USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 638 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 8 ASN : amide:sc= -0.0155 K(o=1.2,f=-0.3) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -0:sc= 0.274 USER MOD Single : A 15 LYS NZ :NH3+ 170:sc=-0.000527 (180deg=-0.112) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 118:sc= 1.53 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0106 (180deg=-0.132) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.16) USER MOD Single : A 32 MET CE :methyl -171:sc= 0 (180deg=-0.0894) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -157:sc= -0.179 (180deg=-0.798) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 31:sc= 0.0301 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 1.18 (180deg=0.681) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 7.173 2.271 9.799 1.00 1.21 N ATOM 57 CA GLY A 4 6.432 1.936 8.602 1.00 23.10 C ATOM 58 C GLY A 4 6.991 0.730 7.883 1.00 13.31 C ATOM 59 O GLY A 4 8.194 0.644 7.630 1.00 20.34 O ATOM 0 HA2 GLY A 4 5.392 1.745 8.866 1.00 23.10 H new ATOM 0 HA3 GLY A 4 6.438 2.791 7.926 1.00 23.10 H new ATOM 63 N ILE A 5 6.116 -0.209 7.569 1.00 11.13 N ATOM 64 CA ILE A 5 6.497 -1.391 6.818 1.00 44.44 C ATOM 65 C ILE A 5 6.087 -1.220 5.366 1.00 54.43 C ATOM 66 O ILE A 5 5.320 -0.309 5.041 1.00 73.55 O ATOM 67 CB ILE A 5 5.848 -2.671 7.387 1.00 24.32 C ATOM 68 CG1 ILE A 5 4.321 -2.522 7.426 1.00 31.23 C ATOM 69 CG2 ILE A 5 6.399 -2.973 8.775 1.00 51.22 C ATOM 70 CD1 ILE A 5 3.596 -3.746 7.945 1.00 23.20 C ATOM 0 H ILE A 5 5.129 -0.174 7.825 1.00 11.13 H new ATOM 0 HA ILE A 5 7.578 -1.502 6.898 1.00 44.44 H new ATOM 0 HB ILE A 5 6.093 -3.508 6.734 1.00 24.32 H new ATOM 0 HG12 ILE A 5 4.065 -1.668 8.053 1.00 31.23 H new ATOM 0 HG13 ILE A 5 3.962 -2.299 6.421 1.00 31.23 H new ATOM 0 HG21 ILE A 5 5.932 -3.878 9.163 1.00 51.22 H new ATOM 0 HG22 ILE A 5 7.478 -3.119 8.715 1.00 51.22 H new ATOM 0 HG23 ILE A 5 6.182 -2.139 9.442 1.00 51.22 H new ATOM 0 HD11 ILE A 5 2.522 -3.561 7.942 1.00 23.20 H new ATOM 0 HD12 ILE A 5 3.819 -4.600 7.305 1.00 23.20 H new ATOM 0 HD13 ILE A 5 3.924 -3.959 8.962 1.00 23.20 H new ATOM 82 N GLY A 6 6.590 -2.083 4.499 1.00 63.32 N ATOM 83 CA GLY A 6 6.238 -1.997 3.102 1.00 21.33 C ATOM 84 C GLY A 6 4.794 -2.382 2.864 1.00 4.00 C ATOM 85 O GLY A 6 4.261 -3.249 3.554 1.00 73.24 O ATOM 0 H GLY A 6 7.233 -2.838 4.738 1.00 63.32 H new ATOM 0 HA2 GLY A 6 6.407 -0.981 2.746 1.00 21.33 H new ATOM 0 HA3 GLY A 6 6.889 -2.651 2.522 1.00 21.33 H new ATOM 89 N LEU A 7 4.167 -1.732 1.894 1.00 73.03 N ATOM 90 CA LEU A 7 2.781 -2.012 1.522 1.00 31.24 C ATOM 91 C LEU A 7 2.619 -3.500 1.195 1.00 20.42 C ATOM 92 O LEU A 7 1.621 -4.129 1.550 1.00 74.04 O ATOM 93 CB LEU A 7 2.397 -1.128 0.319 1.00 52.22 C ATOM 94 CG LEU A 7 0.902 -0.962 0.020 1.00 51.15 C ATOM 95 CD1 LEU A 7 0.295 -2.245 -0.522 1.00 30.14 C ATOM 96 CD2 LEU A 7 0.163 -0.503 1.262 1.00 22.21 C ATOM 0 H LEU A 7 4.602 -0.994 1.340 1.00 73.03 H new ATOM 0 HA LEU A 7 2.115 -1.780 2.353 1.00 31.24 H new ATOM 0 HB2 LEU A 7 2.822 -0.137 0.479 1.00 52.22 H new ATOM 0 HB3 LEU A 7 2.875 -1.540 -0.569 1.00 52.22 H new ATOM 0 HG LEU A 7 0.799 -0.199 -0.752 1.00 51.15 H new ATOM 0 HD11 LEU A 7 -0.765 -2.090 -0.722 1.00 30.14 H new ATOM 0 HD12 LEU A 7 0.802 -2.525 -1.446 1.00 30.14 H new ATOM 0 HD13 LEU A 7 0.413 -3.042 0.212 1.00 30.14 H new ATOM 0 HD21 LEU A 7 -0.897 -0.390 1.034 1.00 22.21 H new ATOM 0 HD22 LEU A 7 0.287 -1.242 2.053 1.00 22.21 H new ATOM 0 HD23 LEU A 7 0.567 0.454 1.593 1.00 22.21 H new ATOM 108 N ASN A 8 3.634 -4.056 0.546 1.00 73.14 N ATOM 109 CA ASN A 8 3.658 -5.474 0.178 1.00 54.34 C ATOM 110 C ASN A 8 3.605 -6.376 1.415 1.00 4.40 C ATOM 111 O ASN A 8 3.259 -7.556 1.333 1.00 11.14 O ATOM 112 CB ASN A 8 4.938 -5.761 -0.617 1.00 45.41 C ATOM 113 CG ASN A 8 5.100 -7.218 -1.006 1.00 14.14 C ATOM 114 OD1 ASN A 8 4.131 -7.919 -1.302 1.00 72.01 O ATOM 115 ND2 ASN A 8 6.340 -7.685 -1.004 1.00 2.22 N ATOM 0 H ASN A 8 4.466 -3.541 0.258 1.00 73.14 H new ATOM 0 HA ASN A 8 2.778 -5.689 -0.429 1.00 54.34 H new ATOM 0 HB2 ASN A 8 4.939 -5.151 -1.520 1.00 45.41 H new ATOM 0 HB3 ASN A 8 5.800 -5.454 -0.024 1.00 45.41 H new ATOM 0 HD21 ASN A 8 6.519 -8.658 -1.254 1.00 2.22 H new ATOM 0 HD22 ASN A 8 7.115 -7.072 -0.753 1.00 2.22 H new ATOM 122 N GLU A 9 3.934 -5.812 2.566 1.00 44.20 N ATOM 123 CA GLU A 9 4.095 -6.585 3.775 1.00 4.15 C ATOM 124 C GLU A 9 2.921 -6.393 4.730 1.00 41.11 C ATOM 125 O GLU A 9 2.932 -6.907 5.851 1.00 61.15 O ATOM 126 CB GLU A 9 5.402 -6.173 4.437 1.00 75.22 C ATOM 127 CG GLU A 9 6.593 -6.314 3.509 1.00 51.24 C ATOM 128 CD GLU A 9 7.880 -5.811 4.116 1.00 11.15 C ATOM 129 OE1 GLU A 9 8.560 -6.598 4.804 1.00 40.44 O ATOM 130 OE2 GLU A 9 8.231 -4.637 3.881 1.00 42.51 O ATOM 0 H GLU A 9 4.095 -4.812 2.683 1.00 44.20 H new ATOM 0 HA GLU A 9 4.120 -7.645 3.521 1.00 4.15 H new ATOM 0 HB2 GLU A 9 5.326 -5.138 4.771 1.00 75.22 H new ATOM 0 HB3 GLU A 9 5.564 -6.783 5.326 1.00 75.22 H new ATOM 0 HG2 GLU A 9 6.712 -7.363 3.237 1.00 51.24 H new ATOM 0 HG3 GLU A 9 6.395 -5.767 2.587 1.00 51.24 H new ATOM 137 N VAL A 10 1.905 -5.672 4.278 1.00 25.11 N ATOM 138 CA VAL A 10 0.720 -5.426 5.092 1.00 24.32 C ATOM 139 C VAL A 10 -0.277 -6.575 4.930 1.00 43.54 C ATOM 140 O VAL A 10 -0.217 -7.327 3.955 1.00 30.15 O ATOM 141 CB VAL A 10 0.043 -4.084 4.713 1.00 21.11 C ATOM 142 CG1 VAL A 10 -1.072 -3.723 5.683 1.00 71.31 C ATOM 143 CG2 VAL A 10 1.070 -2.968 4.654 1.00 23.24 C ATOM 0 H VAL A 10 1.876 -5.246 3.352 1.00 25.11 H new ATOM 0 HA VAL A 10 1.036 -5.364 6.133 1.00 24.32 H new ATOM 0 HB VAL A 10 -0.402 -4.209 3.726 1.00 21.11 H new ATOM 0 HG11 VAL A 10 -1.522 -2.776 5.384 1.00 71.31 H new ATOM 0 HG12 VAL A 10 -1.831 -4.505 5.672 1.00 71.31 H new ATOM 0 HG13 VAL A 10 -0.663 -3.629 6.689 1.00 71.31 H new ATOM 0 HG21 VAL A 10 0.577 -2.033 4.387 1.00 23.24 H new ATOM 0 HG22 VAL A 10 1.547 -2.861 5.628 1.00 23.24 H new ATOM 0 HG23 VAL A 10 1.825 -3.207 3.905 1.00 23.24 H new ATOM 153 N GLU A 11 -1.182 -6.712 5.891 1.00 2.01 N ATOM 154 CA GLU A 11 -2.173 -7.776 5.863 1.00 41.34 C ATOM 155 C GLU A 11 -3.376 -7.335 5.031 1.00 42.31 C ATOM 156 O GLU A 11 -3.481 -6.172 4.643 1.00 71.44 O ATOM 157 CB GLU A 11 -2.600 -8.139 7.290 1.00 73.20 C ATOM 158 CG GLU A 11 -3.276 -9.499 7.407 1.00 43.24 C ATOM 159 CD GLU A 11 -3.639 -9.855 8.834 1.00 25.41 C ATOM 160 OE1 GLU A 11 -2.730 -10.222 9.609 1.00 50.31 O ATOM 161 OE2 GLU A 11 -4.831 -9.774 9.188 1.00 44.31 O ATOM 0 H GLU A 11 -1.249 -6.096 6.701 1.00 2.01 H new ATOM 0 HA GLU A 11 -1.737 -8.663 5.404 1.00 41.34 H new ATOM 0 HB2 GLU A 11 -1.722 -8.124 7.936 1.00 73.20 H new ATOM 0 HB3 GLU A 11 -3.281 -7.373 7.660 1.00 73.20 H new ATOM 0 HG2 GLU A 11 -4.178 -9.505 6.796 1.00 43.24 H new ATOM 0 HG3 GLU A 11 -2.613 -10.265 7.004 1.00 43.24 H new ATOM 168 N ILE A 12 -4.285 -8.261 4.775 1.00 4.45 N ATOM 169 CA ILE A 12 -5.407 -8.001 3.884 1.00 24.32 C ATOM 170 C ILE A 12 -6.584 -7.377 4.626 1.00 40.14 C ATOM 171 O ILE A 12 -6.781 -7.618 5.819 1.00 21.31 O ATOM 172 CB ILE A 12 -5.874 -9.287 3.164 1.00 75.14 C ATOM 173 CG1 ILE A 12 -6.313 -10.351 4.176 1.00 3.23 C ATOM 174 CG2 ILE A 12 -4.759 -9.827 2.280 1.00 1.04 C ATOM 175 CD1 ILE A 12 -6.846 -11.618 3.536 1.00 62.51 C ATOM 0 H ILE A 12 -4.269 -9.201 5.171 1.00 4.45 H new ATOM 0 HA ILE A 12 -5.049 -7.292 3.138 1.00 24.32 H new ATOM 0 HB ILE A 12 -6.732 -9.038 2.539 1.00 75.14 H new ATOM 0 HG12 ILE A 12 -5.466 -10.605 4.813 1.00 3.23 H new ATOM 0 HG13 ILE A 12 -7.083 -9.929 4.822 1.00 3.23 H new ATOM 0 HG21 ILE A 12 -5.099 -10.733 1.778 1.00 1.04 H new ATOM 0 HG22 ILE A 12 -4.490 -9.078 1.535 1.00 1.04 H new ATOM 0 HG23 ILE A 12 -3.888 -10.057 2.893 1.00 1.04 H new ATOM 0 HD11 ILE A 12 -7.137 -12.324 4.314 1.00 62.51 H new ATOM 0 HD12 ILE A 12 -7.713 -11.378 2.921 1.00 62.51 H new ATOM 0 HD13 ILE A 12 -6.071 -12.064 2.912 1.00 62.51 H new ATOM 187 N LYS A 13 -7.354 -6.576 3.893 1.00 61.42 N ATOM 188 CA LYS A 13 -8.515 -5.872 4.426 1.00 42.31 C ATOM 189 C LYS A 13 -8.143 -4.998 5.614 1.00 53.25 C ATOM 190 O LYS A 13 -8.530 -5.254 6.755 1.00 22.43 O ATOM 191 CB LYS A 13 -9.647 -6.842 4.768 1.00 64.15 C ATOM 192 CG LYS A 13 -10.193 -7.545 3.537 1.00 64.43 C ATOM 193 CD LYS A 13 -11.497 -8.268 3.809 1.00 20.14 C ATOM 194 CE LYS A 13 -12.054 -8.849 2.523 1.00 33.43 C ATOM 195 NZ LYS A 13 -13.405 -9.440 2.705 1.00 31.01 N ATOM 0 H LYS A 13 -7.187 -6.397 2.903 1.00 61.42 H new ATOM 0 HA LYS A 13 -8.883 -5.208 3.644 1.00 42.31 H new ATOM 0 HB2 LYS A 13 -9.284 -7.585 5.478 1.00 64.15 H new ATOM 0 HB3 LYS A 13 -10.453 -6.298 5.261 1.00 64.15 H new ATOM 0 HG2 LYS A 13 -10.346 -6.814 2.743 1.00 64.43 H new ATOM 0 HG3 LYS A 13 -9.454 -8.260 3.174 1.00 64.43 H new ATOM 0 HD2 LYS A 13 -11.335 -9.064 4.536 1.00 20.14 H new ATOM 0 HD3 LYS A 13 -12.219 -7.579 4.247 1.00 20.14 H new ATOM 0 HE2 LYS A 13 -12.102 -8.067 1.765 1.00 33.43 H new ATOM 0 HE3 LYS A 13 -11.374 -9.614 2.149 1.00 33.43 H new ATOM 0 HZ1 LYS A 13 -13.741 -9.823 1.798 1.00 31.01 H new ATOM 0 HZ2 LYS A 13 -13.357 -10.205 3.408 1.00 31.01 H new ATOM 0 HZ3 LYS A 13 -14.063 -8.706 3.036 1.00 31.01 H new ATOM 209 N SER A 14 -7.348 -3.982 5.324 1.00 31.51 N ATOM 210 CA SER A 14 -6.972 -2.975 6.294 1.00 74.42 C ATOM 211 C SER A 14 -6.681 -1.663 5.573 1.00 35.41 C ATOM 212 O SER A 14 -6.405 -1.654 4.372 1.00 51.32 O ATOM 213 CB SER A 14 -5.741 -3.425 7.082 1.00 3.32 C ATOM 214 OG SER A 14 -6.001 -4.614 7.813 1.00 42.54 O ATOM 0 H SER A 14 -6.943 -3.834 4.399 1.00 31.51 H new ATOM 0 HA SER A 14 -7.794 -2.830 6.995 1.00 74.42 H new ATOM 0 HB2 SER A 14 -4.909 -3.591 6.397 1.00 3.32 H new ATOM 0 HB3 SER A 14 -5.436 -2.634 7.767 1.00 3.32 H new ATOM 0 HG SER A 14 -6.928 -4.894 7.662 1.00 42.54 H new ATOM 220 N LYS A 15 -6.757 -0.559 6.293 1.00 33.35 N ATOM 221 CA LYS A 15 -6.457 0.741 5.718 1.00 64.34 C ATOM 222 C LYS A 15 -5.109 1.233 6.211 1.00 2.23 C ATOM 223 O LYS A 15 -4.824 1.200 7.410 1.00 24.14 O ATOM 224 CB LYS A 15 -7.544 1.758 6.062 1.00 43.11 C ATOM 225 CG LYS A 15 -8.893 1.441 5.444 1.00 12.41 C ATOM 226 CD LYS A 15 -9.903 2.538 5.735 1.00 10.12 C ATOM 227 CE LYS A 15 -11.259 2.237 5.115 1.00 74.34 C ATOM 228 NZ LYS A 15 -11.885 1.024 5.702 1.00 4.15 N ATOM 0 H LYS A 15 -7.024 -0.536 7.277 1.00 33.35 H new ATOM 0 HA LYS A 15 -6.423 0.632 4.634 1.00 64.34 H new ATOM 0 HB2 LYS A 15 -7.653 1.808 7.145 1.00 43.11 H new ATOM 0 HB3 LYS A 15 -7.224 2.745 5.728 1.00 43.11 H new ATOM 0 HG2 LYS A 15 -8.783 1.321 4.366 1.00 12.41 H new ATOM 0 HG3 LYS A 15 -9.261 0.492 5.834 1.00 12.41 H new ATOM 0 HD2 LYS A 15 -10.014 2.653 6.813 1.00 10.12 H new ATOM 0 HD3 LYS A 15 -9.530 3.487 5.350 1.00 10.12 H new ATOM 0 HE2 LYS A 15 -11.920 3.091 5.259 1.00 74.34 H new ATOM 0 HE3 LYS A 15 -11.143 2.101 4.040 1.00 74.34 H new ATOM 0 HZ1 LYS A 15 -12.871 0.951 5.378 1.00 4.15 H new ATOM 0 HZ2 LYS A 15 -11.357 0.180 5.400 1.00 4.15 H new ATOM 0 HZ3 LYS A 15 -11.866 1.091 6.740 1.00 4.15 H new ATOM 242 N VAL A 16 -4.280 1.675 5.285 1.00 24.14 N ATOM 243 CA VAL A 16 -2.948 2.148 5.619 1.00 64.44 C ATOM 244 C VAL A 16 -2.706 3.525 5.033 1.00 61.10 C ATOM 245 O VAL A 16 -3.347 3.921 4.060 1.00 70.41 O ATOM 246 CB VAL A 16 -1.853 1.181 5.113 1.00 2.51 C ATOM 247 CG1 VAL A 16 -1.974 -0.176 5.789 1.00 43.33 C ATOM 248 CG2 VAL A 16 -1.923 1.031 3.603 1.00 54.53 C ATOM 0 H VAL A 16 -4.506 1.717 4.291 1.00 24.14 H new ATOM 0 HA VAL A 16 -2.891 2.197 6.706 1.00 64.44 H new ATOM 0 HB VAL A 16 -0.883 1.606 5.371 1.00 2.51 H new ATOM 0 HG11 VAL A 16 -1.193 -0.839 5.417 1.00 43.33 H new ATOM 0 HG12 VAL A 16 -1.865 -0.057 6.867 1.00 43.33 H new ATOM 0 HG13 VAL A 16 -2.951 -0.607 5.569 1.00 43.33 H new ATOM 0 HG21 VAL A 16 -1.144 0.346 3.269 1.00 54.53 H new ATOM 0 HG22 VAL A 16 -2.899 0.635 3.322 1.00 54.53 H new ATOM 0 HG23 VAL A 16 -1.777 2.004 3.134 1.00 54.53 H new ATOM 258 N LYS A 17 -1.797 4.256 5.643 1.00 73.45 N ATOM 259 CA LYS A 17 -1.432 5.570 5.158 1.00 41.03 C ATOM 260 C LYS A 17 0.038 5.600 4.805 1.00 2.14 C ATOM 261 O LYS A 17 0.870 5.009 5.498 1.00 22.45 O ATOM 262 CB LYS A 17 -1.746 6.633 6.204 1.00 41.21 C ATOM 263 CG LYS A 17 -1.283 8.034 5.828 1.00 1.33 C ATOM 264 CD LYS A 17 -1.834 9.088 6.776 1.00 10.42 C ATOM 265 CE LYS A 17 -3.328 9.288 6.571 1.00 13.31 C ATOM 266 NZ LYS A 17 -3.901 10.251 7.546 1.00 31.33 N ATOM 0 H LYS A 17 -1.295 3.960 6.480 1.00 73.45 H new ATOM 0 HA LYS A 17 -2.016 5.786 4.263 1.00 41.03 H new ATOM 0 HB2 LYS A 17 -2.822 6.652 6.375 1.00 41.21 H new ATOM 0 HB3 LYS A 17 -1.278 6.349 7.147 1.00 41.21 H new ATOM 0 HG2 LYS A 17 -0.194 8.071 5.838 1.00 1.33 H new ATOM 0 HG3 LYS A 17 -1.600 8.260 4.810 1.00 1.33 H new ATOM 0 HD2 LYS A 17 -1.643 8.789 7.807 1.00 10.42 H new ATOM 0 HD3 LYS A 17 -1.313 10.032 6.616 1.00 10.42 H new ATOM 0 HE2 LYS A 17 -3.510 9.647 5.558 1.00 13.31 H new ATOM 0 HE3 LYS A 17 -3.838 8.329 6.666 1.00 13.31 H new ATOM 0 HZ1 LYS A 17 -4.921 10.358 7.370 1.00 31.33 H new ATOM 0 HZ2 LYS A 17 -3.751 9.897 8.512 1.00 31.33 H new ATOM 0 HZ3 LYS A 17 -3.433 11.174 7.439 1.00 31.33 H new ATOM 280 N VAL A 18 0.347 6.291 3.730 1.00 72.30 N ATOM 281 CA VAL A 18 1.711 6.385 3.252 1.00 4.32 C ATOM 282 C VAL A 18 2.521 7.320 4.138 1.00 1.13 C ATOM 283 O VAL A 18 2.439 8.544 4.011 1.00 22.42 O ATOM 284 CB VAL A 18 1.774 6.880 1.795 1.00 1.31 C ATOM 285 CG1 VAL A 18 3.204 6.869 1.278 1.00 50.42 C ATOM 286 CG2 VAL A 18 0.877 6.034 0.907 1.00 14.12 C ATOM 0 H VAL A 18 -0.333 6.800 3.166 1.00 72.30 H new ATOM 0 HA VAL A 18 2.135 5.382 3.291 1.00 4.32 H new ATOM 0 HB VAL A 18 1.415 7.909 1.770 1.00 1.31 H new ATOM 0 HG11 VAL A 18 3.221 7.223 0.247 1.00 50.42 H new ATOM 0 HG12 VAL A 18 3.819 7.523 1.896 1.00 50.42 H new ATOM 0 HG13 VAL A 18 3.598 5.854 1.320 1.00 50.42 H new ATOM 0 HG21 VAL A 18 0.934 6.398 -0.119 1.00 14.12 H new ATOM 0 HG22 VAL A 18 1.205 4.995 0.943 1.00 14.12 H new ATOM 0 HG23 VAL A 18 -0.152 6.102 1.260 1.00 14.12 H new ATOM 296 N ILE A 19 3.247 6.730 5.075 1.00 44.32 N ATOM 297 CA ILE A 19 4.174 7.477 5.914 1.00 2.54 C ATOM 298 C ILE A 19 5.269 8.097 5.056 1.00 55.13 C ATOM 299 O ILE A 19 5.660 9.246 5.258 1.00 73.23 O ATOM 300 CB ILE A 19 4.832 6.577 6.982 1.00 41.32 C ATOM 301 CG1 ILE A 19 3.770 5.787 7.748 1.00 14.25 C ATOM 302 CG2 ILE A 19 5.673 7.414 7.940 1.00 15.24 C ATOM 303 CD1 ILE A 19 4.339 4.914 8.847 1.00 60.44 C ATOM 0 H ILE A 19 3.212 5.730 5.275 1.00 44.32 H new ATOM 0 HA ILE A 19 3.600 8.254 6.419 1.00 2.54 H new ATOM 0 HB ILE A 19 5.488 5.868 6.478 1.00 41.32 H new ATOM 0 HG12 ILE A 19 3.054 6.484 8.183 1.00 14.25 H new ATOM 0 HG13 ILE A 19 3.219 5.161 7.047 1.00 14.25 H new ATOM 0 HG21 ILE A 19 6.130 6.764 8.686 1.00 15.24 H new ATOM 0 HG22 ILE A 19 6.454 7.931 7.382 1.00 15.24 H new ATOM 0 HG23 ILE A 19 5.037 8.147 8.437 1.00 15.24 H new ATOM 0 HD11 ILE A 19 3.528 4.384 9.347 1.00 60.44 H new ATOM 0 HD12 ILE A 19 5.033 4.192 8.416 1.00 60.44 H new ATOM 0 HD13 ILE A 19 4.866 5.537 9.570 1.00 60.44 H new ATOM 315 N GLY A 20 5.756 7.322 4.096 1.00 23.21 N ATOM 316 CA GLY A 20 6.774 7.815 3.203 1.00 31.30 C ATOM 317 C GLY A 20 7.094 6.843 2.092 1.00 70.11 C ATOM 318 O GLY A 20 6.715 5.669 2.136 1.00 50.52 O ATOM 0 H GLY A 20 5.461 6.361 3.923 1.00 23.21 H new ATOM 0 HA2 GLY A 20 6.446 8.760 2.770 1.00 31.30 H new ATOM 0 HA3 GLY A 20 7.681 8.023 3.771 1.00 31.30 H new ATOM 322 N ILE A 21 7.791 7.345 1.098 1.00 35.04 N ATOM 323 CA ILE A 21 8.211 6.560 -0.047 1.00 33.22 C ATOM 324 C ILE A 21 9.719 6.321 0.052 1.00 2.03 C ATOM 325 O ILE A 21 10.401 7.022 0.796 1.00 65.04 O ATOM 326 CB ILE A 21 7.844 7.279 -1.372 1.00 41.22 C ATOM 327 CG1 ILE A 21 6.334 7.552 -1.416 1.00 14.45 C ATOM 328 CG2 ILE A 21 8.270 6.461 -2.591 1.00 4.12 C ATOM 329 CD1 ILE A 21 5.874 8.236 -2.685 1.00 73.22 C ATOM 0 H ILE A 21 8.087 8.320 1.059 1.00 35.04 H new ATOM 0 HA ILE A 21 7.692 5.602 -0.047 1.00 33.22 H new ATOM 0 HB ILE A 21 8.384 8.225 -1.404 1.00 41.22 H new ATOM 0 HG12 ILE A 21 5.800 6.608 -1.309 1.00 14.45 H new ATOM 0 HG13 ILE A 21 6.061 8.171 -0.561 1.00 14.45 H new ATOM 0 HG21 ILE A 21 7.997 6.995 -3.501 1.00 4.12 H new ATOM 0 HG22 ILE A 21 9.349 6.310 -2.569 1.00 4.12 H new ATOM 0 HG23 ILE A 21 7.768 5.494 -2.574 1.00 4.12 H new ATOM 0 HD11 ILE A 21 4.797 8.395 -2.642 1.00 73.22 H new ATOM 0 HD12 ILE A 21 6.379 9.197 -2.784 1.00 73.22 H new ATOM 0 HD13 ILE A 21 6.114 7.609 -3.544 1.00 73.22 H new ATOM 341 N VAL A 22 10.227 5.317 -0.652 1.00 3.42 N ATOM 342 CA VAL A 22 11.651 4.999 -0.632 1.00 34.23 C ATOM 343 C VAL A 22 12.327 5.593 -1.870 1.00 64.52 C ATOM 344 O VAL A 22 12.355 4.975 -2.937 1.00 33.43 O ATOM 345 CB VAL A 22 11.900 3.474 -0.579 1.00 22.10 C ATOM 346 CG1 VAL A 22 13.389 3.168 -0.501 1.00 41.44 C ATOM 347 CG2 VAL A 22 11.162 2.850 0.596 1.00 60.31 C ATOM 0 H VAL A 22 9.670 4.705 -1.248 1.00 3.42 H new ATOM 0 HA VAL A 22 12.078 5.435 0.271 1.00 34.23 H new ATOM 0 HB VAL A 22 11.513 3.037 -1.499 1.00 22.10 H new ATOM 0 HG11 VAL A 22 13.537 2.089 -0.465 1.00 41.44 H new ATOM 0 HG12 VAL A 22 13.890 3.574 -1.380 1.00 41.44 H new ATOM 0 HG13 VAL A 22 13.807 3.622 0.397 1.00 41.44 H new ATOM 0 HG21 VAL A 22 11.350 1.777 0.615 1.00 60.31 H new ATOM 0 HG22 VAL A 22 11.514 3.297 1.526 1.00 60.31 H new ATOM 0 HG23 VAL A 22 10.092 3.029 0.490 1.00 60.31 H new ATOM 357 N PRO A 23 12.826 6.842 -1.738 1.00 62.15 N ATOM 358 CA PRO A 23 13.331 7.646 -2.861 1.00 73.34 C ATOM 359 C PRO A 23 14.442 6.962 -3.649 1.00 1.21 C ATOM 360 O PRO A 23 15.016 5.962 -3.207 1.00 20.24 O ATOM 361 CB PRO A 23 13.868 8.914 -2.192 1.00 71.31 C ATOM 362 CG PRO A 23 13.170 8.977 -0.885 1.00 50.31 C ATOM 363 CD PRO A 23 12.984 7.552 -0.462 1.00 43.43 C ATOM 0 HA PRO A 23 12.543 7.825 -3.593 1.00 73.34 H new ATOM 0 HB2 PRO A 23 14.949 8.865 -2.061 1.00 71.31 H new ATOM 0 HB3 PRO A 23 13.660 9.798 -2.795 1.00 71.31 H new ATOM 0 HG2 PRO A 23 13.758 9.530 -0.152 1.00 50.31 H new ATOM 0 HG3 PRO A 23 12.211 9.488 -0.976 1.00 50.31 H new ATOM 0 HD2 PRO A 23 13.842 7.184 0.100 1.00 43.43 H new ATOM 0 HD3 PRO A 23 12.109 7.432 0.177 1.00 43.43 H new ATOM 371 N GLU A 24 14.737 7.526 -4.819 1.00 54.14 N ATOM 372 CA GLU A 24 15.697 6.958 -5.763 1.00 54.42 C ATOM 373 C GLU A 24 15.187 5.620 -6.293 1.00 64.03 C ATOM 374 O GLU A 24 15.930 4.839 -6.892 1.00 4.12 O ATOM 375 CB GLU A 24 17.082 6.807 -5.121 1.00 72.53 C ATOM 376 CG GLU A 24 18.218 6.773 -6.130 1.00 12.04 C ATOM 377 CD GLU A 24 19.571 6.633 -5.475 1.00 31.22 C ATOM 378 OE1 GLU A 24 20.001 5.486 -5.230 1.00 52.24 O ATOM 379 OE2 GLU A 24 20.211 7.664 -5.199 1.00 4.33 O ATOM 0 H GLU A 24 14.313 8.396 -5.141 1.00 54.14 H new ATOM 0 HA GLU A 24 15.800 7.644 -6.603 1.00 54.42 H new ATOM 0 HB2 GLU A 24 17.245 7.634 -4.430 1.00 72.53 H new ATOM 0 HB3 GLU A 24 17.103 5.890 -4.532 1.00 72.53 H new ATOM 0 HG2 GLU A 24 18.064 5.942 -6.818 1.00 12.04 H new ATOM 0 HG3 GLU A 24 18.199 7.686 -6.724 1.00 12.04 H new ATOM 386 N SER A 25 13.899 5.383 -6.076 1.00 51.41 N ATOM 387 CA SER A 25 13.232 4.194 -6.569 1.00 75.53 C ATOM 388 C SER A 25 13.158 4.239 -8.084 1.00 41.34 C ATOM 389 O SER A 25 13.144 5.318 -8.678 1.00 53.43 O ATOM 390 CB SER A 25 11.817 4.110 -5.985 1.00 3.52 C ATOM 391 OG SER A 25 11.102 3.012 -6.514 1.00 41.02 O ATOM 0 H SER A 25 13.291 6.013 -5.552 1.00 51.41 H new ATOM 0 HA SER A 25 13.798 3.314 -6.262 1.00 75.53 H new ATOM 0 HB2 SER A 25 11.875 4.019 -4.900 1.00 3.52 H new ATOM 0 HB3 SER A 25 11.279 5.033 -6.199 1.00 3.52 H new ATOM 0 HG SER A 25 10.872 2.392 -5.791 1.00 41.02 H new ATOM 397 N LYS A 26 13.108 3.077 -8.710 1.00 40.45 N ATOM 398 CA LYS A 26 12.971 3.017 -10.151 1.00 31.13 C ATOM 399 C LYS A 26 11.493 3.041 -10.514 1.00 54.44 C ATOM 400 O LYS A 26 11.121 3.314 -11.655 1.00 24.41 O ATOM 401 CB LYS A 26 13.641 1.759 -10.708 1.00 30.04 C ATOM 402 CG LYS A 26 14.086 1.902 -12.155 1.00 21.25 C ATOM 403 CD LYS A 26 15.173 2.960 -12.290 1.00 23.12 C ATOM 404 CE LYS A 26 15.593 3.171 -13.737 1.00 2.23 C ATOM 405 NZ LYS A 26 14.490 3.723 -14.568 1.00 4.02 N ATOM 0 H LYS A 26 13.160 2.170 -8.246 1.00 40.45 H new ATOM 0 HA LYS A 26 13.466 3.881 -10.594 1.00 31.13 H new ATOM 0 HB2 LYS A 26 14.506 1.514 -10.092 1.00 30.04 H new ATOM 0 HB3 LYS A 26 12.947 0.922 -10.630 1.00 30.04 H new ATOM 0 HG2 LYS A 26 14.458 0.945 -12.521 1.00 21.25 H new ATOM 0 HG3 LYS A 26 13.232 2.171 -12.777 1.00 21.25 H new ATOM 0 HD2 LYS A 26 14.814 3.902 -11.877 1.00 23.12 H new ATOM 0 HD3 LYS A 26 16.041 2.664 -11.701 1.00 23.12 H new ATOM 0 HE2 LYS A 26 16.445 3.850 -13.771 1.00 2.23 H new ATOM 0 HE3 LYS A 26 15.924 2.222 -14.159 1.00 2.23 H new ATOM 0 HZ1 LYS A 26 14.867 4.024 -15.490 1.00 4.02 H new ATOM 0 HZ2 LYS A 26 13.765 2.992 -14.712 1.00 4.02 H new ATOM 0 HZ3 LYS A 26 14.066 4.540 -14.084 1.00 4.02 H new ATOM 419 N VAL A 27 10.653 2.768 -9.521 1.00 61.03 N ATOM 420 CA VAL A 27 9.212 2.750 -9.724 1.00 65.35 C ATOM 421 C VAL A 27 8.521 3.881 -8.967 1.00 73.55 C ATOM 422 O VAL A 27 7.294 3.981 -8.980 1.00 33.33 O ATOM 423 CB VAL A 27 8.594 1.400 -9.308 1.00 52.31 C ATOM 424 CG1 VAL A 27 9.118 0.281 -10.195 1.00 2.04 C ATOM 425 CG2 VAL A 27 8.873 1.102 -7.843 1.00 25.31 C ATOM 0 H VAL A 27 10.947 2.556 -8.568 1.00 61.03 H new ATOM 0 HA VAL A 27 9.051 2.894 -10.792 1.00 65.35 H new ATOM 0 HB VAL A 27 7.514 1.465 -9.436 1.00 52.31 H new ATOM 0 HG11 VAL A 27 8.672 -0.665 -9.888 1.00 2.04 H new ATOM 0 HG12 VAL A 27 8.856 0.486 -11.233 1.00 2.04 H new ATOM 0 HG13 VAL A 27 10.202 0.219 -10.100 1.00 2.04 H new ATOM 0 HG21 VAL A 27 8.426 0.144 -7.575 1.00 25.31 H new ATOM 0 HG22 VAL A 27 9.950 1.059 -7.679 1.00 25.31 H new ATOM 0 HG23 VAL A 27 8.443 1.889 -7.223 1.00 25.31 H new ATOM 435 N ARG A 28 9.311 4.730 -8.309 1.00 13.32 N ATOM 436 CA ARG A 28 8.785 5.929 -7.652 1.00 43.21 C ATOM 437 C ARG A 28 7.940 6.738 -8.634 1.00 54.44 C ATOM 438 O ARG A 28 6.882 7.253 -8.278 1.00 50.33 O ATOM 439 CB ARG A 28 9.942 6.781 -7.099 1.00 30.20 C ATOM 440 CG ARG A 28 9.514 7.974 -6.244 1.00 41.21 C ATOM 441 CD ARG A 28 9.159 9.197 -7.080 1.00 10.30 C ATOM 442 NE ARG A 28 8.800 10.342 -6.241 1.00 11.32 N ATOM 443 CZ ARG A 28 8.568 11.572 -6.701 1.00 52.32 C ATOM 444 NH1 ARG A 28 8.610 11.824 -8.002 1.00 64.10 N ATOM 445 NH2 ARG A 28 8.261 12.544 -5.851 1.00 40.55 N ATOM 0 H ARG A 28 10.320 4.610 -8.216 1.00 13.32 H new ATOM 0 HA ARG A 28 8.151 5.628 -6.818 1.00 43.21 H new ATOM 0 HB2 ARG A 28 10.592 6.141 -6.503 1.00 30.20 H new ATOM 0 HB3 ARG A 28 10.536 7.148 -7.936 1.00 30.20 H new ATOM 0 HG2 ARG A 28 8.654 7.691 -5.637 1.00 41.21 H new ATOM 0 HG3 ARG A 28 10.319 8.230 -5.556 1.00 41.21 H new ATOM 0 HD2 ARG A 28 10.005 9.462 -7.714 1.00 10.30 H new ATOM 0 HD3 ARG A 28 8.327 8.956 -7.742 1.00 10.30 H new ATOM 0 HE ARG A 28 8.722 10.188 -5.236 1.00 11.32 H new ATOM 0 HH11 ARG A 28 8.821 11.074 -8.660 1.00 64.10 H new ATOM 0 HH12 ARG A 28 8.431 12.768 -8.345 1.00 64.10 H new ATOM 0 HH21 ARG A 28 8.204 12.348 -4.852 1.00 40.55 H new ATOM 0 HH22 ARG A 28 8.083 13.487 -6.197 1.00 40.55 H new ATOM 459 N ARG A 29 8.414 6.834 -9.872 1.00 30.01 N ATOM 460 CA ARG A 29 7.687 7.527 -10.930 1.00 24.22 C ATOM 461 C ARG A 29 6.307 6.902 -11.133 1.00 40.31 C ATOM 462 O ARG A 29 5.311 7.610 -11.258 1.00 40.22 O ATOM 463 CB ARG A 29 8.510 7.493 -12.229 1.00 61.01 C ATOM 464 CG ARG A 29 7.926 8.297 -13.387 1.00 61.41 C ATOM 465 CD ARG A 29 6.846 7.527 -14.133 1.00 1.02 C ATOM 466 NE ARG A 29 6.337 8.258 -15.293 1.00 51.40 N ATOM 467 CZ ARG A 29 5.463 7.755 -16.159 1.00 1.43 C ATOM 468 NH1 ARG A 29 4.989 6.525 -15.984 1.00 63.14 N ATOM 469 NH2 ARG A 29 5.068 8.476 -17.200 1.00 54.32 N ATOM 0 H ARG A 29 9.306 6.437 -10.169 1.00 30.01 H new ATOM 0 HA ARG A 29 7.537 8.567 -10.641 1.00 24.22 H new ATOM 0 HB2 ARG A 29 9.511 7.867 -12.016 1.00 61.01 H new ATOM 0 HB3 ARG A 29 8.618 6.456 -12.545 1.00 61.01 H new ATOM 0 HG2 ARG A 29 7.508 9.229 -13.006 1.00 61.41 H new ATOM 0 HG3 ARG A 29 8.724 8.565 -14.080 1.00 61.41 H new ATOM 0 HD2 ARG A 29 7.248 6.568 -14.460 1.00 1.02 H new ATOM 0 HD3 ARG A 29 6.022 7.312 -13.453 1.00 1.02 H new ATOM 0 HE ARG A 29 6.672 9.209 -15.446 1.00 51.40 H new ATOM 0 HH11 ARG A 29 5.296 5.969 -15.186 1.00 63.14 H new ATOM 0 HH12 ARG A 29 4.318 6.138 -16.648 1.00 63.14 H new ATOM 0 HH21 ARG A 29 5.435 9.418 -17.337 1.00 54.32 H new ATOM 0 HH22 ARG A 29 4.397 8.089 -17.864 1.00 54.32 H new ATOM 483 N LYS A 30 6.264 5.576 -11.150 1.00 11.42 N ATOM 484 CA LYS A 30 5.015 4.837 -11.325 1.00 71.00 C ATOM 485 C LYS A 30 4.064 5.123 -10.164 1.00 11.03 C ATOM 486 O LYS A 30 2.884 5.407 -10.361 1.00 24.32 O ATOM 487 CB LYS A 30 5.316 3.335 -11.408 1.00 11.32 C ATOM 488 CG LYS A 30 4.103 2.464 -11.702 1.00 31.43 C ATOM 489 CD LYS A 30 4.497 0.997 -11.815 1.00 54.31 C ATOM 490 CE LYS A 30 3.291 0.105 -12.066 1.00 54.30 C ATOM 491 NZ LYS A 30 3.669 -1.333 -12.192 1.00 0.02 N ATOM 0 H LYS A 30 7.087 4.983 -11.044 1.00 11.42 H new ATOM 0 HA LYS A 30 4.535 5.158 -12.250 1.00 71.00 H new ATOM 0 HB2 LYS A 30 6.063 3.169 -12.184 1.00 11.32 H new ATOM 0 HB3 LYS A 30 5.759 3.013 -10.465 1.00 11.32 H new ATOM 0 HG2 LYS A 30 3.364 2.585 -10.910 1.00 31.43 H new ATOM 0 HG3 LYS A 30 3.633 2.790 -12.630 1.00 31.43 H new ATOM 0 HD2 LYS A 30 5.214 0.875 -12.627 1.00 54.31 H new ATOM 0 HD3 LYS A 30 4.996 0.683 -10.898 1.00 54.31 H new ATOM 0 HE2 LYS A 30 2.579 0.221 -11.249 1.00 54.30 H new ATOM 0 HE3 LYS A 30 2.786 0.427 -12.977 1.00 54.30 H new ATOM 0 HZ1 LYS A 30 2.866 -1.871 -12.576 1.00 0.02 H new ATOM 0 HZ2 LYS A 30 4.484 -1.423 -12.832 1.00 0.02 H new ATOM 0 HZ3 LYS A 30 3.921 -1.709 -11.256 1.00 0.02 H new ATOM 505 N ILE A 31 4.609 5.060 -8.956 1.00 73.32 N ATOM 506 CA ILE A 31 3.853 5.327 -7.734 1.00 54.21 C ATOM 507 C ILE A 31 3.330 6.765 -7.708 1.00 44.13 C ATOM 508 O ILE A 31 2.160 7.011 -7.401 1.00 74.44 O ATOM 509 CB ILE A 31 4.742 5.079 -6.491 1.00 71.25 C ATOM 510 CG1 ILE A 31 5.244 3.632 -6.486 1.00 12.13 C ATOM 511 CG2 ILE A 31 3.983 5.391 -5.209 1.00 15.21 C ATOM 512 CD1 ILE A 31 6.271 3.345 -5.413 1.00 74.55 C ATOM 0 H ILE A 31 5.588 4.823 -8.793 1.00 73.32 H new ATOM 0 HA ILE A 31 3.000 4.648 -7.716 1.00 54.21 H new ATOM 0 HB ILE A 31 5.601 5.748 -6.540 1.00 71.25 H new ATOM 0 HG12 ILE A 31 4.394 2.963 -6.350 1.00 12.13 H new ATOM 0 HG13 ILE A 31 5.677 3.404 -7.460 1.00 12.13 H new ATOM 0 HG21 ILE A 31 4.629 5.209 -4.350 1.00 15.21 H new ATOM 0 HG22 ILE A 31 3.673 6.436 -5.215 1.00 15.21 H new ATOM 0 HG23 ILE A 31 3.103 4.752 -5.143 1.00 15.21 H new ATOM 0 HD11 ILE A 31 6.578 2.301 -5.473 1.00 74.55 H new ATOM 0 HD12 ILE A 31 7.139 3.988 -5.559 1.00 74.55 H new ATOM 0 HD13 ILE A 31 5.837 3.540 -4.432 1.00 74.55 H new ATOM 524 N MET A 32 4.201 7.708 -8.043 1.00 73.24 N ATOM 525 CA MET A 32 3.840 9.120 -8.065 1.00 62.55 C ATOM 526 C MET A 32 2.793 9.388 -9.140 1.00 14.53 C ATOM 527 O MET A 32 1.852 10.159 -8.933 1.00 2.21 O ATOM 528 CB MET A 32 5.081 9.978 -8.317 1.00 71.01 C ATOM 529 CG MET A 32 5.173 11.211 -7.432 1.00 33.15 C ATOM 530 SD MET A 32 3.915 12.447 -7.809 1.00 4.41 S ATOM 531 CE MET A 32 4.302 13.697 -6.586 1.00 33.15 C ATOM 0 H MET A 32 5.169 7.519 -8.305 1.00 73.24 H new ATOM 0 HA MET A 32 3.418 9.383 -7.095 1.00 62.55 H new ATOM 0 HB2 MET A 32 5.970 9.366 -8.163 1.00 71.01 H new ATOM 0 HB3 MET A 32 5.087 10.292 -9.361 1.00 71.01 H new ATOM 0 HG2 MET A 32 5.077 10.910 -6.389 1.00 33.15 H new ATOM 0 HG3 MET A 32 6.160 11.659 -7.545 1.00 33.15 H new ATOM 0 HE1 MET A 32 3.519 14.455 -6.580 1.00 33.15 H new ATOM 0 HE2 MET A 32 4.367 13.235 -5.601 1.00 33.15 H new ATOM 0 HE3 MET A 32 5.256 14.163 -6.832 1.00 33.15 H new ATOM 541 N ASP A 33 2.959 8.735 -10.284 1.00 72.01 N ATOM 542 CA ASP A 33 2.020 8.868 -11.392 1.00 61.34 C ATOM 543 C ASP A 33 0.643 8.339 -11.006 1.00 32.55 C ATOM 544 O ASP A 33 -0.380 8.932 -11.347 1.00 13.02 O ATOM 545 CB ASP A 33 2.537 8.121 -12.621 1.00 14.32 C ATOM 546 CG ASP A 33 1.531 8.103 -13.749 1.00 42.25 C ATOM 547 OD1 ASP A 33 1.292 9.168 -14.356 1.00 44.24 O ATOM 548 OD2 ASP A 33 0.978 7.021 -14.036 1.00 63.32 O ATOM 0 H ASP A 33 3.739 8.105 -10.469 1.00 72.01 H new ATOM 0 HA ASP A 33 1.930 9.928 -11.631 1.00 61.34 H new ATOM 0 HB2 ASP A 33 3.458 8.590 -12.967 1.00 14.32 H new ATOM 0 HB3 ASP A 33 2.785 7.097 -12.343 1.00 14.32 H new ATOM 553 N MET A 34 0.625 7.232 -10.276 1.00 40.44 N ATOM 554 CA MET A 34 -0.626 6.634 -9.818 1.00 51.00 C ATOM 555 C MET A 34 -1.301 7.493 -8.752 1.00 55.31 C ATOM 556 O MET A 34 -2.471 7.293 -8.428 1.00 12.45 O ATOM 557 CB MET A 34 -0.378 5.219 -9.300 1.00 74.34 C ATOM 558 CG MET A 34 -0.205 4.204 -10.416 1.00 72.31 C ATOM 559 SD MET A 34 0.027 2.525 -9.810 1.00 32.40 S ATOM 560 CE MET A 34 0.032 1.624 -11.356 1.00 53.10 C ATOM 0 H MET A 34 1.463 6.728 -9.987 1.00 40.44 H new ATOM 0 HA MET A 34 -1.304 6.580 -10.669 1.00 51.00 H new ATOM 0 HB2 MET A 34 0.514 5.218 -8.673 1.00 74.34 H new ATOM 0 HB3 MET A 34 -1.213 4.917 -8.667 1.00 74.34 H new ATOM 0 HG2 MET A 34 -1.081 4.233 -11.065 1.00 72.31 H new ATOM 0 HG3 MET A 34 0.653 4.486 -11.026 1.00 72.31 H new ATOM 0 HE1 MET A 34 0.167 0.561 -11.157 1.00 53.10 H new ATOM 0 HE2 MET A 34 -0.916 1.779 -11.871 1.00 53.10 H new ATOM 0 HE3 MET A 34 0.848 1.982 -11.983 1.00 53.10 H new ATOM 570 N GLY A 35 -0.563 8.454 -8.220 1.00 14.35 N ATOM 571 CA GLY A 35 -1.143 9.401 -7.293 1.00 3.31 C ATOM 572 C GLY A 35 -0.950 9.003 -5.849 1.00 21.32 C ATOM 573 O GLY A 35 -1.836 9.210 -5.019 1.00 50.34 O ATOM 0 H GLY A 35 0.428 8.595 -8.414 1.00 14.35 H new ATOM 0 HA2 GLY A 35 -0.697 10.382 -7.457 1.00 3.31 H new ATOM 0 HA3 GLY A 35 -2.209 9.497 -7.499 1.00 3.31 H new ATOM 577 N ILE A 36 0.200 8.429 -5.543 1.00 1.14 N ATOM 578 CA ILE A 36 0.517 8.052 -4.176 1.00 43.33 C ATOM 579 C ILE A 36 1.612 8.949 -3.621 1.00 35.54 C ATOM 580 O ILE A 36 2.689 9.067 -4.206 1.00 73.33 O ATOM 581 CB ILE A 36 0.986 6.592 -4.080 1.00 45.34 C ATOM 582 CG1 ILE A 36 0.001 5.669 -4.795 1.00 34.23 C ATOM 583 CG2 ILE A 36 1.151 6.178 -2.624 1.00 42.51 C ATOM 584 CD1 ILE A 36 0.511 4.253 -4.972 1.00 2.50 C ATOM 0 H ILE A 36 0.930 8.214 -6.222 1.00 1.14 H new ATOM 0 HA ILE A 36 -0.398 8.166 -3.594 1.00 43.33 H new ATOM 0 HB ILE A 36 1.956 6.507 -4.570 1.00 45.34 H new ATOM 0 HG12 ILE A 36 -0.932 5.642 -4.232 1.00 34.23 H new ATOM 0 HG13 ILE A 36 -0.230 6.088 -5.775 1.00 34.23 H new ATOM 0 HG21 ILE A 36 1.484 5.141 -2.576 1.00 42.51 H new ATOM 0 HG22 ILE A 36 1.891 6.819 -2.145 1.00 42.51 H new ATOM 0 HG23 ILE A 36 0.196 6.277 -2.107 1.00 42.51 H new ATOM 0 HD11 ILE A 36 -0.242 3.657 -5.487 1.00 2.50 H new ATOM 0 HD12 ILE A 36 1.428 4.267 -5.561 1.00 2.50 H new ATOM 0 HD13 ILE A 36 0.715 3.815 -3.995 1.00 2.50 H new ATOM 596 N VAL A 37 1.322 9.573 -2.495 1.00 74.32 N ATOM 597 CA VAL A 37 2.274 10.442 -1.814 1.00 42.45 C ATOM 598 C VAL A 37 2.094 10.319 -0.307 1.00 24.52 C ATOM 599 O VAL A 37 1.201 9.608 0.161 1.00 44.21 O ATOM 600 CB VAL A 37 2.127 11.933 -2.223 1.00 10.33 C ATOM 601 CG1 VAL A 37 2.537 12.154 -3.673 1.00 62.14 C ATOM 602 CG2 VAL A 37 0.708 12.425 -1.990 1.00 51.23 C ATOM 0 H VAL A 37 0.421 9.494 -2.023 1.00 74.32 H new ATOM 0 HA VAL A 37 3.270 10.116 -2.112 1.00 42.45 H new ATOM 0 HB VAL A 37 2.800 12.513 -1.591 1.00 10.33 H new ATOM 0 HG11 VAL A 37 2.422 13.208 -3.927 1.00 62.14 H new ATOM 0 HG12 VAL A 37 3.578 11.860 -3.806 1.00 62.14 H new ATOM 0 HG13 VAL A 37 1.904 11.552 -4.326 1.00 62.14 H new ATOM 0 HG21 VAL A 37 0.633 13.472 -2.285 1.00 51.23 H new ATOM 0 HG22 VAL A 37 0.014 11.830 -2.584 1.00 51.23 H new ATOM 0 HG23 VAL A 37 0.458 12.327 -0.934 1.00 51.23 H new ATOM 612 N ARG A 38 2.933 11.016 0.446 1.00 21.35 N ATOM 613 CA ARG A 38 2.871 10.976 1.899 1.00 74.03 C ATOM 614 C ARG A 38 1.552 11.568 2.385 1.00 35.04 C ATOM 615 O ARG A 38 1.154 12.658 1.964 1.00 62.02 O ATOM 616 CB ARG A 38 4.068 11.729 2.504 1.00 31.32 C ATOM 617 CG ARG A 38 4.141 11.687 4.029 1.00 64.23 C ATOM 618 CD ARG A 38 3.281 12.765 4.673 1.00 63.51 C ATOM 619 NE ARG A 38 3.277 12.679 6.131 1.00 21.42 N ATOM 620 CZ ARG A 38 2.611 13.520 6.921 1.00 74.21 C ATOM 621 NH1 ARG A 38 1.892 14.503 6.393 1.00 62.31 N ATOM 622 NH2 ARG A 38 2.657 13.369 8.238 1.00 42.13 N ATOM 0 H ARG A 38 3.667 11.618 0.073 1.00 21.35 H new ATOM 0 HA ARG A 38 2.921 9.938 2.228 1.00 74.03 H new ATOM 0 HB2 ARG A 38 4.988 11.308 2.098 1.00 31.32 H new ATOM 0 HB3 ARG A 38 4.025 12.770 2.184 1.00 31.32 H new ATOM 0 HG2 ARG A 38 3.817 10.707 4.380 1.00 64.23 H new ATOM 0 HG3 ARG A 38 5.176 11.813 4.346 1.00 64.23 H new ATOM 0 HD2 ARG A 38 3.647 13.746 4.371 1.00 63.51 H new ATOM 0 HD3 ARG A 38 2.259 12.679 4.304 1.00 63.51 H new ATOM 0 HE ARG A 38 3.815 11.932 6.570 1.00 21.42 H new ATOM 0 HH11 ARG A 38 1.848 14.616 5.380 1.00 62.31 H new ATOM 0 HH12 ARG A 38 1.383 15.145 7.000 1.00 62.31 H new ATOM 0 HH21 ARG A 38 3.202 12.609 8.645 1.00 42.13 H new ATOM 0 HH22 ARG A 38 2.147 14.013 8.843 1.00 42.13 H new ATOM 636 N GLY A 39 0.877 10.837 3.260 1.00 30.02 N ATOM 637 CA GLY A 39 -0.371 11.312 3.823 1.00 5.23 C ATOM 638 C GLY A 39 -1.581 10.723 3.134 1.00 14.11 C ATOM 639 O GLY A 39 -2.693 10.792 3.656 1.00 71.32 O ATOM 0 H GLY A 39 1.173 9.919 3.592 1.00 30.02 H new ATOM 0 HA2 GLY A 39 -0.405 11.063 4.884 1.00 5.23 H new ATOM 0 HA3 GLY A 39 -0.408 12.399 3.749 1.00 5.23 H new ATOM 643 N THR A 40 -1.372 10.151 1.958 1.00 42.03 N ATOM 644 CA THR A 40 -2.451 9.511 1.230 1.00 33.20 C ATOM 645 C THR A 40 -2.718 8.125 1.807 1.00 14.13 C ATOM 646 O THR A 40 -1.808 7.468 2.317 1.00 22.32 O ATOM 647 CB THR A 40 -2.125 9.396 -0.271 1.00 12.12 C ATOM 648 OG1 THR A 40 -1.635 10.656 -0.754 1.00 65.40 O ATOM 649 CG2 THR A 40 -3.356 8.995 -1.076 1.00 35.32 C ATOM 0 H THR A 40 -0.466 10.118 1.490 1.00 42.03 H new ATOM 0 HA THR A 40 -3.342 10.130 1.337 1.00 33.20 H new ATOM 0 HB THR A 40 -1.366 8.624 -0.394 1.00 12.12 H new ATOM 0 HG1 THR A 40 -1.577 10.631 -1.732 1.00 65.40 H new ATOM 0 HG21 THR A 40 -3.093 8.922 -2.131 1.00 35.32 H new ATOM 0 HG22 THR A 40 -3.721 8.030 -0.726 1.00 35.32 H new ATOM 0 HG23 THR A 40 -4.135 9.746 -0.947 1.00 35.32 H new ATOM 657 N GLU A 41 -3.963 7.693 1.741 1.00 22.04 N ATOM 658 CA GLU A 41 -4.358 6.418 2.292 1.00 71.11 C ATOM 659 C GLU A 41 -4.556 5.393 1.188 1.00 43.31 C ATOM 660 O GLU A 41 -4.948 5.729 0.068 1.00 12.24 O ATOM 661 CB GLU A 41 -5.645 6.582 3.090 1.00 41.00 C ATOM 662 CG GLU A 41 -5.527 7.558 4.250 1.00 23.03 C ATOM 663 CD GLU A 41 -6.803 7.655 5.057 1.00 32.13 C ATOM 664 OE1 GLU A 41 -7.870 7.895 4.460 1.00 25.51 O ATOM 665 OE2 GLU A 41 -6.745 7.499 6.296 1.00 74.23 O ATOM 0 H GLU A 41 -4.723 8.216 1.305 1.00 22.04 H new ATOM 0 HA GLU A 41 -3.566 6.062 2.951 1.00 71.11 H new ATOM 0 HB2 GLU A 41 -6.436 6.921 2.421 1.00 41.00 H new ATOM 0 HB3 GLU A 41 -5.949 5.609 3.475 1.00 41.00 H new ATOM 0 HG2 GLU A 41 -4.711 7.246 4.902 1.00 23.03 H new ATOM 0 HG3 GLU A 41 -5.268 8.545 3.866 1.00 23.03 H new ATOM 672 N ILE A 42 -4.275 4.148 1.519 1.00 25.21 N ATOM 673 CA ILE A 42 -4.422 3.045 0.594 1.00 4.41 C ATOM 674 C ILE A 42 -5.263 1.949 1.241 1.00 50.32 C ATOM 675 O ILE A 42 -4.945 1.475 2.335 1.00 45.42 O ATOM 676 CB ILE A 42 -3.045 2.472 0.193 1.00 3.02 C ATOM 677 CG1 ILE A 42 -2.217 3.529 -0.544 1.00 74.41 C ATOM 678 CG2 ILE A 42 -3.210 1.225 -0.667 1.00 21.34 C ATOM 679 CD1 ILE A 42 -0.822 3.064 -0.909 1.00 70.23 C ATOM 0 H ILE A 42 -3.937 3.873 2.441 1.00 25.21 H new ATOM 0 HA ILE A 42 -4.917 3.411 -0.306 1.00 4.41 H new ATOM 0 HB ILE A 42 -2.514 2.191 1.102 1.00 3.02 H new ATOM 0 HG12 ILE A 42 -2.743 3.821 -1.453 1.00 74.41 H new ATOM 0 HG13 ILE A 42 -2.142 4.419 0.080 1.00 74.41 H new ATOM 0 HG21 ILE A 42 -2.228 0.838 -0.938 1.00 21.34 H new ATOM 0 HG22 ILE A 42 -3.757 0.467 -0.107 1.00 21.34 H new ATOM 0 HG23 ILE A 42 -3.763 1.478 -1.572 1.00 21.34 H new ATOM 0 HD11 ILE A 42 -0.296 3.865 -1.428 1.00 70.23 H new ATOM 0 HD12 ILE A 42 -0.278 2.800 -0.002 1.00 70.23 H new ATOM 0 HD13 ILE A 42 -0.888 2.192 -1.560 1.00 70.23 H new ATOM 691 N TYR A 43 -6.346 1.569 0.586 1.00 3.34 N ATOM 692 CA TYR A 43 -7.194 0.511 1.101 1.00 43.04 C ATOM 693 C TYR A 43 -6.715 -0.844 0.599 1.00 51.55 C ATOM 694 O TYR A 43 -6.750 -1.125 -0.603 1.00 3.32 O ATOM 695 CB TYR A 43 -8.657 0.733 0.705 1.00 1.01 C ATOM 696 CG TYR A 43 -9.586 -0.342 1.228 1.00 44.15 C ATOM 697 CD1 TYR A 43 -9.722 -0.563 2.593 1.00 21.24 C ATOM 698 CD2 TYR A 43 -10.327 -1.137 0.359 1.00 42.22 C ATOM 699 CE1 TYR A 43 -10.568 -1.541 3.077 1.00 54.35 C ATOM 700 CE2 TYR A 43 -11.177 -2.118 0.839 1.00 11.53 C ATOM 701 CZ TYR A 43 -11.290 -2.315 2.199 1.00 55.23 C ATOM 702 OH TYR A 43 -12.136 -3.285 2.689 1.00 31.43 O ATOM 0 H TYR A 43 -6.657 1.974 -0.297 1.00 3.34 H new ATOM 0 HA TYR A 43 -7.130 0.529 2.189 1.00 43.04 H new ATOM 0 HB2 TYR A 43 -8.985 1.702 1.081 1.00 1.01 H new ATOM 0 HB3 TYR A 43 -8.731 0.771 -0.382 1.00 1.01 H new ATOM 0 HD1 TYR A 43 -9.156 0.041 3.287 1.00 21.24 H new ATOM 0 HD2 TYR A 43 -10.237 -0.986 -0.707 1.00 42.22 H new ATOM 0 HE1 TYR A 43 -10.662 -1.698 4.141 1.00 54.35 H new ATOM 0 HE2 TYR A 43 -11.748 -2.725 0.153 1.00 11.53 H new ATOM 0 HH TYR A 43 -12.574 -3.744 1.942 1.00 31.43 H new ATOM 712 N ILE A 44 -6.254 -1.669 1.522 1.00 61.01 N ATOM 713 CA ILE A 44 -5.829 -3.019 1.196 1.00 44.43 C ATOM 714 C ILE A 44 -7.048 -3.923 1.112 1.00 14.23 C ATOM 715 O ILE A 44 -7.653 -4.242 2.133 1.00 23.11 O ATOM 716 CB ILE A 44 -4.865 -3.598 2.256 1.00 44.43 C ATOM 717 CG1 ILE A 44 -3.778 -2.584 2.632 1.00 4.43 C ATOM 718 CG2 ILE A 44 -4.236 -4.890 1.747 1.00 54.15 C ATOM 719 CD1 ILE A 44 -2.897 -2.170 1.477 1.00 75.51 C ATOM 0 H ILE A 44 -6.164 -1.426 2.509 1.00 61.01 H new ATOM 0 HA ILE A 44 -5.304 -2.974 0.242 1.00 44.43 H new ATOM 0 HB ILE A 44 -5.442 -3.817 3.154 1.00 44.43 H new ATOM 0 HG12 ILE A 44 -4.253 -1.696 3.050 1.00 4.43 H new ATOM 0 HG13 ILE A 44 -3.154 -3.011 3.417 1.00 4.43 H new ATOM 0 HG21 ILE A 44 -3.559 -5.288 2.503 1.00 54.15 H new ATOM 0 HG22 ILE A 44 -5.019 -5.620 1.541 1.00 54.15 H new ATOM 0 HG23 ILE A 44 -3.679 -4.688 0.832 1.00 54.15 H new ATOM 0 HD11 ILE A 44 -2.154 -1.452 1.825 1.00 75.51 H new ATOM 0 HD12 ILE A 44 -2.392 -3.047 1.072 1.00 75.51 H new ATOM 0 HD13 ILE A 44 -3.508 -1.712 0.699 1.00 75.51 H new ATOM 731 N GLU A 45 -7.424 -4.314 -0.093 1.00 62.21 N ATOM 732 CA GLU A 45 -8.559 -5.208 -0.265 1.00 10.13 C ATOM 733 C GLU A 45 -8.090 -6.639 -0.060 1.00 2.13 C ATOM 734 O GLU A 45 -8.625 -7.371 0.769 1.00 32.34 O ATOM 735 CB GLU A 45 -9.172 -5.027 -1.656 1.00 42.03 C ATOM 736 CG GLU A 45 -10.668 -5.308 -1.732 1.00 64.14 C ATOM 737 CD GLU A 45 -11.022 -6.774 -1.584 1.00 61.34 C ATOM 738 OE1 GLU A 45 -10.617 -7.575 -2.452 1.00 2.22 O ATOM 739 OE2 GLU A 45 -11.730 -7.127 -0.615 1.00 2.01 O ATOM 0 H GLU A 45 -6.967 -4.031 -0.960 1.00 62.21 H new ATOM 0 HA GLU A 45 -9.330 -4.974 0.469 1.00 10.13 H new ATOM 0 HB2 GLU A 45 -8.990 -4.005 -1.988 1.00 42.03 H new ATOM 0 HB3 GLU A 45 -8.656 -5.686 -2.354 1.00 42.03 H new ATOM 0 HG2 GLU A 45 -11.175 -4.741 -0.952 1.00 64.14 H new ATOM 0 HG3 GLU A 45 -11.048 -4.946 -2.687 1.00 64.14 H new ATOM 746 N GLY A 46 -7.055 -7.019 -0.791 1.00 14.44 N ATOM 747 CA GLY A 46 -6.493 -8.336 -0.627 1.00 24.44 C ATOM 748 C GLY A 46 -5.371 -8.614 -1.600 1.00 14.00 C ATOM 749 O GLY A 46 -5.368 -8.103 -2.721 1.00 33.11 O ATOM 0 H GLY A 46 -6.597 -6.438 -1.493 1.00 14.44 H new ATOM 0 HA2 GLY A 46 -6.121 -8.444 0.392 1.00 24.44 H new ATOM 0 HA3 GLY A 46 -7.277 -9.081 -0.760 1.00 24.44 H new ATOM 753 N LYS A 47 -4.403 -9.403 -1.163 1.00 4.44 N ATOM 754 CA LYS A 47 -3.343 -9.863 -2.040 1.00 64.21 C ATOM 755 C LYS A 47 -3.795 -11.156 -2.700 1.00 73.30 C ATOM 756 O LYS A 47 -4.579 -11.905 -2.112 1.00 62.00 O ATOM 757 CB LYS A 47 -2.045 -10.099 -1.253 1.00 64.53 C ATOM 758 CG LYS A 47 -1.603 -8.896 -0.431 1.00 22.14 C ATOM 759 CD LYS A 47 -0.356 -9.193 0.391 1.00 25.52 C ATOM 760 CE LYS A 47 0.816 -9.595 -0.489 1.00 44.53 C ATOM 761 NZ LYS A 47 2.066 -9.776 0.294 1.00 20.31 N ATOM 0 H LYS A 47 -4.331 -9.738 -0.202 1.00 4.44 H new ATOM 0 HA LYS A 47 -3.141 -9.103 -2.795 1.00 64.21 H new ATOM 0 HB2 LYS A 47 -2.183 -10.952 -0.588 1.00 64.53 H new ATOM 0 HB3 LYS A 47 -1.250 -10.364 -1.950 1.00 64.53 H new ATOM 0 HG2 LYS A 47 -1.407 -8.055 -1.096 1.00 22.14 H new ATOM 0 HG3 LYS A 47 -2.412 -8.594 0.234 1.00 22.14 H new ATOM 0 HD2 LYS A 47 -0.087 -8.313 0.975 1.00 25.52 H new ATOM 0 HD3 LYS A 47 -0.570 -9.993 1.100 1.00 25.52 H new ATOM 0 HE2 LYS A 47 0.577 -10.523 -1.009 1.00 44.53 H new ATOM 0 HE3 LYS A 47 0.974 -8.833 -1.252 1.00 44.53 H new ATOM 0 HZ1 LYS A 47 2.847 -10.016 -0.349 1.00 20.31 H new ATOM 0 HZ2 LYS A 47 2.291 -8.894 0.797 1.00 20.31 H new ATOM 0 HZ3 LYS A 47 1.936 -10.544 0.983 1.00 20.31 H new ATOM 775 N ALA A 48 -3.335 -11.405 -3.917 1.00 34.44 N ATOM 776 CA ALA A 48 -3.679 -12.632 -4.618 1.00 10.43 C ATOM 777 C ALA A 48 -3.235 -13.847 -3.815 1.00 44.03 C ATOM 778 O ALA A 48 -2.331 -13.746 -2.986 1.00 41.23 O ATOM 779 CB ALA A 48 -3.048 -12.646 -6.000 1.00 72.42 C ATOM 0 H ALA A 48 -2.724 -10.776 -4.438 1.00 34.44 H new ATOM 0 HA ALA A 48 -4.762 -12.674 -4.733 1.00 10.43 H new ATOM 0 HB1 ALA A 48 -3.314 -13.570 -6.512 1.00 72.42 H new ATOM 0 HB2 ALA A 48 -3.412 -11.795 -6.575 1.00 72.42 H new ATOM 0 HB3 ALA A 48 -1.964 -12.583 -5.906 1.00 72.42 H new ATOM 785 N PRO A 49 -3.866 -15.014 -4.037 1.00 3.24 N ATOM 786 CA PRO A 49 -3.476 -16.266 -3.373 1.00 40.22 C ATOM 787 C PRO A 49 -2.017 -16.627 -3.647 1.00 51.33 C ATOM 788 O PRO A 49 -1.423 -17.452 -2.954 1.00 63.20 O ATOM 789 CB PRO A 49 -4.410 -17.310 -3.992 1.00 75.15 C ATOM 790 CG PRO A 49 -5.580 -16.531 -4.479 1.00 74.32 C ATOM 791 CD PRO A 49 -5.031 -15.205 -4.923 1.00 71.42 C ATOM 0 HA PRO A 49 -3.560 -16.197 -2.288 1.00 40.22 H new ATOM 0 HB2 PRO A 49 -3.922 -17.843 -4.808 1.00 75.15 H new ATOM 0 HB3 PRO A 49 -4.710 -18.057 -3.258 1.00 75.15 H new ATOM 0 HG2 PRO A 49 -6.077 -17.044 -5.302 1.00 74.32 H new ATOM 0 HG3 PRO A 49 -6.321 -16.403 -3.690 1.00 74.32 H new ATOM 0 HD2 PRO A 49 -4.741 -15.220 -5.974 1.00 71.42 H new ATOM 0 HD3 PRO A 49 -5.763 -14.406 -4.806 1.00 71.42 H new ATOM 799 N MET A 50 -1.454 -16.001 -4.668 1.00 61.44 N ATOM 800 CA MET A 50 -0.064 -16.207 -5.042 1.00 4.04 C ATOM 801 C MET A 50 0.831 -15.172 -4.351 1.00 65.03 C ATOM 802 O MET A 50 2.053 -15.308 -4.317 1.00 41.24 O ATOM 803 CB MET A 50 0.058 -16.106 -6.566 1.00 72.24 C ATOM 804 CG MET A 50 1.443 -16.407 -7.110 1.00 75.03 C ATOM 805 SD MET A 50 1.500 -16.348 -8.913 1.00 55.32 S ATOM 806 CE MET A 50 0.357 -17.662 -9.336 1.00 72.21 C ATOM 0 H MET A 50 -1.949 -15.335 -5.261 1.00 61.44 H new ATOM 0 HA MET A 50 0.264 -17.196 -4.721 1.00 4.04 H new ATOM 0 HB2 MET A 50 -0.654 -16.794 -7.021 1.00 72.24 H new ATOM 0 HB3 MET A 50 -0.229 -15.101 -6.875 1.00 72.24 H new ATOM 0 HG2 MET A 50 2.155 -15.689 -6.703 1.00 75.03 H new ATOM 0 HG3 MET A 50 1.757 -17.394 -6.771 1.00 75.03 H new ATOM 0 HE1 MET A 50 0.576 -18.026 -10.340 1.00 72.21 H new ATOM 0 HE2 MET A 50 0.463 -18.480 -8.623 1.00 72.21 H new ATOM 0 HE3 MET A 50 -0.664 -17.281 -9.303 1.00 72.21 H new ATOM 816 N GLY A 51 0.202 -14.154 -3.778 1.00 54.33 N ATOM 817 CA GLY A 51 0.931 -13.071 -3.140 1.00 2.03 C ATOM 818 C GLY A 51 0.908 -11.809 -3.973 1.00 45.32 C ATOM 819 O GLY A 51 0.948 -10.700 -3.445 1.00 21.24 O ATOM 0 H GLY A 51 -0.813 -14.058 -3.743 1.00 54.33 H new ATOM 0 HA2 GLY A 51 0.497 -12.868 -2.161 1.00 2.03 H new ATOM 0 HA3 GLY A 51 1.964 -13.377 -2.973 1.00 2.03 H new ATOM 823 N ASP A 52 0.821 -11.988 -5.280 1.00 63.25 N ATOM 824 CA ASP A 52 0.782 -10.890 -6.217 1.00 31.32 C ATOM 825 C ASP A 52 -0.184 -11.237 -7.346 1.00 22.01 C ATOM 826 O ASP A 52 -0.335 -12.410 -7.692 1.00 73.55 O ATOM 827 CB ASP A 52 2.181 -10.624 -6.774 1.00 54.14 C ATOM 828 CG ASP A 52 2.709 -11.742 -7.654 1.00 2.10 C ATOM 829 OD1 ASP A 52 3.159 -12.772 -7.117 1.00 20.14 O ATOM 830 OD2 ASP A 52 2.695 -11.579 -8.894 1.00 72.32 O ATOM 0 H ASP A 52 0.775 -12.908 -5.719 1.00 63.25 H new ATOM 0 HA ASP A 52 0.439 -9.987 -5.712 1.00 31.32 H new ATOM 0 HB2 ASP A 52 2.164 -9.698 -7.349 1.00 54.14 H new ATOM 0 HB3 ASP A 52 2.870 -10.471 -5.944 1.00 54.14 H new ATOM 835 N PRO A 53 -0.872 -10.240 -7.918 1.00 50.21 N ATOM 836 CA PRO A 53 -0.747 -8.841 -7.511 1.00 53.34 C ATOM 837 C PRO A 53 -1.552 -8.525 -6.250 1.00 54.44 C ATOM 838 O PRO A 53 -2.201 -9.404 -5.673 1.00 23.12 O ATOM 839 CB PRO A 53 -1.318 -8.091 -8.713 1.00 74.10 C ATOM 840 CG PRO A 53 -2.350 -9.012 -9.265 1.00 54.20 C ATOM 841 CD PRO A 53 -1.836 -10.407 -9.024 1.00 53.13 C ATOM 0 HA PRO A 53 0.279 -8.571 -7.261 1.00 53.34 H new ATOM 0 HB2 PRO A 53 -1.754 -7.137 -8.416 1.00 74.10 H new ATOM 0 HB3 PRO A 53 -0.545 -7.873 -9.450 1.00 74.10 H new ATOM 0 HG2 PRO A 53 -3.311 -8.860 -8.773 1.00 54.20 H new ATOM 0 HG3 PRO A 53 -2.504 -8.832 -10.329 1.00 54.20 H new ATOM 0 HD2 PRO A 53 -2.642 -11.089 -8.753 1.00 53.13 H new ATOM 0 HD3 PRO A 53 -1.357 -10.816 -9.914 1.00 53.13 H new ATOM 849 N ILE A 54 -1.505 -7.274 -5.822 1.00 65.44 N ATOM 850 CA ILE A 54 -2.232 -6.843 -4.641 1.00 44.35 C ATOM 851 C ILE A 54 -3.335 -5.869 -5.037 1.00 4.13 C ATOM 852 O ILE A 54 -3.073 -4.862 -5.697 1.00 24.52 O ATOM 853 CB ILE A 54 -1.295 -6.164 -3.619 1.00 60.21 C ATOM 854 CG1 ILE A 54 -0.055 -7.031 -3.376 1.00 43.12 C ATOM 855 CG2 ILE A 54 -2.033 -5.917 -2.311 1.00 23.41 C ATOM 856 CD1 ILE A 54 0.964 -6.401 -2.450 1.00 60.10 C ATOM 0 H ILE A 54 -0.968 -6.536 -6.278 1.00 65.44 H new ATOM 0 HA ILE A 54 -2.666 -7.728 -4.176 1.00 44.35 H new ATOM 0 HB ILE A 54 -0.973 -5.205 -4.024 1.00 60.21 H new ATOM 0 HG12 ILE A 54 -0.369 -7.987 -2.958 1.00 43.12 H new ATOM 0 HG13 ILE A 54 0.421 -7.243 -4.333 1.00 43.12 H new ATOM 0 HG21 ILE A 54 -1.361 -5.438 -1.599 1.00 23.41 H new ATOM 0 HG22 ILE A 54 -2.890 -5.269 -2.494 1.00 23.41 H new ATOM 0 HG23 ILE A 54 -2.377 -6.867 -1.902 1.00 23.41 H new ATOM 0 HD11 ILE A 54 1.811 -7.076 -2.328 1.00 60.10 H new ATOM 0 HD12 ILE A 54 1.309 -5.459 -2.876 1.00 60.10 H new ATOM 0 HD13 ILE A 54 0.506 -6.215 -1.478 1.00 60.10 H new ATOM 868 N ALA A 55 -4.567 -6.179 -4.651 1.00 73.11 N ATOM 869 CA ALA A 55 -5.705 -5.322 -4.953 1.00 30.24 C ATOM 870 C ALA A 55 -5.758 -4.141 -3.990 1.00 44.12 C ATOM 871 O ALA A 55 -6.099 -4.297 -2.812 1.00 21.01 O ATOM 872 CB ALA A 55 -6.997 -6.120 -4.896 1.00 1.12 C ATOM 0 H ALA A 55 -4.803 -7.021 -4.126 1.00 73.11 H new ATOM 0 HA ALA A 55 -5.586 -4.931 -5.963 1.00 30.24 H new ATOM 0 HB1 ALA A 55 -7.839 -5.466 -5.124 1.00 1.12 H new ATOM 0 HB2 ALA A 55 -6.958 -6.929 -5.626 1.00 1.12 H new ATOM 0 HB3 ALA A 55 -7.122 -6.538 -3.897 1.00 1.12 H new ATOM 878 N LEU A 56 -5.413 -2.965 -4.491 1.00 33.20 N ATOM 879 CA LEU A 56 -5.327 -1.770 -3.668 1.00 74.12 C ATOM 880 C LEU A 56 -6.289 -0.707 -4.160 1.00 64.44 C ATOM 881 O LEU A 56 -6.483 -0.544 -5.357 1.00 13.25 O ATOM 882 CB LEU A 56 -3.910 -1.200 -3.707 1.00 30.52 C ATOM 883 CG LEU A 56 -2.800 -2.174 -3.328 1.00 13.12 C ATOM 884 CD1 LEU A 56 -1.441 -1.521 -3.511 1.00 50.34 C ATOM 885 CD2 LEU A 56 -2.984 -2.645 -1.896 1.00 62.02 C ATOM 0 H LEU A 56 -5.186 -2.813 -5.474 1.00 33.20 H new ATOM 0 HA LEU A 56 -5.587 -2.051 -2.647 1.00 74.12 H new ATOM 0 HB2 LEU A 56 -3.715 -0.827 -4.712 1.00 30.52 H new ATOM 0 HB3 LEU A 56 -3.863 -0.343 -3.035 1.00 30.52 H new ATOM 0 HG LEU A 56 -2.852 -3.042 -3.985 1.00 13.12 H new ATOM 0 HD11 LEU A 56 -0.658 -2.228 -3.237 1.00 50.34 H new ATOM 0 HD12 LEU A 56 -1.316 -1.227 -4.553 1.00 50.34 H new ATOM 0 HD13 LEU A 56 -1.373 -0.639 -2.875 1.00 50.34 H new ATOM 0 HD21 LEU A 56 -2.186 -3.340 -1.636 1.00 62.02 H new ATOM 0 HD22 LEU A 56 -2.951 -1.787 -1.224 1.00 62.02 H new ATOM 0 HD23 LEU A 56 -3.947 -3.146 -1.799 1.00 62.02 H new ATOM 897 N ARG A 57 -6.887 0.010 -3.235 1.00 23.15 N ATOM 898 CA ARG A 57 -7.687 1.171 -3.579 1.00 73.41 C ATOM 899 C ARG A 57 -6.967 2.418 -3.096 1.00 34.04 C ATOM 900 O ARG A 57 -6.979 2.737 -1.908 1.00 32.35 O ATOM 901 CB ARG A 57 -9.087 1.082 -2.970 1.00 52.05 C ATOM 902 CG ARG A 57 -9.974 2.273 -3.296 1.00 65.11 C ATOM 903 CD ARG A 57 -11.294 2.192 -2.551 1.00 42.22 C ATOM 904 NE ARG A 57 -12.171 3.320 -2.855 1.00 62.31 N ATOM 905 CZ ARG A 57 -12.792 4.056 -1.931 1.00 30.51 C ATOM 906 NH1 ARG A 57 -12.584 3.835 -0.635 1.00 32.41 N ATOM 907 NH2 ARG A 57 -13.620 5.020 -2.306 1.00 14.44 N ATOM 0 H ARG A 57 -6.836 -0.189 -2.236 1.00 23.15 H new ATOM 0 HA ARG A 57 -7.812 1.213 -4.661 1.00 73.41 H new ATOM 0 HB2 ARG A 57 -9.571 0.172 -3.326 1.00 52.05 H new ATOM 0 HB3 ARG A 57 -8.997 0.993 -1.887 1.00 52.05 H new ATOM 0 HG2 ARG A 57 -9.460 3.197 -3.031 1.00 65.11 H new ATOM 0 HG3 ARG A 57 -10.160 2.308 -4.369 1.00 65.11 H new ATOM 0 HD2 ARG A 57 -11.799 1.262 -2.811 1.00 42.22 H new ATOM 0 HD3 ARG A 57 -11.102 2.162 -1.478 1.00 42.22 H new ATOM 0 HE ARG A 57 -12.318 3.560 -3.835 1.00 62.31 H new ATOM 0 HH11 ARG A 57 -11.945 3.097 -0.340 1.00 32.41 H new ATOM 0 HH12 ARG A 57 -13.064 4.404 0.063 1.00 32.41 H new ATOM 0 HH21 ARG A 57 -13.781 5.197 -3.298 1.00 14.44 H new ATOM 0 HH22 ARG A 57 -14.097 5.585 -1.603 1.00 14.44 H new ATOM 921 N LEU A 58 -6.309 3.096 -4.019 1.00 4.24 N ATOM 922 CA LEU A 58 -5.473 4.230 -3.680 1.00 11.52 C ATOM 923 C LEU A 58 -5.785 5.413 -4.581 1.00 63.02 C ATOM 924 O LEU A 58 -6.241 5.233 -5.714 1.00 62.13 O ATOM 925 CB LEU A 58 -3.991 3.835 -3.778 1.00 35.24 C ATOM 926 CG LEU A 58 -3.571 3.125 -5.075 1.00 45.42 C ATOM 927 CD1 LEU A 58 -3.224 4.126 -6.171 1.00 51.43 C ATOM 928 CD2 LEU A 58 -2.400 2.189 -4.812 1.00 33.51 C ATOM 0 H LEU A 58 -6.339 2.878 -5.015 1.00 4.24 H new ATOM 0 HA LEU A 58 -5.683 4.531 -2.654 1.00 11.52 H new ATOM 0 HB2 LEU A 58 -3.387 4.735 -3.667 1.00 35.24 H new ATOM 0 HB3 LEU A 58 -3.752 3.185 -2.937 1.00 35.24 H new ATOM 0 HG LEU A 58 -4.419 2.535 -5.424 1.00 45.42 H new ATOM 0 HD11 LEU A 58 -2.931 3.590 -7.074 1.00 51.43 H new ATOM 0 HD12 LEU A 58 -4.093 4.748 -6.384 1.00 51.43 H new ATOM 0 HD13 LEU A 58 -2.399 4.757 -5.840 1.00 51.43 H new ATOM 0 HD21 LEU A 58 -2.114 1.694 -5.740 1.00 33.51 H new ATOM 0 HD22 LEU A 58 -1.554 2.762 -4.431 1.00 33.51 H new ATOM 0 HD23 LEU A 58 -2.691 1.440 -4.076 1.00 33.51 H new ATOM 940 N ARG A 59 -5.574 6.618 -4.052 1.00 62.54 N ATOM 941 CA ARG A 59 -5.802 7.872 -4.782 1.00 5.30 C ATOM 942 C ARG A 59 -7.303 8.139 -4.971 1.00 24.45 C ATOM 943 O ARG A 59 -7.754 9.276 -4.858 1.00 4.24 O ATOM 944 CB ARG A 59 -5.056 7.863 -6.133 1.00 53.43 C ATOM 945 CG ARG A 59 -4.979 9.220 -6.827 1.00 54.23 C ATOM 946 CD ARG A 59 -6.238 9.529 -7.619 1.00 22.44 C ATOM 947 NE ARG A 59 -6.242 10.892 -8.143 1.00 33.35 N ATOM 948 CZ ARG A 59 -7.311 11.470 -8.687 1.00 33.45 C ATOM 949 NH1 ARG A 59 -8.446 10.786 -8.815 1.00 40.42 N ATOM 950 NH2 ARG A 59 -7.248 12.724 -9.111 1.00 73.04 N ATOM 0 H ARG A 59 -5.238 6.756 -3.099 1.00 62.54 H new ATOM 0 HA ARG A 59 -5.399 8.689 -4.184 1.00 5.30 H new ATOM 0 HB2 ARG A 59 -4.043 7.495 -5.971 1.00 53.43 H new ATOM 0 HB3 ARG A 59 -5.549 7.156 -6.800 1.00 53.43 H new ATOM 0 HG2 ARG A 59 -4.820 9.999 -6.082 1.00 54.23 H new ATOM 0 HG3 ARG A 59 -4.118 9.237 -7.495 1.00 54.23 H new ATOM 0 HD2 ARG A 59 -6.327 8.824 -8.446 1.00 22.44 H new ATOM 0 HD3 ARG A 59 -7.110 9.385 -6.982 1.00 22.44 H new ATOM 0 HE ARG A 59 -5.378 11.431 -8.089 1.00 33.35 H new ATOM 0 HH11 ARG A 59 -8.497 9.818 -8.496 1.00 40.42 H new ATOM 0 HH12 ARG A 59 -9.264 11.230 -9.232 1.00 40.42 H new ATOM 0 HH21 ARG A 59 -6.379 13.250 -9.021 1.00 73.04 H new ATOM 0 HH22 ARG A 59 -8.069 13.163 -9.527 1.00 73.04 H new ATOM 964 N GLY A 60 -8.068 7.092 -5.251 1.00 41.22 N ATOM 965 CA GLY A 60 -9.501 7.233 -5.415 1.00 5.34 C ATOM 966 C GLY A 60 -10.144 5.971 -5.949 1.00 74.44 C ATOM 967 O GLY A 60 -11.314 5.701 -5.685 1.00 61.31 O ATOM 0 H GLY A 60 -7.718 6.141 -5.368 1.00 41.22 H new ATOM 0 HA2 GLY A 60 -9.951 7.490 -4.456 1.00 5.34 H new ATOM 0 HA3 GLY A 60 -9.707 8.059 -6.095 1.00 5.34 H new ATOM 971 N TYR A 61 -9.377 5.186 -6.690 1.00 70.22 N ATOM 972 CA TYR A 61 -9.897 3.968 -7.296 1.00 52.25 C ATOM 973 C TYR A 61 -9.072 2.754 -6.895 1.00 42.42 C ATOM 974 O TYR A 61 -7.996 2.884 -6.313 1.00 71.21 O ATOM 975 CB TYR A 61 -9.930 4.089 -8.822 1.00 20.54 C ATOM 976 CG TYR A 61 -8.599 4.467 -9.445 1.00 12.10 C ATOM 977 CD1 TYR A 61 -8.223 5.799 -9.578 1.00 44.43 C ATOM 978 CD2 TYR A 61 -7.721 3.491 -9.905 1.00 55.33 C ATOM 979 CE1 TYR A 61 -7.010 6.146 -10.142 1.00 75.03 C ATOM 980 CE2 TYR A 61 -6.505 3.830 -10.471 1.00 5.32 C ATOM 981 CZ TYR A 61 -6.156 5.159 -10.590 1.00 72.43 C ATOM 982 OH TYR A 61 -4.943 5.501 -11.153 1.00 73.31 O ATOM 0 H TYR A 61 -8.393 5.370 -6.887 1.00 70.22 H new ATOM 0 HA TYR A 61 -10.914 3.832 -6.929 1.00 52.25 H new ATOM 0 HB2 TYR A 61 -10.259 3.139 -9.244 1.00 20.54 H new ATOM 0 HB3 TYR A 61 -10.674 4.836 -9.100 1.00 20.54 H new ATOM 0 HD1 TYR A 61 -8.890 6.576 -9.235 1.00 44.43 H new ATOM 0 HD2 TYR A 61 -7.994 2.450 -9.819 1.00 55.33 H new ATOM 0 HE1 TYR A 61 -6.732 7.186 -10.232 1.00 75.03 H new ATOM 0 HE2 TYR A 61 -5.833 3.059 -10.818 1.00 5.32 H new ATOM 0 HH TYR A 61 -4.463 4.688 -11.414 1.00 73.31 H new ATOM 992 N SER A 62 -9.592 1.582 -7.210 1.00 30.54 N ATOM 993 CA SER A 62 -8.911 0.332 -6.928 1.00 21.04 C ATOM 994 C SER A 62 -8.207 -0.196 -8.172 1.00 22.40 C ATOM 995 O SER A 62 -8.676 -0.012 -9.298 1.00 14.41 O ATOM 996 CB SER A 62 -9.907 -0.706 -6.409 1.00 24.25 C ATOM 997 OG SER A 62 -9.279 -1.950 -6.144 1.00 5.32 O ATOM 0 H SER A 62 -10.497 1.470 -7.668 1.00 30.54 H new ATOM 0 HA SER A 62 -8.159 0.519 -6.161 1.00 21.04 H new ATOM 0 HB2 SER A 62 -10.378 -0.335 -5.499 1.00 24.25 H new ATOM 0 HB3 SER A 62 -10.700 -0.848 -7.143 1.00 24.25 H new ATOM 0 HG SER A 62 -8.352 -1.796 -5.867 1.00 5.32 H new ATOM 1003 N LEU A 63 -7.084 -0.848 -7.949 1.00 11.25 N ATOM 1004 CA LEU A 63 -6.282 -1.429 -9.012 1.00 13.34 C ATOM 1005 C LEU A 63 -5.286 -2.416 -8.414 1.00 75.01 C ATOM 1006 O LEU A 63 -5.016 -2.383 -7.214 1.00 25.23 O ATOM 1007 CB LEU A 63 -5.544 -0.347 -9.825 1.00 40.32 C ATOM 1008 CG LEU A 63 -4.447 0.443 -9.091 1.00 61.22 C ATOM 1009 CD1 LEU A 63 -3.620 1.239 -10.087 1.00 55.04 C ATOM 1010 CD2 LEU A 63 -5.037 1.382 -8.048 1.00 3.13 C ATOM 0 H LEU A 63 -6.697 -0.992 -7.016 1.00 11.25 H new ATOM 0 HA LEU A 63 -6.949 -1.951 -9.698 1.00 13.34 H new ATOM 0 HB2 LEU A 63 -5.094 -0.824 -10.696 1.00 40.32 H new ATOM 0 HB3 LEU A 63 -6.283 0.363 -10.196 1.00 40.32 H new ATOM 0 HG LEU A 63 -3.809 -0.276 -8.578 1.00 61.22 H new ATOM 0 HD11 LEU A 63 -2.847 1.794 -9.556 1.00 55.04 H new ATOM 0 HD12 LEU A 63 -3.154 0.558 -10.799 1.00 55.04 H new ATOM 0 HD13 LEU A 63 -4.266 1.936 -10.621 1.00 55.04 H new ATOM 0 HD21 LEU A 63 -4.233 1.923 -7.550 1.00 3.13 H new ATOM 0 HD22 LEU A 63 -5.706 2.092 -8.535 1.00 3.13 H new ATOM 0 HD23 LEU A 63 -5.595 0.804 -7.312 1.00 3.13 H new ATOM 1022 N SER A 64 -4.754 -3.298 -9.241 1.00 14.31 N ATOM 1023 CA SER A 64 -3.838 -4.318 -8.773 1.00 21.44 C ATOM 1024 C SER A 64 -2.380 -3.915 -9.003 1.00 5.11 C ATOM 1025 O SER A 64 -1.939 -3.744 -10.142 1.00 23.33 O ATOM 1026 CB SER A 64 -4.157 -5.634 -9.473 1.00 45.31 C ATOM 1027 OG SER A 64 -4.739 -5.399 -10.745 1.00 64.21 O ATOM 0 H SER A 64 -4.942 -3.327 -10.243 1.00 14.31 H new ATOM 0 HA SER A 64 -3.966 -4.438 -7.697 1.00 21.44 H new ATOM 0 HB2 SER A 64 -3.245 -6.220 -9.588 1.00 45.31 H new ATOM 0 HB3 SER A 64 -4.839 -6.222 -8.859 1.00 45.31 H new ATOM 0 HG SER A 64 -4.935 -6.256 -11.179 1.00 64.21 H new ATOM 1033 N LEU A 65 -1.643 -3.767 -7.909 1.00 63.40 N ATOM 1034 CA LEU A 65 -0.233 -3.393 -7.970 1.00 21.32 C ATOM 1035 C LEU A 65 0.658 -4.618 -7.849 1.00 61.34 C ATOM 1036 O LEU A 65 0.234 -5.656 -7.339 1.00 41.20 O ATOM 1037 CB LEU A 65 0.121 -2.397 -6.859 1.00 23.10 C ATOM 1038 CG LEU A 65 -0.062 -0.917 -7.206 1.00 10.23 C ATOM 1039 CD1 LEU A 65 0.786 -0.550 -8.414 1.00 4.42 C ATOM 1040 CD2 LEU A 65 -1.524 -0.593 -7.461 1.00 63.40 C ATOM 0 H LEU A 65 -2.000 -3.901 -6.963 1.00 63.40 H new ATOM 0 HA LEU A 65 -0.063 -2.921 -8.938 1.00 21.32 H new ATOM 0 HB2 LEU A 65 -0.490 -2.624 -5.986 1.00 23.10 H new ATOM 0 HB3 LEU A 65 1.160 -2.557 -6.571 1.00 23.10 H new ATOM 0 HG LEU A 65 0.269 -0.324 -6.354 1.00 10.23 H new ATOM 0 HD11 LEU A 65 0.646 0.505 -8.650 1.00 4.42 H new ATOM 0 HD12 LEU A 65 1.837 -0.736 -8.191 1.00 4.42 H new ATOM 0 HD13 LEU A 65 0.484 -1.156 -9.268 1.00 4.42 H new ATOM 0 HD21 LEU A 65 -1.625 0.464 -7.705 1.00 63.40 H new ATOM 0 HD22 LEU A 65 -1.890 -1.194 -8.293 1.00 63.40 H new ATOM 0 HD23 LEU A 65 -2.107 -0.816 -6.568 1.00 63.40 H new ATOM 1052 N ARG A 66 1.894 -4.490 -8.313 1.00 1.23 N ATOM 1053 CA ARG A 66 2.842 -5.593 -8.273 1.00 31.23 C ATOM 1054 C ARG A 66 3.496 -5.712 -6.907 1.00 63.53 C ATOM 1055 O ARG A 66 3.573 -4.738 -6.159 1.00 4.12 O ATOM 1056 CB ARG A 66 3.924 -5.409 -9.315 1.00 4.11 C ATOM 1057 CG ARG A 66 3.393 -5.475 -10.721 1.00 22.33 C ATOM 1058 CD ARG A 66 4.499 -5.778 -11.693 1.00 11.33 C ATOM 1059 NE ARG A 66 5.641 -4.882 -11.515 1.00 63.22 N ATOM 1060 CZ ARG A 66 6.844 -5.087 -12.042 1.00 24.44 C ATOM 1061 NH1 ARG A 66 7.045 -6.093 -12.886 1.00 61.40 N ATOM 1062 NH2 ARG A 66 7.842 -4.274 -11.731 1.00 45.12 N ATOM 0 H ARG A 66 2.263 -3.631 -8.722 1.00 1.23 H new ATOM 0 HA ARG A 66 2.281 -6.504 -8.481 1.00 31.23 H new ATOM 0 HB2 ARG A 66 4.412 -4.447 -9.160 1.00 4.11 H new ATOM 0 HB3 ARG A 66 4.685 -6.178 -9.182 1.00 4.11 H new ATOM 0 HG2 ARG A 66 2.622 -6.243 -10.788 1.00 22.33 H new ATOM 0 HG3 ARG A 66 2.922 -4.527 -10.982 1.00 22.33 H new ATOM 0 HD2 ARG A 66 4.824 -6.810 -11.563 1.00 11.33 H new ATOM 0 HD3 ARG A 66 4.122 -5.688 -12.712 1.00 11.33 H new ATOM 0 HE ARG A 66 5.505 -4.044 -10.949 1.00 63.22 H new ATOM 0 HH11 ARG A 66 6.274 -6.713 -13.133 1.00 61.40 H new ATOM 0 HH12 ARG A 66 7.970 -6.245 -13.287 1.00 61.40 H new ATOM 0 HH21 ARG A 66 7.685 -3.496 -11.090 1.00 45.12 H new ATOM 0 HH22 ARG A 66 8.767 -4.426 -12.132 1.00 45.12 H new ATOM 1076 N LYS A 67 3.973 -6.912 -6.599 1.00 15.41 N ATOM 1077 CA LYS A 67 4.758 -7.155 -5.392 1.00 65.11 C ATOM 1078 C LYS A 67 5.947 -6.199 -5.311 1.00 70.31 C ATOM 1079 O LYS A 67 6.216 -5.612 -4.263 1.00 4.25 O ATOM 1080 CB LYS A 67 5.265 -8.599 -5.403 1.00 4.04 C ATOM 1081 CG LYS A 67 6.158 -8.958 -4.227 1.00 45.13 C ATOM 1082 CD LYS A 67 6.899 -10.263 -4.477 1.00 33.21 C ATOM 1083 CE LYS A 67 5.942 -11.417 -4.733 1.00 64.54 C ATOM 1084 NZ LYS A 67 6.662 -12.674 -5.067 1.00 40.41 N ATOM 0 H LYS A 67 3.828 -7.741 -7.175 1.00 15.41 H new ATOM 0 HA LYS A 67 4.122 -6.987 -4.523 1.00 65.11 H new ATOM 0 HB2 LYS A 67 4.408 -9.272 -5.412 1.00 4.04 H new ATOM 0 HB3 LYS A 67 5.815 -8.771 -6.328 1.00 4.04 H new ATOM 0 HG2 LYS A 67 6.876 -8.156 -4.054 1.00 45.13 H new ATOM 0 HG3 LYS A 67 5.555 -9.046 -3.323 1.00 45.13 H new ATOM 0 HD2 LYS A 67 7.563 -10.145 -5.333 1.00 33.21 H new ATOM 0 HD3 LYS A 67 7.526 -10.495 -3.616 1.00 33.21 H new ATOM 0 HE2 LYS A 67 5.323 -11.577 -3.850 1.00 64.54 H new ATOM 0 HE3 LYS A 67 5.270 -11.156 -5.550 1.00 64.54 H new ATOM 0 HZ1 LYS A 67 5.973 -13.435 -5.234 1.00 40.41 H new ATOM 0 HZ2 LYS A 67 7.233 -12.530 -5.924 1.00 40.41 H new ATOM 0 HZ3 LYS A 67 7.284 -12.938 -4.277 1.00 40.41 H new ATOM 1098 N SER A 68 6.638 -6.047 -6.434 1.00 2.33 N ATOM 1099 CA SER A 68 7.853 -5.249 -6.505 1.00 2.15 C ATOM 1100 C SER A 68 7.614 -3.803 -6.067 1.00 23.12 C ATOM 1101 O SER A 68 8.328 -3.286 -5.208 1.00 12.32 O ATOM 1102 CB SER A 68 8.387 -5.289 -7.936 1.00 51.30 C ATOM 1103 OG SER A 68 8.334 -6.612 -8.447 1.00 21.31 O ATOM 0 H SER A 68 6.371 -6.474 -7.321 1.00 2.33 H new ATOM 0 HA SER A 68 8.586 -5.672 -5.818 1.00 2.15 H new ATOM 0 HB2 SER A 68 7.799 -4.624 -8.569 1.00 51.30 H new ATOM 0 HB3 SER A 68 9.414 -4.925 -7.958 1.00 51.30 H new ATOM 0 HG SER A 68 8.677 -6.622 -9.365 1.00 21.31 H new ATOM 1109 N GLU A 69 6.590 -3.172 -6.634 1.00 74.25 N ATOM 1110 CA GLU A 69 6.318 -1.759 -6.371 1.00 72.02 C ATOM 1111 C GLU A 69 5.777 -1.546 -4.961 1.00 41.43 C ATOM 1112 O GLU A 69 6.020 -0.511 -4.343 1.00 42.11 O ATOM 1113 CB GLU A 69 5.314 -1.194 -7.384 1.00 20.33 C ATOM 1114 CG GLU A 69 5.902 -0.873 -8.751 1.00 70.41 C ATOM 1115 CD GLU A 69 6.104 -2.090 -9.626 1.00 13.53 C ATOM 1116 OE1 GLU A 69 5.134 -2.511 -10.288 1.00 21.23 O ATOM 1117 OE2 GLU A 69 7.231 -2.620 -9.678 1.00 1.30 O ATOM 0 H GLU A 69 5.934 -3.615 -7.278 1.00 74.25 H new ATOM 0 HA GLU A 69 7.267 -1.231 -6.468 1.00 72.02 H new ATOM 0 HB2 GLU A 69 4.504 -1.912 -7.512 1.00 20.33 H new ATOM 0 HB3 GLU A 69 4.873 -0.287 -6.971 1.00 20.33 H new ATOM 0 HG2 GLU A 69 5.244 -0.172 -9.265 1.00 70.41 H new ATOM 0 HG3 GLU A 69 6.860 -0.370 -8.616 1.00 70.41 H new ATOM 1124 N ALA A 70 5.059 -2.535 -4.454 1.00 13.41 N ATOM 1125 CA ALA A 70 4.367 -2.401 -3.181 1.00 23.25 C ATOM 1126 C ALA A 70 5.336 -2.320 -2.001 1.00 41.25 C ATOM 1127 O ALA A 70 4.993 -1.789 -0.950 1.00 25.42 O ATOM 1128 CB ALA A 70 3.385 -3.550 -2.997 1.00 70.42 C ATOM 0 H ALA A 70 4.940 -3.442 -4.905 1.00 13.41 H new ATOM 0 HA ALA A 70 3.817 -1.460 -3.202 1.00 23.25 H new ATOM 0 HB1 ALA A 70 2.872 -3.441 -2.041 1.00 70.42 H new ATOM 0 HB2 ALA A 70 2.654 -3.536 -3.805 1.00 70.42 H new ATOM 0 HB3 ALA A 70 3.925 -4.496 -3.013 1.00 70.42 H new ATOM 1134 N LYS A 71 6.548 -2.828 -2.159 1.00 2.42 N ATOM 1135 CA LYS A 71 7.496 -2.807 -1.052 1.00 14.11 C ATOM 1136 C LYS A 71 8.276 -1.495 -1.035 1.00 2.13 C ATOM 1137 O LYS A 71 8.964 -1.181 -0.066 1.00 35.33 O ATOM 1138 CB LYS A 71 8.457 -3.992 -1.123 1.00 32.13 C ATOM 1139 CG LYS A 71 8.904 -4.473 0.249 1.00 3.55 C ATOM 1140 CD LYS A 71 10.121 -5.372 0.162 1.00 34.30 C ATOM 1141 CE LYS A 71 10.432 -6.040 1.498 1.00 32.41 C ATOM 1142 NZ LYS A 71 10.577 -5.058 2.607 1.00 3.14 N ATOM 0 H LYS A 71 6.895 -3.251 -3.020 1.00 2.42 H new ATOM 0 HA LYS A 71 6.926 -2.888 -0.127 1.00 14.11 H new ATOM 0 HB2 LYS A 71 7.974 -4.814 -1.651 1.00 32.13 H new ATOM 0 HB3 LYS A 71 9.333 -3.709 -1.707 1.00 32.13 H new ATOM 0 HG2 LYS A 71 9.132 -3.613 0.879 1.00 3.55 H new ATOM 0 HG3 LYS A 71 8.087 -5.012 0.729 1.00 3.55 H new ATOM 0 HD2 LYS A 71 9.954 -6.137 -0.596 1.00 34.30 H new ATOM 0 HD3 LYS A 71 10.982 -4.787 -0.160 1.00 34.30 H new ATOM 0 HE2 LYS A 71 9.636 -6.744 1.742 1.00 32.41 H new ATOM 0 HE3 LYS A 71 11.352 -6.618 1.406 1.00 32.41 H new ATOM 0 HZ1 LYS A 71 10.919 -5.545 3.460 1.00 3.14 H new ATOM 0 HZ2 LYS A 71 11.258 -4.322 2.332 1.00 3.14 H new ATOM 0 HZ3 LYS A 71 9.655 -4.620 2.806 1.00 3.14 H new ATOM 1156 N ASP A 72 8.151 -0.725 -2.110 1.00 42.42 N ATOM 1157 CA ASP A 72 8.828 0.570 -2.225 1.00 64.23 C ATOM 1158 C ASP A 72 8.049 1.663 -1.493 1.00 60.31 C ATOM 1159 O ASP A 72 8.446 2.831 -1.488 1.00 3.13 O ATOM 1160 CB ASP A 72 9.006 0.953 -3.700 1.00 72.32 C ATOM 1161 CG ASP A 72 10.234 0.330 -4.335 1.00 54.23 C ATOM 1162 OD1 ASP A 72 10.329 -0.915 -4.378 1.00 25.13 O ATOM 1163 OD2 ASP A 72 11.120 1.081 -4.796 1.00 51.41 O ATOM 0 H ASP A 72 7.585 -0.973 -2.921 1.00 42.42 H new ATOM 0 HA ASP A 72 9.810 0.477 -1.761 1.00 64.23 H new ATOM 0 HB2 ASP A 72 8.121 0.646 -4.258 1.00 72.32 H new ATOM 0 HB3 ASP A 72 9.074 2.038 -3.781 1.00 72.32 H new ATOM 1168 N ILE A 73 6.939 1.273 -0.879 1.00 64.31 N ATOM 1169 CA ILE A 73 6.093 2.200 -0.138 1.00 4.32 C ATOM 1170 C ILE A 73 6.025 1.785 1.330 1.00 10.00 C ATOM 1171 O ILE A 73 5.705 0.636 1.633 1.00 51.10 O ATOM 1172 CB ILE A 73 4.659 2.236 -0.717 1.00 23.24 C ATOM 1173 CG1 ILE A 73 4.694 2.547 -2.215 1.00 63.30 C ATOM 1174 CG2 ILE A 73 3.813 3.266 0.018 1.00 52.30 C ATOM 1175 CD1 ILE A 73 3.336 2.490 -2.881 1.00 34.45 C ATOM 0 H ILE A 73 6.601 0.311 -0.880 1.00 64.31 H new ATOM 0 HA ILE A 73 6.532 3.194 -0.226 1.00 4.32 H new ATOM 0 HB ILE A 73 4.207 1.254 -0.577 1.00 23.24 H new ATOM 0 HG12 ILE A 73 5.119 3.540 -2.361 1.00 63.30 H new ATOM 0 HG13 ILE A 73 5.361 1.840 -2.708 1.00 63.30 H new ATOM 0 HG21 ILE A 73 2.807 3.278 -0.402 1.00 52.30 H new ATOM 0 HG22 ILE A 73 3.761 3.007 1.075 1.00 52.30 H new ATOM 0 HG23 ILE A 73 4.264 4.252 -0.092 1.00 52.30 H new ATOM 0 HD11 ILE A 73 3.441 2.721 -3.941 1.00 34.45 H new ATOM 0 HD12 ILE A 73 2.917 1.490 -2.768 1.00 34.45 H new ATOM 0 HD13 ILE A 73 2.671 3.217 -2.415 1.00 34.45 H new ATOM 1187 N LEU A 74 6.335 2.713 2.230 1.00 75.34 N ATOM 1188 CA LEU A 74 6.297 2.439 3.660 1.00 51.03 C ATOM 1189 C LEU A 74 5.042 3.052 4.278 1.00 74.42 C ATOM 1190 O LEU A 74 4.825 4.263 4.188 1.00 62.30 O ATOM 1191 CB LEU A 74 7.545 3.004 4.339 1.00 54.13 C ATOM 1192 CG LEU A 74 8.877 2.421 3.853 1.00 74.33 C ATOM 1193 CD1 LEU A 74 10.044 3.085 4.568 1.00 20.22 C ATOM 1194 CD2 LEU A 74 8.914 0.913 4.063 1.00 11.01 C ATOM 0 H LEU A 74 6.616 3.664 1.992 1.00 75.34 H new ATOM 0 HA LEU A 74 6.274 1.360 3.810 1.00 51.03 H new ATOM 0 HB2 LEU A 74 7.563 4.083 4.188 1.00 54.13 H new ATOM 0 HB3 LEU A 74 7.463 2.834 5.412 1.00 54.13 H new ATOM 0 HG LEU A 74 8.966 2.621 2.785 1.00 74.33 H new ATOM 0 HD11 LEU A 74 10.981 2.658 4.210 1.00 20.22 H new ATOM 0 HD12 LEU A 74 10.033 4.156 4.366 1.00 20.22 H new ATOM 0 HD13 LEU A 74 9.956 2.917 5.641 1.00 20.22 H new ATOM 0 HD21 LEU A 74 9.868 0.520 3.711 1.00 11.01 H new ATOM 0 HD22 LEU A 74 8.799 0.690 5.124 1.00 11.01 H new ATOM 0 HD23 LEU A 74 8.102 0.448 3.504 1.00 11.01 H new ATOM 1206 N VAL A 75 4.225 2.222 4.911 1.00 53.21 N ATOM 1207 CA VAL A 75 2.925 2.669 5.404 1.00 51.15 C ATOM 1208 C VAL A 75 2.673 2.263 6.855 1.00 23.13 C ATOM 1209 O VAL A 75 3.368 1.411 7.413 1.00 75.34 O ATOM 1210 CB VAL A 75 1.779 2.110 4.533 1.00 13.11 C ATOM 1211 CG1 VAL A 75 1.846 2.670 3.125 1.00 14.21 C ATOM 1212 CG2 VAL A 75 1.820 0.590 4.502 1.00 62.03 C ATOM 0 H VAL A 75 4.435 1.241 5.096 1.00 53.21 H new ATOM 0 HA VAL A 75 2.945 3.757 5.348 1.00 51.15 H new ATOM 0 HB VAL A 75 0.835 2.421 4.980 1.00 13.11 H new ATOM 0 HG11 VAL A 75 1.028 2.261 2.531 1.00 14.21 H new ATOM 0 HG12 VAL A 75 1.760 3.756 3.161 1.00 14.21 H new ATOM 0 HG13 VAL A 75 2.797 2.396 2.669 1.00 14.21 H new ATOM 0 HG21 VAL A 75 1.004 0.217 3.883 1.00 62.03 H new ATOM 0 HG22 VAL A 75 2.772 0.260 4.086 1.00 62.03 H new ATOM 0 HG23 VAL A 75 1.713 0.202 5.515 1.00 62.03 H new ATOM 1222 N GLU A 76 1.675 2.908 7.452 1.00 73.11 N ATOM 1223 CA GLU A 76 1.196 2.570 8.790 1.00 31.21 C ATOM 1224 C GLU A 76 -0.197 1.970 8.693 1.00 10.21 C ATOM 1225 O GLU A 76 -1.046 2.472 7.950 1.00 31.12 O ATOM 1226 CB GLU A 76 1.156 3.824 9.676 1.00 24.31 C ATOM 1227 CG GLU A 76 0.342 3.680 10.963 1.00 51.23 C ATOM 1228 CD GLU A 76 1.009 2.826 12.026 1.00 44.03 C ATOM 1229 OE1 GLU A 76 1.262 1.631 11.772 1.00 52.01 O ATOM 1230 OE2 GLU A 76 1.244 3.339 13.142 1.00 60.42 O ATOM 0 H GLU A 76 1.173 3.684 7.020 1.00 73.11 H new ATOM 0 HA GLU A 76 1.877 1.846 9.237 1.00 31.21 H new ATOM 0 HB2 GLU A 76 2.178 4.098 9.939 1.00 24.31 H new ATOM 0 HB3 GLU A 76 0.745 4.649 9.094 1.00 24.31 H new ATOM 0 HG2 GLU A 76 0.154 4.672 11.374 1.00 51.23 H new ATOM 0 HG3 GLU A 76 -0.628 3.247 10.720 1.00 51.23 H new ATOM 1237 N VAL A 77 -0.434 0.909 9.443 1.00 31.22 N ATOM 1238 CA VAL A 77 -1.739 0.270 9.465 1.00 4.34 C ATOM 1239 C VAL A 77 -2.656 1.017 10.426 1.00 5.12 C ATOM 1240 O VAL A 77 -2.523 0.910 11.646 1.00 31.43 O ATOM 1241 CB VAL A 77 -1.652 -1.217 9.880 1.00 42.13 C ATOM 1242 CG1 VAL A 77 -3.021 -1.880 9.816 1.00 31.13 C ATOM 1243 CG2 VAL A 77 -0.655 -1.962 8.999 1.00 32.11 C ATOM 0 H VAL A 77 0.261 0.470 10.047 1.00 31.22 H new ATOM 0 HA VAL A 77 -2.143 0.306 8.453 1.00 4.34 H new ATOM 0 HB VAL A 77 -1.302 -1.261 10.911 1.00 42.13 H new ATOM 0 HG11 VAL A 77 -2.933 -2.925 10.112 1.00 31.13 H new ATOM 0 HG12 VAL A 77 -3.705 -1.367 10.492 1.00 31.13 H new ATOM 0 HG13 VAL A 77 -3.406 -1.823 8.798 1.00 31.13 H new ATOM 0 HG21 VAL A 77 -0.608 -3.007 9.306 1.00 32.11 H new ATOM 0 HG22 VAL A 77 -0.975 -1.904 7.959 1.00 32.11 H new ATOM 0 HG23 VAL A 77 0.331 -1.509 9.102 1.00 32.11 H new ATOM 1253 N LEU A 78 -3.577 1.790 9.873 1.00 40.21 N ATOM 1254 CA LEU A 78 -4.453 2.627 10.680 1.00 41.51 C ATOM 1255 C LEU A 78 -5.519 1.792 11.368 1.00 12.42 C ATOM 1256 O LEU A 78 -6.040 2.163 12.420 1.00 3.32 O ATOM 1257 CB LEU A 78 -5.098 3.710 9.815 1.00 42.30 C ATOM 1258 CG LEU A 78 -4.114 4.632 9.092 1.00 23.53 C ATOM 1259 CD1 LEU A 78 -4.863 5.630 8.226 1.00 23.20 C ATOM 1260 CD2 LEU A 78 -3.221 5.354 10.092 1.00 44.13 C ATOM 0 H LEU A 78 -3.738 1.856 8.868 1.00 40.21 H new ATOM 0 HA LEU A 78 -3.850 3.108 11.450 1.00 41.51 H new ATOM 0 HB2 LEU A 78 -5.735 3.229 9.072 1.00 42.30 H new ATOM 0 HB3 LEU A 78 -5.747 4.318 10.445 1.00 42.30 H new ATOM 0 HG LEU A 78 -3.480 4.023 8.448 1.00 23.53 H new ATOM 0 HD11 LEU A 78 -4.149 6.279 7.718 1.00 23.20 H new ATOM 0 HD12 LEU A 78 -5.458 5.095 7.486 1.00 23.20 H new ATOM 0 HD13 LEU A 78 -5.520 6.233 8.852 1.00 23.20 H new ATOM 0 HD21 LEU A 78 -2.528 6.005 9.558 1.00 44.13 H new ATOM 0 HD22 LEU A 78 -3.837 5.953 10.764 1.00 44.13 H new ATOM 0 HD23 LEU A 78 -2.658 4.622 10.671 1.00 44.13 H new