0.00 C ATOM 832 O LYS A 55 -4.939 -13.261 -9.028 1.00 0.00 O ATOM 833 CB LYS A 55 -4.266 -15.093 -6.994 1.00 0.00 C ATOM 834 CG LYS A 55 -3.516 -16.410 -7.203 1.00 0.00 C ATOM 835 CD LYS A 55 -3.774 -17.377 -6.046 1.00 0.00 C ATOM 836 CE LYS A 55 -2.572 -17.434 -5.101 1.00 0.00 C ATOM 837 NZ LYS A 55 -2.576 -18.699 -4.332 1.00 0.00 N ATOM 0 H LYS A 55 -2.011 -13.172 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.486 -14.310 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.608 -15.025 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.154 -15.072 -7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.831 -16.867 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.447 -16.215 -7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.660 -17.062 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.980 -18.373 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.648 -17.352 -5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.599 -16.586 -4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.754 -18.721 -3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.450 -18.761 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.528 -19.504 -4.988 1.00 0.00 H new ATOM 851 N GLY A 56 -3.454 -11.706 -8.327 1.00 0.00 N ATOM 852 CA GLY A 56 -3.948 -10.672 -9.221 1.00 0.00 C ATOM 853 C GLY A 56 -5.354 -10.224 -8.817 1.00 0.00 C ATOM 854 O GLY A 56 -6.264 -10.201 -9.644 1.00 0.00 O ATOM 0 H GLY A 56 -2.675 -11.420 -7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.271 -9.818 -9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.962 -11.047 -10.244 1.00 0.00 H new ATOM 858 N ARG A 57 -5.488 -9.878 -7.545 1.00 0.00 N ATOM 859 CA ARG A 57 -6.768 -9.433 -7.021 1.00 0.00 C ATOM 860 C ARG A 57 -6.556 -8.462 -5.858 1.00 0.00 C ATOM 861 O ARG A 57 -6.110 -8.862 -4.783 1.00 0.00 O ATOM 862 CB ARG A 57 -7.609 -10.617 -6.541 1.00 0.00 C ATOM 863 CG ARG A 57 -8.493 -11.154 -7.669 1.00 0.00 C ATOM 864 CD ARG A 57 -9.713 -10.255 -7.883 1.00 0.00 C ATOM 865 NE ARG A 57 -10.658 -10.901 -8.822 1.00 0.00 N ATOM 866 CZ ARG A 57 -10.537 -10.862 -10.155 1.00 0.00 C ATOM 867 NH1 ARG A 57 -9.511 -10.209 -10.716 1.00 0.00 N ATOM 868 NH2 ARG A 57 -11.443 -11.477 -10.929 1.00 0.00 N ATOM 0 H ARG A 57 -4.731 -9.897 -6.862 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.299 -8.929 -7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.954 -11.410 -6.178 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.232 -10.309 -5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.915 -11.215 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.820 -12.166 -7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.207 -10.065 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.399 -9.289 -8.277 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.451 -11.408 -8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.821 -9.741 -10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.419 -10.180 -11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.225 -11.975 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.351 -11.447 -11.944 1.00 0.00 H new ATOM 882 N LYS A 58 -6.886 -7.204 -6.111 1.00 0.00 N ATOM 883 CA LYS A 58 -6.737 -6.172 -5.098 1.00 0.00 C ATOM 884 C LYS A 58 -7.542 -6.563 -3.857 1.00 0.00 C ATOM 885 O LYS A 58 -8.772 -6.562 -3.885 1.00 0.00 O ATOM 886 CB LYS A 58 -7.112 -4.803 -5.669 1.00 0.00 C ATOM 887 CG LYS A 58 -5.932 -4.178 -6.415 1.00 0.00 C ATOM 888 CD LYS A 58 -6.023 -4.455 -7.917 1.00 0.00 C ATOM 889 CE LYS A 58 -6.027 -3.151 -8.716 1.00 0.00 C ATOM 890 NZ LYS A 58 -5.718 -3.414 -10.139 1.00 0.00 N ATOM 0 H LYS A 58 -7.256 -6.876 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.695 -6.088 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.960 -4.907 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.427 -4.142 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.916 -3.102 -6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.997 -4.579 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.181 -5.073 -8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.930 -5.020 -8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.001 -2.669 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.293 -2.461 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.725 -2.518 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.778 -3.853 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.433 -4.056 -10.537 1.00 0.00 H new ATOM 904 N THR A 59 -6.816 -6.887 -2.798 1.00 0.00 N ATOM 905 CA THR A 59 -7.447 -7.279 -1.549 1.00 0.00 C ATOM 906 C THR A 59 -7.211 -6.215 -0.475 1.00 0.00 C ATOM 907 O THR A 59 -6.160 -6.194 0.162 1.00 0.00 O ATOM 908 CB THR A 59 -6.915 -8.660 -1.163 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.802 -9.568 -1.811 1.00 0.00 O ATOM 910 CG2 THR A 59 -7.096 -8.962 0.326 1.00 0.00 C ATOM 0 H THR A 59 -5.796 -6.886 -2.779 1.00 0.00 H new ATOM 0 HA THR A 59 -8.529 -7.351 -1.659 1.00 0.00 H new ATOM 0 HB THR A 59 -5.858 -8.726 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.529 -10.488 -1.615 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.702 -9.954 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.559 -8.219 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.156 -8.929 0.578 1.00 0.00 H new ATOM 918 N VAL A 60 -8.207 -5.357 -0.309 1.00 0.00 N ATOM 919 CA VAL A 60 -8.121 -4.293 0.677 1.00 0.00 C ATOM 920 C VAL A 60 -7.447 -4.828 1.942 1.00 0.00 C ATOM 921 O VAL A 60 -7.574 -6.008 2.265 1.00 0.00 O ATOM 922 CB VAL A 60 -9.511 -3.710 0.941 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.483 -2.739 2.123 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.069 -3.033 -0.312 1.00 0.00 C ATOM 0 H VAL A 60 -9.077 -5.377 -0.840 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.506 -3.475 0.302 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.176 -4.534 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.483 -2.339 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.149 -3.264 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.797 -1.921 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.058 -2.627 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.404 -2.225 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.144 -3.764 -1.117 1.00 0.00 H new ATOM 934 N THR A 61 -6.745 -3.935 2.623 1.00 0.00 N ATOM 935 CA THR A 61 -6.050 -4.303 3.845 1.00 0.00 C ATOM 936 C THR A 61 -6.461 -3.376 4.991 1.00 0.00 C ATOM 937 O THR A 61 -7.028 -2.309 4.759 1.00 0.00 O ATOM 938 CB THR A 61 -4.548 -4.285 3.559 1.00 0.00 C ATOM 939 OG1 THR A 61 -4.013 -5.262 4.448 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.883 -2.979 3.997 1.00 0.00 C ATOM 0 H THR A 61 -6.642 -2.957 2.352 1.00 0.00 H new ATOM 0 HA THR A 61 -6.322 -5.308 4.167 1.00 0.00 H new ATOM 0 HB THR A 61 -4.381 -4.437 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.053 -5.105 4.568 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.817 -3.020 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.336 -2.143 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.021 -2.842 5.069 1.00 0.00 H new ATOM 948 N ALA A 62 -6.159 -3.817 6.203 1.00 0.00 N ATOM 949 CA ALA A 62 -6.489 -3.041 7.386 1.00 0.00 C ATOM 950 C ALA A 62 -5.312 -2.129 7.738 1.00 0.00 C ATOM 951 O ALA A 62 -4.194 -2.345 7.273 1.00 0.00 O ATOM 952 CB ALA A 62 -6.856 -3.987 8.532 1.00 0.00 C ATOM 0 H ALA A 62 -5.689 -4.702 6.391 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.354 -2.405 7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.104 -3.405 9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.716 -4.592 8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.010 -4.639 8.750 1.00 0.00 H new ATOM 958 N TRP A 63 -5.604 -1.128 8.556 1.00 0.00 N ATOM 959 CA TRP A 63 -4.584 -0.182 8.975 1.00 0.00 C ATOM 960 C TRP A 63 -3.970 -0.696 10.279 1.00 0.00 C ATOM 961 O TRP A 63 -2.862 -0.306 10.643 1.00 0.00 O ATOM 962 CB TRP A 63 -5.163 1.228 9.102 1.00 0.00 C ATOM 963 CG TRP A 63 -5.598 1.845 7.771 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.840 2.142 7.366 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.736 2.229 6.680 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.842 2.688 6.099 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.521 2.743 5.668 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.338 2.146 6.551 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -5.001 3.214 4.457 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.833 2.620 5.334 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.611 3.140 4.306 1.00 0.00 C ATOM 0 H TRP A 63 -6.533 -0.952 8.940 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.796 -0.106 8.225 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.020 1.198 9.774 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.418 1.875 9.564 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.728 1.975 7.957 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.662 2.995 5.575 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.704 1.748 7.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.637 3.613 3.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.764 2.579 5.183 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.145 3.485 3.395 1.00 0.00 H new ATOM 982 N ASP A 64 -4.717 -1.564 10.946 1.00 0.00 N ATOM 983 CA ASP A 64 -4.259 -2.135 12.201 1.00 0.00 C ATOM 984 C ASP A 64 -3.590 -3.484 11.929 1.00 0.00 C ATOM 985 O ASP A 64 -3.475 -4.316 12.827 1.00 0.00 O ATOM 986 CB ASP A 64 -5.430 -2.373 13.157 1.00 0.00 C ATOM 987 CG ASP A 64 -5.477 -1.439 14.368 1.00 0.00 C ATOM 988 OD1 ASP A 64 -4.393 -1.204 14.944 1.00 0.00 O ATOM 989 OD2 ASP A 64 -6.595 -0.982 14.689 1.00 0.00 O ATOM 0 H ASP A 64 -5.636 -1.885 10.641 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.559 -1.434 12.655 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.361 -2.268 12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.386 -3.402 13.513 1.00 0.00 H new ATOM 994 N THR A 65 -3.165 -3.657 10.686 1.00 0.00 N ATOM 995 CA THR A 65 -2.509 -4.890 10.284 1.00 0.00 C ATOM 996 C THR A 65 -0.989 -4.729 10.341 1.00 0.00 C ATOM 997 O THR A 65 -0.478 -3.610 10.312 1.00 0.00 O ATOM 998 CB THR A 65 -3.029 -5.271 8.897 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.444 -5.149 9.010 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.808 -6.751 8.575 1.00 0.00 C ATOM 0 H THR A 65 -3.262 -2.964 9.944 1.00 0.00 H new ATOM 0 HA THR A 65 -2.743 -5.705 10.970 1.00 0.00 H new ATOM 0 HB THR A 65 -2.535 -4.657 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.850 -6.041 9.012 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.195 -6.968 7.579 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.742 -6.975 8.607 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.330 -7.365 9.309 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.308 -5.863 10.419 1.00 0.00 N ATOM 1009 CA ALA A 66 1.143 -5.862 10.480 1.00 0.00 C ATOM 1010 C ALA A 66 1.709 -5.938 9.060 1.00 0.00 C ATOM 1011 O ALA A 66 1.053 -6.448 8.154 1.00 0.00 O ATOM 1012 CB ALA A 66 1.619 -7.020 11.360 1.00 0.00 C ATOM 0 H ALA A 66 -0.735 -6.789 10.441 1.00 0.00 H new ATOM 0 HA ALA A 66 1.507 -4.939 10.931 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.708 -7.019 11.405 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.214 -6.904 12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.275 -7.964 10.937 1.00 0.00 H new ATOM 1018 N ILE A 67 2.920 -5.422 8.912 1.00 0.00 N ATOM 1019 CA ILE A 67 3.581 -5.426 7.618 1.00 0.00 C ATOM 1020 C ILE A 67 4.617 -6.552 7.582 1.00 0.00 C ATOM 1021 O ILE A 67 5.500 -6.560 6.726 1.00 0.00 O ATOM 1022 CB ILE A 67 4.164 -4.045 7.310 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.579 -3.939 5.841 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.319 -3.713 8.257 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.635 -3.015 5.070 1.00 0.00 C ATOM 0 H ILE A 67 3.461 -4.999 9.666 1.00 0.00 H new ATOM 0 HA ILE A 67 2.862 -5.628 6.824 1.00 0.00 H new ATOM 0 HB ILE A 67 3.385 -3.301 7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.599 -3.561 5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.576 -4.930 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.715 -2.726 8.016 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.959 -3.718 9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.107 -4.457 8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.952 -2.957 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.620 -3.409 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.659 -2.019 5.512 1.00 0.00 H new ATOM 1037 N ALA A 68 4.473 -7.475 8.521 1.00 0.00 N ATOM 1038 CA ALA A 68 5.385 -8.603 8.608 1.00 0.00 C ATOM 1039 C ALA A 68 5.028 -9.625 7.526 1.00 0.00 C ATOM 1040 O ALA A 68 5.874 -9.994 6.713 1.00 0.00 O ATOM 1041 CB ALA A 68 5.327 -9.199 10.015 1.00 0.00 C ATOM 0 H ALA A 68 3.738 -7.465 9.229 1.00 0.00 H new ATOM 0 HA ALA A 68 6.412 -8.282 8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.011 -10.045 10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.616 -8.441 10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.312 -9.536 10.226 1.00 0.00 H new ATOM 1047 N PRO A 69 3.742 -10.065 7.553 1.00 0.00 N ATOM 1048 CA PRO A 69 3.263 -11.037 6.585 1.00 0.00 C ATOM 1049 C PRO A 69 3.050 -10.388 5.216 1.00 0.00 C ATOM 1050 O PRO A 69 1.960 -10.468 4.650 1.00 0.00 O ATOM 1051 CB PRO A 69 1.982 -11.592 7.185 1.00 0.00 C ATOM 1052 CG PRO A 69 1.544 -10.586 8.237 1.00 0.00 C ATOM 1053 CD PRO A 69 2.712 -9.650 8.501 1.00 0.00 C ATOM 0 HA PRO A 69 3.980 -11.837 6.402 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.215 -11.717 6.421 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.152 -12.573 7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.676 -10.025 7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.249 -11.096 9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.428 -8.609 8.346 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.063 -9.735 9.529 1.00 0.00 H new ATOM 1061 N LEU A 70 4.107 -9.761 4.722 1.00 0.00 N ATOM 1062 CA LEU A 70 4.049 -9.098 3.430 1.00 0.00 C ATOM 1063 C LEU A 70 5.370 -9.319 2.689 1.00 0.00 C ATOM 1064 O LEU A 70 5.850 -8.428 1.991 1.00 0.00 O ATOM 1065 CB LEU A 70 3.678 -7.624 3.600 1.00 0.00 C ATOM 1066 CG LEU A 70 2.230 -7.339 4.003 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.251 -8.067 3.081 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.993 -7.681 5.475 1.00 0.00 C ATOM 0 H LEU A 70 5.009 -9.698 5.193 1.00 0.00 H new ATOM 0 HA LEU A 70 3.261 -9.531 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.336 -7.189 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.881 -7.108 2.662 1.00 0.00 H new ATOM 0 HG LEU A 70 2.047 -6.271 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.229 -7.847 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.400 -7.732 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.425 -9.141 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.956 -7.469 5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.200 -8.738 5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.654 -7.080 6.099 1.00 0.00 H new ATOM 1080 N ASP A 71 5.919 -10.512 2.866 1.00 0.00 N ATOM 1081 CA ASP A 71 7.174 -10.861 2.223 1.00 0.00 C ATOM 1082 C ASP A 71 6.904 -11.262 0.772 1.00 0.00 C ATOM 1083 O ASP A 71 6.500 -12.392 0.501 1.00 0.00 O ATOM 1084 CB ASP A 71 7.841 -12.045 2.925 1.00 0.00 C ATOM 1085 CG ASP A 71 8.822 -12.840 2.060 1.00 0.00 C ATOM 1086 OD1 ASP A 71 9.760 -12.203 1.535 1.00 0.00 O ATOM 1087 OD2 ASP A 71 8.611 -14.067 1.944 1.00 0.00 O ATOM 0 H ASP A 71 5.517 -11.249 3.446 1.00 0.00 H new ATOM 0 HA ASP A 71 7.832 -9.994 2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.371 -11.676 3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.064 -12.721 3.282 1.00 0.00 H new ATOM 1092 N GLY A 72 7.138 -10.314 -0.124 1.00 0.00 N ATOM 1093 CA GLY A 72 6.925 -10.554 -1.541 1.00 0.00 C ATOM 1094 C GLY A 72 5.467 -10.298 -1.928 1.00 0.00 C ATOM 1095 O GLY A 72 4.652 -11.219 -1.935 1.00 0.00 O ATOM 0 H GLY A 72 7.473 -9.378 0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.579 -9.907 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.194 -11.582 -1.784 1.00 0.00 H new ATOM 1099 N GLU A 73 5.183 -9.042 -2.240 1.00 0.00 N ATOM 1100 CA GLU A 73 3.837 -8.653 -2.627 1.00 0.00 C ATOM 1101 C GLU A 73 3.833 -7.222 -3.168 1.00 0.00 C ATOM 1102 O GLU A 73 4.890 -6.654 -3.439 1.00 0.00 O ATOM 1103 CB GLU A 73 2.866 -8.799 -1.454 1.00 0.00 C ATOM 1104 CG GLU A 73 3.229 -7.838 -0.319 1.00 0.00 C ATOM 1105 CD GLU A 73 2.424 -6.541 -0.421 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.241 -6.636 -0.813 1.00 0.00 O ATOM 1107 OE2 GLU A 73 3.010 -5.483 -0.104 1.00 0.00 O ATOM 0 H GLU A 73 5.862 -8.281 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 73 3.500 -9.321 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.849 -8.600 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.885 -9.825 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.037 -8.315 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.295 -7.613 -0.355 1.00 0.00 H new ATOM 1114 N GLU A 74 2.632 -6.680 -3.309 1.00 0.00 N ATOM 1115 CA GLU A 74 2.477 -5.326 -3.812 1.00 0.00 C ATOM 1116 C GLU A 74 1.190 -4.702 -3.268 1.00 0.00 C ATOM 1117 O GLU A 74 0.098 -5.214 -3.507 1.00 0.00 O ATOM 1118 CB GLU A 74 2.492 -5.305 -5.342 1.00 0.00 C ATOM 1119 CG GLU A 74 3.875 -4.921 -5.871 1.00 0.00 C ATOM 1120 CD GLU A 74 3.926 -3.440 -6.250 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.182 -2.665 -5.612 1.00 0.00 O ATOM 1122 OE2 GLU A 74 4.708 -3.116 -7.170 1.00 0.00 O ATOM 0 H GLU A 74 1.757 -7.154 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 74 3.322 -4.731 -3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.211 -6.286 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.749 -4.596 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.629 -5.132 -5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.118 -5.531 -6.741 1.00 0.00 H new ATOM 1129 N LEU A 75 1.362 -3.604 -2.547 1.00 0.00 N ATOM 1130 CA LEU A 75 0.229 -2.904 -1.967 1.00 0.00 C ATOM 1131 C LEU A 75 -0.166 -1.739 -2.877 1.00 0.00 C ATOM 1132 O LEU A 75 0.696 -1.024 -3.385 1.00 0.00 O ATOM 1133 CB LEU A 75 0.537 -2.484 -0.528 1.00 0.00 C ATOM 1134 CG LEU A 75 0.468 -3.593 0.524 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.083 -3.132 1.847 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.968 -4.091 0.702 1.00 0.00 C ATOM 0 H LEU A 75 2.270 -3.182 -2.351 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.635 -3.566 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.536 -2.049 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.161 -1.696 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 75 1.060 -4.437 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.021 -3.939 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.128 -2.865 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.539 -2.264 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.989 -4.879 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.602 -3.265 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.337 -4.485 -0.245 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.470 -1.584 -3.054 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.989 -0.518 -3.894 1.00 0.00 C ATOM 1150 C ILE A 76 -2.767 0.474 -3.028 1.00 0.00 C ATOM 1151 O ILE A 76 -3.848 0.157 -2.533 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.806 -1.097 -5.051 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.897 -1.771 -6.081 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.695 -0.025 -5.685 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.720 -2.517 -7.133 1.00 0.00 C ATOM 0 H ILE A 76 -2.182 -2.179 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.172 0.035 -4.357 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.466 -1.867 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.273 -1.021 -6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.225 -2.467 -5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.265 -0.463 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.381 0.368 -4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.073 0.784 -6.067 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.050 -2.987 -7.853 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.324 -3.282 -6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.373 -1.814 -7.650 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.188 1.655 -2.872 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.814 2.696 -2.074 1.00 0.00 C ATOM 1169 C VAL A 77 -3.655 3.593 -2.983 1.00 0.00 C ATOM 1170 O VAL A 77 -3.114 4.338 -3.800 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.748 3.468 -1.292 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.386 4.547 -0.415 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.887 2.519 -0.456 1.00 0.00 C ATOM 0 H VAL A 77 -1.292 1.915 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.487 2.259 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.097 3.964 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.607 5.081 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.935 5.249 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.071 4.082 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.138 3.093 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.519 1.982 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.390 1.805 -1.113 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.965 3.494 -2.812 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.886 4.287 -3.607 1.00 0.00 C ATOM 1185 C GLU A 78 -6.818 5.089 -2.697 1.00 0.00 C ATOM 1186 O GLU A 78 -7.130 4.659 -1.588 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.685 3.402 -4.567 1.00 0.00 C ATOM 1188 CG GLU A 78 -5.836 2.995 -5.773 1.00 0.00 C ATOM 1189 CD GLU A 78 -6.720 2.609 -6.960 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -7.778 3.257 -7.114 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -6.318 1.676 -7.687 1.00 0.00 O ATOM 0 H GLU A 78 -5.410 2.876 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.306 4.987 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.030 2.511 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.573 3.936 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.181 3.819 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.195 2.156 -5.504 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.237 6.241 -3.200 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.127 7.108 -2.446 1.00 0.00 C ATOM 1200 C VAL A 79 -9.552 6.555 -2.518 1.00 0.00 C ATOM 1201 O VAL A 79 -9.987 6.085 -3.569 1.00 0.00 O ATOM 1202 CB VAL A 79 -8.017 8.545 -2.959 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -9.175 9.402 -2.443 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.668 9.160 -2.580 1.00 0.00 C ATOM 0 H VAL A 79 -6.977 6.594 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.839 7.130 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.080 8.518 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.073 10.419 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.120 8.981 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.158 9.418 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.615 10.182 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.563 9.167 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.863 8.570 -3.018 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.240 6.630 -1.388 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.607 6.143 -1.310 1.00 0.00 C ATOM 1216 C LEU A 80 -12.532 7.114 -2.046 1.00 0.00 C ATOM 1217 O LEU A 80 -12.399 8.329 -1.907 1.00 0.00 O ATOM 1218 CB LEU A 80 -12.005 5.896 0.146 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.375 4.674 0.817 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -11.366 4.827 2.339 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.072 3.386 0.374 1.00 0.00 C ATOM 0 H LEU A 80 -9.876 7.021 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.697 5.178 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.744 6.780 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.089 5.792 0.193 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.336 4.605 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.913 3.945 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.790 5.711 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.389 4.935 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.605 2.532 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.126 3.430 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.982 3.277 -0.707 1.00 0.00 H new ATOM 1233 N SER A 81 -13.450 6.542 -2.811 1.00 0.00 N ATOM 1234 CA SER A 81 -14.398 7.342 -3.568 1.00 0.00 C ATOM 1235 C SER A 81 -13.653 8.217 -4.579 1.00 0.00 C ATOM 1236 O SER A 81 -12.605 8.779 -4.265 1.00 0.00 O ATOM 1237 CB SER A 81 -15.250 8.210 -2.641 1.00 0.00 C ATOM 1238 OG SER A 81 -16.382 7.503 -2.139 1.00 0.00 O ATOM 0 H SER A 81 -13.558 5.534 -2.923 1.00 0.00 H new ATOM 0 HA SER A 81 -15.066 6.667 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.640 8.557 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.586 9.096 -3.180 1.00 0.00 H new ATOM 0 HG SER A 81 -16.900 8.091 -1.550 1.00 0.00 H new ATOM 1244 N GLY A 82 -14.225 8.305 -5.771 1.00 0.00 N ATOM 1245 CA GLY A 82 -13.629 9.102 -6.829 1.00 0.00 C ATOM 1246 C GLY A 82 -14.705 9.814 -7.652 1.00 0.00 C ATOM 1247 O GLY A 82 -15.275 9.231 -8.573 1.00 0.00 O ATOM 0 H GLY A 82 -15.095 7.838 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.951 9.838 -6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.033 8.462 -7.479 1.00 0.00 H new ATOM 1251 N PRO A 83 -14.957 11.098 -7.281 1.00 0.00 N ATOM 1252 CA PRO A 83 -15.954 11.895 -7.974 1.00 0.00 C ATOM 1253 C PRO A 83 -15.437 12.355 -9.338 1.00 0.00 C ATOM 1254 O PRO A 83 -16.136 12.236 -10.343 1.00 0.00 O ATOM 1255 CB PRO A 83 -16.257 13.051 -7.033 1.00 0.00 C ATOM 1256 CG PRO A 83 -15.089 13.114 -6.062 1.00 0.00 C ATOM 1257 CD PRO A 83 -14.301 11.822 -6.195 1.00 0.00 C ATOM 0 HA PRO A 83 -16.860 11.333 -8.198 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -16.359 13.986 -7.583 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -17.196 12.889 -6.504 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.455 13.972 -6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -15.448 13.238 -5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.254 12.019 -6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -14.321 11.249 -5.268 1.00 0.00 H new ATOM 1265 N SER A 84 -14.217 12.871 -9.330 1.00 0.00 N ATOM 1266 CA SER A 84 -13.598 13.349 -10.555 1.00 0.00 C ATOM 1267 C SER A 84 -13.125 12.164 -11.399 1.00 0.00 C ATOM 1268 O SER A 84 -12.815 11.101 -10.864 1.00 0.00 O ATOM 1269 CB SER A 84 -12.427 14.285 -10.251 1.00 0.00 C ATOM 1270 OG SER A 84 -12.258 15.275 -11.262 1.00 0.00 O ATOM 0 H SER A 84 -13.640 12.969 -8.494 1.00 0.00 H new ATOM 0 HA SER A 84 -14.342 13.913 -11.117 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.593 14.773 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.511 13.701 -10.158 1.00 0.00 H new ATOM 0 HG SER A 84 -11.502 15.854 -11.030 1.00 0.00 H new ATOM 1276 N SER A 85 -13.085 12.388 -12.705 1.00 0.00 N ATOM 1277 CA SER A 85 -12.655 11.352 -13.628 1.00 0.00 C ATOM 1278 C SER A 85 -13.595 10.148 -13.539 1.00 0.00 C ATOM 1279 O SER A 85 -13.457 9.312 -12.648 1.00 0.00 O ATOM 1280 CB SER A 85 -11.215 10.922 -13.342 1.00 0.00 C ATOM 1281 OG SER A 85 -10.319 11.339 -14.369 1.00 0.00 O ATOM 0 H SER A 85 -13.343 13.271 -13.145 1.00 0.00 H new ATOM 0 HA SER A 85 -12.691 11.759 -14.638 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.894 11.342 -12.389 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.173 9.837 -13.243 1.00 0.00 H new ATOM 0 HG SER A 85 -9.410 11.047 -14.148 1.00 0.00 H new ATOM 1287 N GLY A 86 -14.532 10.099 -14.475 1.00 0.00 N ATOM 1288 CA GLY A 86 -15.495 9.012 -14.514 1.00 0.00 C ATOM 1289 C GLY A 86 -16.888 9.526 -14.884 1.00 0.00 C ATOM 1290 O GLY A 86 -17.273 9.497 -16.052 1.00 0.00 O ATOM 0 H GLY A 86 -14.644 10.795 -15.212 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.175 8.264 -15.239 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.532 8.519 -13.543 1.00 0.00 H new TER 1294 GLY A 86