USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 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 Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 7 TYR OH : rot 143:sc= -2.91 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.0097) USER MOD Single : A 17 THR OG1 : rot 51:sc= 1.09 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 42 SER OG : rot 81:sc= -0.126 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.28 K(o=-1.3,f=-11!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.175 X(o=0.17,f=0) USER MOD Single : A 62 SER OG : rot -104:sc= 1.31 USER MOD Single : A 73 SER OG : rot -168:sc= 0.00436 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0259 USER MOD Single : A 79 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.0029) USER MOD Single : A 89 GLN : amide:sc= 0.0117 K(o=0.012,f=-0.49) USER MOD Single : A 92 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 5.776 -1.897 -2.538 1.00 5.30 N ATOM 23 CA SER A 3 6.248 -2.756 -3.618 1.00 4.43 C ATOM 24 C SER A 3 7.766 -2.672 -3.754 1.00 73.34 C ATOM 25 O SER A 3 8.430 -3.672 -4.025 1.00 62.12 O ATOM 26 CB SER A 3 5.584 -2.362 -4.938 1.00 73.43 C ATOM 27 OG SER A 3 6.371 -2.765 -6.045 1.00 44.35 O ATOM 0 HA SER A 3 5.978 -3.784 -3.377 1.00 4.43 H new ATOM 0 HB2 SER A 3 4.597 -2.820 -5.003 1.00 73.43 H new ATOM 0 HB3 SER A 3 5.437 -1.282 -4.966 1.00 73.43 H new ATOM 0 HG SER A 3 5.924 -2.503 -6.877 1.00 44.35 H new ATOM 33 N GLN A 4 8.306 -1.473 -3.565 1.00 54.31 N ATOM 34 CA GLN A 4 9.744 -1.258 -3.668 1.00 21.11 C ATOM 35 C GLN A 4 10.459 -1.755 -2.416 1.00 5.31 C ATOM 36 O GLN A 4 10.320 -1.175 -1.339 1.00 12.05 O ATOM 37 CB GLN A 4 10.045 0.226 -3.887 1.00 64.52 C ATOM 38 CG GLN A 4 9.414 1.135 -2.845 1.00 63.12 C ATOM 39 CD GLN A 4 10.427 2.038 -2.169 1.00 53.42 C ATOM 40 OE1 GLN A 4 11.024 2.907 -2.806 1.00 71.32 O ATOM 41 NE2 GLN A 4 10.625 1.839 -0.872 1.00 23.25 N ATOM 0 H GLN A 4 7.769 -0.635 -3.340 1.00 54.31 H new ATOM 0 HA GLN A 4 10.111 -1.825 -4.523 1.00 21.11 H new ATOM 0 HB2 GLN A 4 11.125 0.374 -3.880 1.00 64.52 H new ATOM 0 HB3 GLN A 4 9.690 0.518 -4.875 1.00 64.52 H new ATOM 0 HG2 GLN A 4 8.647 1.747 -3.319 1.00 63.12 H new ATOM 0 HG3 GLN A 4 8.915 0.526 -2.091 1.00 63.12 H new ATOM 0 HE21 GLN A 4 10.109 1.107 -0.384 1.00 23.25 H new ATOM 0 HE22 GLN A 4 11.294 2.418 -0.363 1.00 23.25 H new ATOM 50 N ILE A 5 11.225 -2.831 -2.565 1.00 52.43 N ATOM 51 CA ILE A 5 11.962 -3.404 -1.446 1.00 62.24 C ATOM 52 C ILE A 5 13.323 -3.926 -1.895 1.00 30.32 C ATOM 53 O ILE A 5 13.439 -4.577 -2.934 1.00 12.01 O ATOM 54 CB ILE A 5 11.177 -4.552 -0.784 1.00 63.02 C ATOM 55 CG1 ILE A 5 9.955 -4.003 -0.045 1.00 24.33 C ATOM 56 CG2 ILE A 5 12.075 -5.327 0.168 1.00 64.40 C ATOM 57 CD1 ILE A 5 8.735 -3.850 -0.925 1.00 32.10 C ATOM 0 H ILE A 5 11.351 -3.323 -3.450 1.00 52.43 H new ATOM 0 HA ILE A 5 12.104 -2.605 -0.718 1.00 62.24 H new ATOM 0 HB ILE A 5 10.832 -5.233 -1.562 1.00 63.02 H new ATOM 0 HG12 ILE A 5 9.713 -4.667 0.785 1.00 24.33 H new ATOM 0 HG13 ILE A 5 10.206 -3.034 0.386 1.00 24.33 H new ATOM 0 HG21 ILE A 5 11.506 -6.135 0.628 1.00 64.40 H new ATOM 0 HG22 ILE A 5 12.917 -5.745 -0.385 1.00 64.40 H new ATOM 0 HG23 ILE A 5 12.447 -4.657 0.944 1.00 64.40 H new ATOM 0 HD11 ILE A 5 7.908 -3.456 -0.335 1.00 32.10 H new ATOM 0 HD12 ILE A 5 8.959 -3.162 -1.740 1.00 32.10 H new ATOM 0 HD13 ILE A 5 8.458 -4.821 -1.335 1.00 32.10 H new ATOM 69 N HIS A 6 14.351 -3.638 -1.103 1.00 64.23 N ATOM 70 CA HIS A 6 15.705 -4.081 -1.417 1.00 43.34 C ATOM 71 C HIS A 6 16.431 -4.546 -0.158 1.00 54.23 C ATOM 72 O HIS A 6 16.103 -4.123 0.951 1.00 42.23 O ATOM 73 CB HIS A 6 16.491 -2.952 -2.085 1.00 63.24 C ATOM 74 CG HIS A 6 16.456 -1.664 -1.322 1.00 24.34 C ATOM 75 ND1 HIS A 6 15.432 -0.749 -1.437 1.00 12.35 N ATOM 76 CD2 HIS A 6 17.327 -1.142 -0.427 1.00 3.22 C ATOM 77 CE1 HIS A 6 15.675 0.282 -0.647 1.00 11.11 C ATOM 78 NE2 HIS A 6 16.819 0.068 -0.023 1.00 0.14 N ATOM 0 H HIS A 6 14.272 -3.100 -0.240 1.00 64.23 H new ATOM 0 HA HIS A 6 15.635 -4.923 -2.106 1.00 43.34 H new ATOM 0 HB2 HIS A 6 17.528 -3.265 -2.206 1.00 63.24 H new ATOM 0 HB3 HIS A 6 16.090 -2.783 -3.085 1.00 63.24 H new ATOM 0 HD2 HIS A 6 18.250 -1.593 -0.093 1.00 3.22 H new ATOM 0 HE1 HIS A 6 15.045 1.152 -0.531 1.00 11.11 H new ATOM 0 HE2 HIS A 6 17.254 0.699 0.650 1.00 0.14 H new ATOM 86 N TYR A 7 17.416 -5.419 -0.337 1.00 51.54 N ATOM 87 CA TYR A 7 18.185 -5.944 0.784 1.00 2.55 C ATOM 88 C TYR A 7 19.682 -5.870 0.500 1.00 3.03 C ATOM 89 O TYR A 7 20.100 -5.649 -0.636 1.00 53.15 O ATOM 90 CB TYR A 7 17.780 -7.390 1.075 1.00 4.43 C ATOM 91 CG TYR A 7 16.284 -7.604 1.113 1.00 1.31 C ATOM 92 CD1 TYR A 7 15.466 -6.789 1.886 1.00 34.32 C ATOM 93 CD2 TYR A 7 15.689 -8.621 0.377 1.00 51.50 C ATOM 94 CE1 TYR A 7 14.098 -6.981 1.925 1.00 60.44 C ATOM 95 CE2 TYR A 7 14.322 -8.819 0.408 1.00 22.01 C ATOM 96 CZ TYR A 7 13.531 -7.997 1.183 1.00 21.14 C ATOM 97 OH TYR A 7 12.169 -8.193 1.218 1.00 4.52 O ATOM 0 H TYR A 7 17.701 -5.778 -1.248 1.00 51.54 H new ATOM 0 HA TYR A 7 17.969 -5.331 1.659 1.00 2.55 H new ATOM 0 HB2 TYR A 7 18.212 -8.040 0.314 1.00 4.43 H new ATOM 0 HB3 TYR A 7 18.206 -7.692 2.032 1.00 4.43 H new ATOM 0 HD1 TYR A 7 15.907 -5.992 2.466 1.00 34.32 H new ATOM 0 HD2 TYR A 7 16.305 -9.268 -0.230 1.00 51.50 H new ATOM 0 HE1 TYR A 7 13.476 -6.340 2.532 1.00 60.44 H new ATOM 0 HE2 TYR A 7 13.875 -9.613 -0.172 1.00 22.01 H new ATOM 0 HH TYR A 7 11.854 -8.459 0.329 1.00 4.52 H new ATOM 107 N SER A 8 20.486 -6.058 1.542 1.00 13.24 N ATOM 108 CA SER A 8 21.937 -6.010 1.407 1.00 11.23 C ATOM 109 C SER A 8 22.576 -7.282 1.957 1.00 51.35 C ATOM 110 O SER A 8 22.277 -7.707 3.073 1.00 71.34 O ATOM 111 CB SER A 8 22.498 -4.788 2.137 1.00 40.44 C ATOM 112 OG SER A 8 23.726 -4.372 1.565 1.00 63.10 O ATOM 0 H SER A 8 20.157 -6.245 2.489 1.00 13.24 H new ATOM 0 HA SER A 8 22.176 -5.933 0.346 1.00 11.23 H new ATOM 0 HB2 SER A 8 21.777 -3.971 2.093 1.00 40.44 H new ATOM 0 HB3 SER A 8 22.646 -5.026 3.190 1.00 40.44 H new ATOM 0 HG SER A 8 24.063 -3.589 2.048 1.00 63.10 H new ATOM 118 N ILE A 9 23.457 -7.883 1.164 1.00 32.23 N ATOM 119 CA ILE A 9 24.139 -9.105 1.571 1.00 62.42 C ATOM 120 C ILE A 9 25.544 -9.173 0.980 1.00 35.33 C ATOM 121 O ILE A 9 25.748 -8.998 -0.221 1.00 72.42 O ATOM 122 CB ILE A 9 23.353 -10.358 1.142 1.00 61.40 C ATOM 123 CG1 ILE A 9 24.247 -11.598 1.214 1.00 4.21 C ATOM 124 CG2 ILE A 9 22.798 -10.180 -0.263 1.00 71.22 C ATOM 125 CD1 ILE A 9 24.865 -11.976 -0.114 1.00 55.22 C ATOM 0 H ILE A 9 23.715 -7.544 0.237 1.00 32.23 H new ATOM 0 HA ILE A 9 24.205 -9.082 2.659 1.00 62.42 H new ATOM 0 HB ILE A 9 22.517 -10.496 1.827 1.00 61.40 H new ATOM 0 HG12 ILE A 9 25.042 -11.421 1.938 1.00 4.21 H new ATOM 0 HG13 ILE A 9 23.660 -12.438 1.584 1.00 4.21 H new ATOM 0 HG21 ILE A 9 22.245 -11.074 -0.552 1.00 71.22 H new ATOM 0 HG22 ILE A 9 22.131 -9.318 -0.284 1.00 71.22 H new ATOM 0 HG23 ILE A 9 23.620 -10.020 -0.961 1.00 71.22 H new ATOM 0 HD11 ILE A 9 25.485 -12.863 0.013 1.00 55.22 H new ATOM 0 HD12 ILE A 9 24.076 -12.185 -0.836 1.00 55.22 H new ATOM 0 HD13 ILE A 9 25.480 -11.152 -0.477 1.00 55.22 H new ATOM 137 N PRO A 10 26.536 -9.435 1.843 1.00 23.14 N ATOM 138 CA PRO A 10 27.939 -9.535 1.430 1.00 41.12 C ATOM 139 C PRO A 10 28.209 -10.779 0.590 1.00 11.04 C ATOM 140 O PRO A 10 27.761 -11.874 0.927 1.00 32.40 O ATOM 141 CB PRO A 10 28.696 -9.612 2.758 1.00 11.41 C ATOM 142 CG PRO A 10 27.709 -10.170 3.724 1.00 24.55 C ATOM 143 CD PRO A 10 26.366 -9.655 3.290 1.00 53.55 C ATOM 0 HA PRO A 10 28.239 -8.697 0.801 1.00 41.12 H new ATOM 0 HB2 PRO A 10 29.575 -10.251 2.676 1.00 11.41 H new ATOM 0 HB3 PRO A 10 29.045 -8.628 3.072 1.00 11.41 H new ATOM 0 HG2 PRO A 10 27.730 -11.260 3.717 1.00 24.55 H new ATOM 0 HG3 PRO A 10 27.938 -9.854 4.742 1.00 24.55 H new ATOM 0 HD2 PRO A 10 25.574 -10.375 3.497 1.00 53.55 H new ATOM 0 HD3 PRO A 10 26.102 -8.733 3.808 1.00 53.55 H new ATOM 151 N GLU A 11 28.944 -10.602 -0.503 1.00 0.31 N ATOM 152 CA GLU A 11 29.273 -11.711 -1.390 1.00 35.50 C ATOM 153 C GLU A 11 29.798 -12.905 -0.597 1.00 41.40 C ATOM 154 O GLU A 11 30.242 -12.759 0.541 1.00 13.24 O ATOM 155 CB GLU A 11 30.311 -11.276 -2.425 1.00 44.43 C ATOM 156 CG GLU A 11 29.757 -11.166 -3.836 1.00 15.15 C ATOM 157 CD GLU A 11 30.595 -11.915 -4.852 1.00 63.25 C ATOM 158 OE1 GLU A 11 31.814 -12.064 -4.622 1.00 13.23 O ATOM 159 OE2 GLU A 11 30.034 -12.353 -5.879 1.00 2.34 O ATOM 0 H GLU A 11 29.323 -9.701 -0.795 1.00 0.31 H new ATOM 0 HA GLU A 11 28.361 -12.012 -1.906 1.00 35.50 H new ATOM 0 HB2 GLU A 11 30.723 -10.311 -2.130 1.00 44.43 H new ATOM 0 HB3 GLU A 11 31.135 -11.989 -2.422 1.00 44.43 H new ATOM 0 HG2 GLU A 11 28.739 -11.554 -3.854 1.00 15.15 H new ATOM 0 HG3 GLU A 11 29.702 -10.115 -4.120 1.00 15.15 H new ATOM 166 N GLU A 12 29.744 -14.084 -1.208 1.00 33.11 N ATOM 167 CA GLU A 12 30.213 -15.302 -0.558 1.00 71.44 C ATOM 168 C GLU A 12 29.359 -15.631 0.663 1.00 62.20 C ATOM 169 O GLU A 12 29.845 -16.206 1.637 1.00 43.43 O ATOM 170 CB GLU A 12 31.679 -15.154 -0.145 1.00 34.31 C ATOM 171 CG GLU A 12 32.400 -16.481 0.025 1.00 41.34 C ATOM 172 CD GLU A 12 33.609 -16.607 -0.882 1.00 21.31 C ATOM 173 OE1 GLU A 12 33.559 -16.084 -2.015 1.00 23.43 O ATOM 174 OE2 GLU A 12 34.605 -17.230 -0.458 1.00 4.54 O ATOM 0 H GLU A 12 29.381 -14.222 -2.151 1.00 33.11 H new ATOM 0 HA GLU A 12 30.125 -16.121 -1.272 1.00 71.44 H new ATOM 0 HB2 GLU A 12 32.201 -14.560 -0.895 1.00 34.31 H new ATOM 0 HB3 GLU A 12 31.730 -14.600 0.792 1.00 34.31 H new ATOM 0 HG2 GLU A 12 32.716 -16.589 1.063 1.00 41.34 H new ATOM 0 HG3 GLU A 12 31.707 -17.296 -0.183 1.00 41.34 H new ATOM 181 N ALA A 13 28.084 -15.262 0.603 1.00 50.20 N ATOM 182 CA ALA A 13 27.162 -15.518 1.702 1.00 31.24 C ATOM 183 C ALA A 13 26.773 -16.991 1.760 1.00 33.52 C ATOM 184 O ALA A 13 26.222 -17.537 0.804 1.00 63.24 O ATOM 185 CB ALA A 13 25.922 -14.648 1.565 1.00 54.32 C ATOM 0 H ALA A 13 27.666 -14.785 -0.196 1.00 50.20 H new ATOM 0 HA ALA A 13 27.668 -15.265 2.634 1.00 31.24 H new ATOM 0 HB1 ALA A 13 25.242 -14.850 2.393 1.00 54.32 H new ATOM 0 HB2 ALA A 13 26.211 -13.597 1.581 1.00 54.32 H new ATOM 0 HB3 ALA A 13 25.422 -14.872 0.623 1.00 54.32 H new ATOM 191 N LYS A 14 27.063 -17.631 2.888 1.00 34.30 N ATOM 192 CA LYS A 14 26.743 -19.042 3.072 1.00 51.01 C ATOM 193 C LYS A 14 25.256 -19.230 3.356 1.00 60.44 C ATOM 194 O LYS A 14 24.565 -18.290 3.749 1.00 72.12 O ATOM 195 CB LYS A 14 27.570 -19.628 4.218 1.00 31.42 C ATOM 196 CG LYS A 14 29.069 -19.496 4.016 1.00 5.32 C ATOM 197 CD LYS A 14 29.820 -19.585 5.335 1.00 52.15 C ATOM 198 CE LYS A 14 30.985 -18.609 5.380 1.00 42.43 C ATOM 199 NZ LYS A 14 32.275 -19.297 5.661 1.00 62.52 N ATOM 0 H LYS A 14 27.519 -17.195 3.689 1.00 34.30 H new ATOM 0 HA LYS A 14 26.988 -19.568 2.149 1.00 51.01 H new ATOM 0 HB2 LYS A 14 27.292 -19.130 5.147 1.00 31.42 H new ATOM 0 HB3 LYS A 14 27.319 -20.682 4.334 1.00 31.42 H new ATOM 0 HG2 LYS A 14 29.417 -20.281 3.345 1.00 5.32 H new ATOM 0 HG3 LYS A 14 29.290 -18.543 3.534 1.00 5.32 H new ATOM 0 HD2 LYS A 14 29.137 -19.376 6.158 1.00 52.15 H new ATOM 0 HD3 LYS A 14 30.189 -20.601 5.477 1.00 52.15 H new ATOM 0 HE2 LYS A 14 31.054 -18.082 4.428 1.00 42.43 H new ATOM 0 HE3 LYS A 14 30.800 -17.858 6.147 1.00 42.43 H new ATOM 0 HZ1 LYS A 14 33.044 -18.597 5.683 1.00 62.52 H new ATOM 0 HZ2 LYS A 14 32.218 -19.779 6.581 1.00 62.52 H new ATOM 0 HZ3 LYS A 14 32.465 -19.996 4.915 1.00 62.52 H new ATOM 213 N HIS A 15 24.770 -20.451 3.155 1.00 31.20 N ATOM 214 CA HIS A 15 23.365 -20.763 3.392 1.00 52.04 C ATOM 215 C HIS A 15 22.935 -20.311 4.784 1.00 52.52 C ATOM 216 O HIS A 15 23.434 -20.809 5.791 1.00 23.43 O ATOM 217 CB HIS A 15 23.120 -22.264 3.232 1.00 54.30 C ATOM 218 CG HIS A 15 23.042 -22.709 1.804 1.00 33.42 C ATOM 219 ND1 HIS A 15 23.338 -23.994 1.399 1.00 4.35 N ATOM 220 CD2 HIS A 15 22.696 -22.034 0.683 1.00 5.44 C ATOM 221 CE1 HIS A 15 23.181 -24.088 0.091 1.00 34.23 C ATOM 222 NE2 HIS A 15 22.791 -22.912 -0.367 1.00 60.54 N ATOM 0 H HIS A 15 25.328 -21.240 2.829 1.00 31.20 H new ATOM 0 HA HIS A 15 22.770 -20.225 2.655 1.00 52.04 H new ATOM 0 HB2 HIS A 15 23.921 -22.810 3.731 1.00 54.30 H new ATOM 0 HB3 HIS A 15 22.191 -22.528 3.738 1.00 54.30 H new ATOM 0 HD2 HIS A 15 22.400 -20.997 0.626 1.00 5.44 H new ATOM 0 HE1 HIS A 15 23.344 -24.975 -0.503 1.00 34.23 H new ATOM 0 HE2 HIS A 15 22.593 -22.692 -1.343 1.00 60.54 H new ATOM 230 N GLY A 16 22.005 -19.361 4.832 1.00 70.24 N ATOM 231 CA GLY A 16 21.524 -18.857 6.105 1.00 45.02 C ATOM 232 C GLY A 16 22.071 -17.480 6.427 1.00 61.32 C ATOM 233 O GLY A 16 21.885 -16.973 7.533 1.00 5.24 O ATOM 0 H GLY A 16 21.577 -18.932 4.012 1.00 70.24 H new ATOM 0 HA2 GLY A 16 20.435 -18.817 6.089 1.00 45.02 H new ATOM 0 HA3 GLY A 16 21.806 -19.551 6.897 1.00 45.02 H new ATOM 237 N THR A 17 22.749 -16.873 5.458 1.00 44.00 N ATOM 238 CA THR A 17 23.327 -15.548 5.644 1.00 24.23 C ATOM 239 C THR A 17 22.242 -14.481 5.727 1.00 33.32 C ATOM 240 O THR A 17 21.241 -14.543 5.013 1.00 33.20 O ATOM 241 CB THR A 17 24.295 -15.192 4.500 1.00 3.53 C ATOM 242 OG1 THR A 17 25.466 -16.013 4.575 1.00 11.11 O ATOM 243 CG2 THR A 17 24.694 -13.725 4.566 1.00 53.11 C ATOM 0 H THR A 17 22.911 -17.278 4.536 1.00 44.00 H new ATOM 0 HA THR A 17 23.880 -15.574 6.583 1.00 24.23 H new ATOM 0 HB THR A 17 23.785 -15.372 3.553 1.00 3.53 H new ATOM 0 HG1 THR A 17 25.202 -16.954 4.646 1.00 11.11 H new ATOM 0 HG21 THR A 17 25.378 -13.497 3.748 1.00 53.11 H new ATOM 0 HG22 THR A 17 23.804 -13.102 4.479 1.00 53.11 H new ATOM 0 HG23 THR A 17 25.186 -13.524 5.518 1.00 53.11 H new ATOM 251 N PHE A 18 22.446 -13.503 6.603 1.00 50.33 N ATOM 252 CA PHE A 18 21.484 -12.421 6.779 1.00 74.41 C ATOM 253 C PHE A 18 21.413 -11.547 5.530 1.00 2.04 C ATOM 254 O PHE A 18 22.435 -11.236 4.918 1.00 10.43 O ATOM 255 CB PHE A 18 21.859 -11.568 7.992 1.00 25.22 C ATOM 256 CG PHE A 18 21.220 -10.209 7.991 1.00 63.15 C ATOM 257 CD1 PHE A 18 19.980 -10.012 8.575 1.00 12.34 C ATOM 258 CD2 PHE A 18 21.860 -9.129 7.405 1.00 41.33 C ATOM 259 CE1 PHE A 18 19.389 -8.762 8.574 1.00 21.14 C ATOM 260 CE2 PHE A 18 21.275 -7.877 7.401 1.00 15.30 C ATOM 261 CZ PHE A 18 20.038 -7.693 7.988 1.00 72.13 C ATOM 0 H PHE A 18 23.269 -13.437 7.202 1.00 50.33 H new ATOM 0 HA PHE A 18 20.503 -12.865 6.946 1.00 74.41 H new ATOM 0 HB2 PHE A 18 21.569 -12.096 8.901 1.00 25.22 H new ATOM 0 HB3 PHE A 18 22.942 -11.451 8.023 1.00 25.22 H new ATOM 0 HD1 PHE A 18 19.469 -10.844 9.036 1.00 12.34 H new ATOM 0 HD2 PHE A 18 22.828 -9.267 6.946 1.00 41.33 H new ATOM 0 HE1 PHE A 18 18.421 -8.622 9.031 1.00 21.14 H new ATOM 0 HE2 PHE A 18 21.784 -7.044 6.940 1.00 15.30 H new ATOM 0 HZ PHE A 18 19.579 -6.715 7.989 1.00 72.13 H new ATOM 271 N VAL A 19 20.199 -11.154 5.158 1.00 61.32 N ATOM 272 CA VAL A 19 19.994 -10.316 3.983 1.00 12.40 C ATOM 273 C VAL A 19 19.162 -9.085 4.325 1.00 2.42 C ATOM 274 O VAL A 19 19.470 -7.975 3.893 1.00 41.31 O ATOM 275 CB VAL A 19 19.296 -11.095 2.852 1.00 3.31 C ATOM 276 CG1 VAL A 19 19.229 -10.254 1.587 1.00 44.45 C ATOM 277 CG2 VAL A 19 20.014 -12.410 2.591 1.00 61.24 C ATOM 0 H VAL A 19 19.343 -11.403 5.653 1.00 61.32 H new ATOM 0 HA VAL A 19 20.981 -10.002 3.642 1.00 12.40 H new ATOM 0 HB VAL A 19 18.276 -11.320 3.164 1.00 3.31 H new ATOM 0 HG11 VAL A 19 18.733 -10.821 0.799 1.00 44.45 H new ATOM 0 HG12 VAL A 19 18.667 -9.341 1.786 1.00 44.45 H new ATOM 0 HG13 VAL A 19 20.239 -9.996 1.268 1.00 44.45 H new ATOM 0 HG21 VAL A 19 19.508 -12.948 1.789 1.00 61.24 H new ATOM 0 HG22 VAL A 19 21.045 -12.210 2.299 1.00 61.24 H new ATOM 0 HG23 VAL A 19 20.004 -13.016 3.497 1.00 61.24 H new ATOM 287 N GLY A 20 18.105 -9.289 5.106 1.00 64.12 N ATOM 288 CA GLY A 20 17.245 -8.187 5.494 1.00 41.44 C ATOM 289 C GLY A 20 15.806 -8.618 5.697 1.00 3.33 C ATOM 290 O GLY A 20 15.224 -9.285 4.842 1.00 41.21 O ATOM 0 H GLY A 20 17.829 -10.198 5.477 1.00 64.12 H new ATOM 0 HA2 GLY A 20 17.622 -7.743 6.416 1.00 41.44 H new ATOM 0 HA3 GLY A 20 17.284 -7.412 4.728 1.00 41.44 H new ATOM 294 N ARG A 21 15.232 -8.238 6.834 1.00 55.32 N ATOM 295 CA ARG A 21 13.853 -8.592 7.148 1.00 13.14 C ATOM 296 C ARG A 21 12.930 -8.281 5.973 1.00 20.34 C ATOM 297 O ARG A 21 12.562 -7.128 5.749 1.00 14.00 O ATOM 298 CB ARG A 21 13.382 -7.838 8.394 1.00 74.54 C ATOM 299 CG ARG A 21 13.423 -8.674 9.663 1.00 41.32 C ATOM 300 CD ARG A 21 12.178 -8.462 10.510 1.00 60.01 C ATOM 301 NE ARG A 21 12.232 -9.216 11.760 1.00 54.24 N ATOM 302 CZ ARG A 21 12.933 -8.832 12.820 1.00 3.31 C ATOM 303 NH1 ARG A 21 13.637 -7.708 12.782 1.00 35.44 N ATOM 304 NH2 ARG A 21 12.932 -9.572 13.922 1.00 50.44 N ATOM 0 H ARG A 21 15.700 -7.686 7.552 1.00 55.32 H new ATOM 0 HA ARG A 21 13.815 -9.664 7.343 1.00 13.14 H new ATOM 0 HB2 ARG A 21 14.005 -6.954 8.531 1.00 74.54 H new ATOM 0 HB3 ARG A 21 12.363 -7.487 8.233 1.00 74.54 H new ATOM 0 HG2 ARG A 21 13.512 -9.729 9.403 1.00 41.32 H new ATOM 0 HG3 ARG A 21 14.308 -8.413 10.243 1.00 41.32 H new ATOM 0 HD2 ARG A 21 12.066 -7.401 10.731 1.00 60.01 H new ATOM 0 HD3 ARG A 21 11.298 -8.763 9.942 1.00 60.01 H new ATOM 0 HE ARG A 21 11.702 -10.085 11.822 1.00 54.24 H new ATOM 0 HH11 ARG A 21 13.640 -7.137 11.937 1.00 35.44 H new ATOM 0 HH12 ARG A 21 14.175 -7.415 13.598 1.00 35.44 H new ATOM 0 HH21 ARG A 21 12.392 -10.437 13.955 1.00 50.44 H new ATOM 0 HH22 ARG A 21 13.471 -9.276 14.736 1.00 50.44 H new ATOM 318 N ILE A 22 12.562 -9.317 5.227 1.00 35.24 N ATOM 319 CA ILE A 22 11.682 -9.155 4.077 1.00 51.45 C ATOM 320 C ILE A 22 10.286 -8.719 4.509 1.00 50.22 C ATOM 321 O ILE A 22 9.622 -7.950 3.815 1.00 41.45 O ATOM 322 CB ILE A 22 11.572 -10.458 3.264 1.00 73.14 C ATOM 323 CG1 ILE A 22 10.479 -10.331 2.200 1.00 13.15 C ATOM 324 CG2 ILE A 22 11.287 -11.635 4.185 1.00 5.32 C ATOM 325 CD1 ILE A 22 10.821 -11.018 0.897 1.00 52.21 C ATOM 0 H ILE A 22 12.860 -10.277 5.399 1.00 35.24 H new ATOM 0 HA ILE A 22 12.123 -8.381 3.449 1.00 51.45 H new ATOM 0 HB ILE A 22 12.523 -10.636 2.762 1.00 73.14 H new ATOM 0 HG12 ILE A 22 9.552 -10.752 2.591 1.00 13.15 H new ATOM 0 HG13 ILE A 22 10.293 -9.275 2.006 1.00 13.15 H new ATOM 0 HG21 ILE A 22 11.212 -12.549 3.595 1.00 5.32 H new ATOM 0 HG22 ILE A 22 12.096 -11.735 4.908 1.00 5.32 H new ATOM 0 HG23 ILE A 22 10.348 -11.465 4.712 1.00 5.32 H new ATOM 0 HD11 ILE A 22 10.001 -10.887 0.190 1.00 52.21 H new ATOM 0 HD12 ILE A 22 11.730 -10.582 0.483 1.00 52.21 H new ATOM 0 HD13 ILE A 22 10.978 -12.082 1.077 1.00 52.21 H new ATOM 337 N ALA A 23 9.848 -9.214 5.661 1.00 33.53 N ATOM 338 CA ALA A 23 8.532 -8.873 6.189 1.00 64.33 C ATOM 339 C ALA A 23 8.483 -7.418 6.643 1.00 64.35 C ATOM 340 O ALA A 23 7.462 -6.748 6.497 1.00 52.25 O ATOM 341 CB ALA A 23 8.169 -9.800 7.340 1.00 54.44 C ATOM 0 H ALA A 23 10.385 -9.853 6.247 1.00 33.53 H new ATOM 0 HA ALA A 23 7.802 -9.001 5.390 1.00 64.33 H new ATOM 0 HB1 ALA A 23 7.184 -9.534 7.725 1.00 54.44 H new ATOM 0 HB2 ALA A 23 8.154 -10.831 6.986 1.00 54.44 H new ATOM 0 HB3 ALA A 23 8.908 -9.700 8.135 1.00 54.44 H new ATOM 347 N GLN A 24 9.593 -6.937 7.194 1.00 62.45 N ATOM 348 CA GLN A 24 9.675 -5.562 7.670 1.00 51.32 C ATOM 349 C GLN A 24 9.553 -4.577 6.512 1.00 52.41 C ATOM 350 O GLN A 24 8.869 -3.559 6.620 1.00 53.24 O ATOM 351 CB GLN A 24 10.993 -5.334 8.412 1.00 61.12 C ATOM 352 CG GLN A 24 11.102 -3.959 9.051 1.00 72.10 C ATOM 353 CD GLN A 24 11.545 -4.022 10.499 1.00 32.34 C ATOM 354 OE1 GLN A 24 10.879 -4.630 11.338 1.00 11.44 O ATOM 355 NE2 GLN A 24 12.675 -3.394 10.801 1.00 10.40 N ATOM 0 H GLN A 24 10.447 -7.479 7.322 1.00 62.45 H new ATOM 0 HA GLN A 24 8.846 -5.392 8.357 1.00 51.32 H new ATOM 0 HB2 GLN A 24 11.101 -6.094 9.185 1.00 61.12 H new ATOM 0 HB3 GLN A 24 11.820 -5.468 7.715 1.00 61.12 H new ATOM 0 HG2 GLN A 24 11.810 -3.354 8.484 1.00 72.10 H new ATOM 0 HG3 GLN A 24 10.136 -3.458 8.992 1.00 72.10 H new ATOM 0 HE21 GLN A 24 13.195 -2.902 10.074 1.00 10.40 H new ATOM 0 HE22 GLN A 24 13.023 -3.403 11.760 1.00 10.40 H new ATOM 364 N ASP A 25 10.220 -4.886 5.406 1.00 44.11 N ATOM 365 CA ASP A 25 10.186 -4.028 4.227 1.00 2.01 C ATOM 366 C ASP A 25 8.855 -4.165 3.494 1.00 44.21 C ATOM 367 O ASP A 25 8.553 -3.391 2.584 1.00 20.13 O ATOM 368 CB ASP A 25 11.340 -4.374 3.284 1.00 32.14 C ATOM 369 CG ASP A 25 11.964 -3.143 2.657 1.00 24.25 C ATOM 370 OD1 ASP A 25 11.221 -2.183 2.367 1.00 53.32 O ATOM 371 OD2 ASP A 25 13.197 -3.140 2.458 1.00 10.12 O ATOM 0 H ASP A 25 10.791 -5.725 5.301 1.00 44.11 H new ATOM 0 HA ASP A 25 10.294 -2.995 4.557 1.00 2.01 H new ATOM 0 HB2 ASP A 25 12.103 -4.924 3.835 1.00 32.14 H new ATOM 0 HB3 ASP A 25 10.977 -5.035 2.497 1.00 32.14 H new ATOM 376 N LEU A 26 8.064 -5.154 3.894 1.00 2.25 N ATOM 377 CA LEU A 26 6.765 -5.393 3.275 1.00 23.20 C ATOM 378 C LEU A 26 5.646 -4.755 4.092 1.00 45.21 C ATOM 379 O LEU A 26 4.704 -4.191 3.538 1.00 34.11 O ATOM 380 CB LEU A 26 6.515 -6.896 3.133 1.00 1.41 C ATOM 381 CG LEU A 26 6.830 -7.502 1.765 1.00 21.22 C ATOM 382 CD1 LEU A 26 8.255 -7.172 1.350 1.00 3.22 C ATOM 383 CD2 LEU A 26 6.615 -9.008 1.787 1.00 33.54 C ATOM 0 H LEU A 26 8.299 -5.804 4.644 1.00 2.25 H new ATOM 0 HA LEU A 26 6.772 -4.936 2.285 1.00 23.20 H new ATOM 0 HB2 LEU A 26 7.110 -7.416 3.884 1.00 1.41 H new ATOM 0 HB3 LEU A 26 5.468 -7.093 3.363 1.00 1.41 H new ATOM 0 HG LEU A 26 6.150 -7.068 1.032 1.00 21.22 H new ATOM 0 HD11 LEU A 26 8.461 -7.612 0.374 1.00 3.22 H new ATOM 0 HD12 LEU A 26 8.376 -6.090 1.294 1.00 3.22 H new ATOM 0 HD13 LEU A 26 8.951 -7.577 2.085 1.00 3.22 H new ATOM 0 HD21 LEU A 26 6.844 -9.423 0.805 1.00 33.54 H new ATOM 0 HD22 LEU A 26 7.270 -9.458 2.533 1.00 33.54 H new ATOM 0 HD23 LEU A 26 5.577 -9.224 2.039 1.00 33.54 H new ATOM 395 N GLY A 27 5.759 -4.846 5.414 1.00 45.34 N ATOM 396 CA GLY A 27 4.752 -4.271 6.286 1.00 50.34 C ATOM 397 C GLY A 27 3.649 -5.254 6.624 1.00 11.23 C ATOM 398 O GLY A 27 2.468 -4.905 6.601 1.00 73.42 O ATOM 0 H GLY A 27 6.530 -5.308 5.896 1.00 45.34 H new ATOM 0 HA2 GLY A 27 5.225 -3.930 7.207 1.00 50.34 H new ATOM 0 HA3 GLY A 27 4.318 -3.394 5.806 1.00 50.34 H new ATOM 402 N LEU A 28 4.033 -6.486 6.938 1.00 31.05 N ATOM 403 CA LEU A 28 3.067 -7.524 7.282 1.00 63.21 C ATOM 404 C LEU A 28 3.511 -8.292 8.523 1.00 43.20 C ATOM 405 O LEU A 28 4.579 -8.031 9.076 1.00 13.35 O ATOM 406 CB LEU A 28 2.887 -8.489 6.109 1.00 63.13 C ATOM 407 CG LEU A 28 4.059 -8.583 5.131 1.00 40.43 C ATOM 408 CD1 LEU A 28 5.277 -9.186 5.813 1.00 72.10 C ATOM 409 CD2 LEU A 28 3.670 -9.401 3.909 1.00 74.54 C ATOM 0 H LEU A 28 5.006 -6.791 6.962 1.00 31.05 H new ATOM 0 HA LEU A 28 2.114 -7.041 7.498 1.00 63.21 H new ATOM 0 HB2 LEU A 28 2.693 -9.484 6.510 1.00 63.13 H new ATOM 0 HB3 LEU A 28 1.998 -8.191 5.552 1.00 63.13 H new ATOM 0 HG LEU A 28 4.314 -7.576 4.802 1.00 40.43 H new ATOM 0 HD11 LEU A 28 6.101 -9.245 5.101 1.00 72.10 H new ATOM 0 HD12 LEU A 28 5.570 -8.560 6.656 1.00 72.10 H new ATOM 0 HD13 LEU A 28 5.035 -10.187 6.172 1.00 72.10 H new ATOM 0 HD21 LEU A 28 4.516 -9.457 3.224 1.00 74.54 H new ATOM 0 HD22 LEU A 28 3.387 -10.407 4.219 1.00 74.54 H new ATOM 0 HD23 LEU A 28 2.827 -8.926 3.406 1.00 74.54 H new ATOM 421 N GLU A 29 2.685 -9.241 8.953 1.00 43.33 N ATOM 422 CA GLU A 29 2.994 -10.047 10.128 1.00 45.13 C ATOM 423 C GLU A 29 3.585 -11.395 9.723 1.00 52.41 C ATOM 424 O GLU A 29 3.367 -11.871 8.608 1.00 31.01 O ATOM 425 CB GLU A 29 1.736 -10.262 10.972 1.00 44.32 C ATOM 426 CG GLU A 29 1.668 -9.371 12.201 1.00 45.33 C ATOM 427 CD GLU A 29 0.245 -9.030 12.597 1.00 72.44 C ATOM 428 OE1 GLU A 29 -0.436 -8.331 11.817 1.00 30.22 O ATOM 429 OE2 GLU A 29 -0.188 -9.463 13.685 1.00 54.40 O ATOM 0 H GLU A 29 1.798 -9.470 8.505 1.00 43.33 H new ATOM 0 HA GLU A 29 3.733 -9.509 10.722 1.00 45.13 H new ATOM 0 HB2 GLU A 29 0.858 -10.080 10.353 1.00 44.32 H new ATOM 0 HB3 GLU A 29 1.694 -11.305 11.287 1.00 44.32 H new ATOM 0 HG2 GLU A 29 2.163 -9.869 13.034 1.00 45.33 H new ATOM 0 HG3 GLU A 29 2.218 -8.450 12.008 1.00 45.33 H new ATOM 436 N LEU A 30 4.333 -12.004 10.636 1.00 45.25 N ATOM 437 CA LEU A 30 4.957 -13.297 10.375 1.00 54.12 C ATOM 438 C LEU A 30 3.907 -14.401 10.298 1.00 64.31 C ATOM 439 O LEU A 30 4.044 -15.351 9.526 1.00 43.24 O ATOM 440 CB LEU A 30 5.977 -13.623 11.466 1.00 4.55 C ATOM 441 CG LEU A 30 7.449 -13.488 11.072 1.00 75.05 C ATOM 442 CD1 LEU A 30 7.893 -14.690 10.253 1.00 44.24 C ATOM 443 CD2 LEU A 30 7.677 -12.198 10.297 1.00 71.32 C ATOM 0 H LEU A 30 4.522 -11.624 11.563 1.00 45.25 H new ATOM 0 HA LEU A 30 5.469 -13.239 9.414 1.00 54.12 H new ATOM 0 HB2 LEU A 30 5.789 -12.970 12.318 1.00 4.55 H new ATOM 0 HB3 LEU A 30 5.804 -14.645 11.803 1.00 4.55 H new ATOM 0 HG LEU A 30 8.048 -13.452 11.982 1.00 75.05 H new ATOM 0 HD11 LEU A 30 8.943 -14.577 9.981 1.00 44.24 H new ATOM 0 HD12 LEU A 30 7.766 -15.598 10.842 1.00 44.24 H new ATOM 0 HD13 LEU A 30 7.289 -14.757 9.348 1.00 44.24 H new ATOM 0 HD21 LEU A 30 8.729 -12.118 10.025 1.00 71.32 H new ATOM 0 HD22 LEU A 30 7.068 -12.204 9.393 1.00 71.32 H new ATOM 0 HD23 LEU A 30 7.397 -11.347 10.917 1.00 71.32 H new ATOM 455 N THR A 31 2.857 -14.270 11.103 1.00 63.23 N ATOM 456 CA THR A 31 1.784 -15.256 11.125 1.00 0.25 C ATOM 457 C THR A 31 0.767 -14.986 10.023 1.00 74.43 C ATOM 458 O THR A 31 -0.244 -15.680 9.916 1.00 13.33 O ATOM 459 CB THR A 31 1.060 -15.267 12.485 1.00 52.41 C ATOM 460 OG1 THR A 31 0.936 -13.930 12.985 1.00 64.42 O ATOM 461 CG2 THR A 31 1.812 -16.123 13.492 1.00 5.32 C ATOM 0 H THR A 31 2.727 -13.491 11.748 1.00 63.23 H new ATOM 0 HA THR A 31 2.245 -16.230 10.959 1.00 0.25 H new ATOM 0 HB THR A 31 0.068 -15.694 12.340 1.00 52.41 H new ATOM 0 HG1 THR A 31 0.473 -13.945 13.849 1.00 64.42 H new ATOM 0 HG21 THR A 31 1.282 -16.115 14.444 1.00 5.32 H new ATOM 0 HG22 THR A 31 1.878 -17.146 13.122 1.00 5.32 H new ATOM 0 HG23 THR A 31 2.816 -15.722 13.633 1.00 5.32 H new ATOM 469 N GLU A 32 1.042 -13.976 9.204 1.00 13.31 N ATOM 470 CA GLU A 32 0.149 -13.616 8.109 1.00 14.31 C ATOM 471 C GLU A 32 0.648 -14.193 6.788 1.00 40.54 C ATOM 472 O GLU A 32 -0.110 -14.315 5.824 1.00 1.43 O ATOM 473 CB GLU A 32 0.026 -12.094 8.000 1.00 23.33 C ATOM 474 CG GLU A 32 -1.349 -11.566 8.373 1.00 62.02 C ATOM 475 CD GLU A 32 -1.617 -11.638 9.863 1.00 13.15 C ATOM 476 OE1 GLU A 32 -1.351 -12.701 10.463 1.00 41.30 O ATOM 477 OE2 GLU A 32 -2.094 -10.632 10.430 1.00 24.43 O ATOM 0 H GLU A 32 1.876 -13.393 9.278 1.00 13.31 H new ATOM 0 HA GLU A 32 -0.833 -14.038 8.322 1.00 14.31 H new ATOM 0 HB2 GLU A 32 0.771 -11.631 8.646 1.00 23.33 H new ATOM 0 HB3 GLU A 32 0.257 -11.791 6.979 1.00 23.33 H new ATOM 0 HG2 GLU A 32 -1.439 -10.532 8.041 1.00 62.02 H new ATOM 0 HG3 GLU A 32 -2.110 -12.138 7.843 1.00 62.02 H new ATOM 484 N LEU A 33 1.928 -14.545 6.749 1.00 22.32 N ATOM 485 CA LEU A 33 2.531 -15.109 5.546 1.00 12.02 C ATOM 486 C LEU A 33 1.935 -16.476 5.228 1.00 74.40 C ATOM 487 O LEU A 33 1.628 -16.779 4.075 1.00 45.25 O ATOM 488 CB LEU A 33 4.046 -15.228 5.719 1.00 70.22 C ATOM 489 CG LEU A 33 4.777 -13.951 6.135 1.00 33.10 C ATOM 490 CD1 LEU A 33 5.904 -14.273 7.103 1.00 3.24 C ATOM 491 CD2 LEU A 33 5.313 -13.221 4.912 1.00 22.04 C ATOM 0 H LEU A 33 2.569 -14.450 7.537 1.00 22.32 H new ATOM 0 HA LEU A 33 2.318 -14.438 4.714 1.00 12.02 H new ATOM 0 HB2 LEU A 33 4.247 -15.997 6.465 1.00 70.22 H new ATOM 0 HB3 LEU A 33 4.473 -15.577 4.779 1.00 70.22 H new ATOM 0 HG LEU A 33 4.067 -13.297 6.641 1.00 33.10 H new ATOM 0 HD11 LEU A 33 6.413 -13.352 7.388 1.00 3.24 H new ATOM 0 HD12 LEU A 33 5.494 -14.751 7.992 1.00 3.24 H new ATOM 0 HD13 LEU A 33 6.614 -14.947 6.623 1.00 3.24 H new ATOM 0 HD21 LEU A 33 5.830 -12.315 5.227 1.00 22.04 H new ATOM 0 HD22 LEU A 33 6.008 -13.868 4.378 1.00 22.04 H new ATOM 0 HD23 LEU A 33 4.485 -12.956 4.254 1.00 22.04 H new ATOM 503 N VAL A 34 1.770 -17.299 6.259 1.00 22.11 N ATOM 504 CA VAL A 34 1.207 -18.633 6.090 1.00 22.43 C ATOM 505 C VAL A 34 -0.120 -18.579 5.343 1.00 74.22 C ATOM 506 O VAL A 34 -0.293 -19.191 4.288 1.00 1.42 O ATOM 507 CB VAL A 34 0.991 -19.327 7.448 1.00 22.43 C ATOM 508 CG1 VAL A 34 -0.194 -20.278 7.380 1.00 52.03 C ATOM 509 CG2 VAL A 34 2.252 -20.064 7.876 1.00 14.22 C ATOM 0 H VAL A 34 2.018 -17.065 7.220 1.00 22.11 H new ATOM 0 HA VAL A 34 1.926 -19.208 5.506 1.00 22.43 H new ATOM 0 HB VAL A 34 0.771 -18.564 8.195 1.00 22.43 H new ATOM 0 HG11 VAL A 34 -0.331 -20.759 8.349 1.00 52.03 H new ATOM 0 HG12 VAL A 34 -1.094 -19.720 7.122 1.00 52.03 H new ATOM 0 HG13 VAL A 34 -0.008 -21.038 6.621 1.00 52.03 H new ATOM 0 HG21 VAL A 34 2.082 -20.549 8.837 1.00 14.22 H new ATOM 0 HG22 VAL A 34 2.504 -20.817 7.130 1.00 14.22 H new ATOM 0 HG23 VAL A 34 3.075 -19.355 7.968 1.00 14.22 H new ATOM 519 N PRO A 35 -1.083 -17.829 5.900 1.00 62.21 N ATOM 520 CA PRO A 35 -2.413 -17.676 5.302 1.00 5.21 C ATOM 521 C PRO A 35 -2.380 -16.854 4.018 1.00 64.20 C ATOM 522 O PRO A 35 -3.330 -16.870 3.235 1.00 24.32 O ATOM 523 CB PRO A 35 -3.206 -16.942 6.386 1.00 32.21 C ATOM 524 CG PRO A 35 -2.178 -16.210 7.178 1.00 35.32 C ATOM 525 CD PRO A 35 -0.947 -17.073 7.156 1.00 41.31 C ATOM 0 HA PRO A 35 -2.844 -18.635 5.014 1.00 5.21 H new ATOM 0 HB2 PRO A 35 -3.932 -16.256 5.949 1.00 32.21 H new ATOM 0 HB3 PRO A 35 -3.763 -17.641 7.010 1.00 32.21 H new ATOM 0 HG2 PRO A 35 -1.976 -15.231 6.745 1.00 35.32 H new ATOM 0 HG3 PRO A 35 -2.519 -16.042 8.200 1.00 35.32 H new ATOM 0 HD2 PRO A 35 -0.036 -16.474 7.168 1.00 41.31 H new ATOM 0 HD3 PRO A 35 -0.905 -17.735 8.021 1.00 41.31 H new ATOM 533 N ARG A 36 -1.280 -16.137 3.808 1.00 74.33 N ATOM 534 CA ARG A 36 -1.125 -15.309 2.618 1.00 3.33 C ATOM 535 C ARG A 36 -0.470 -16.098 1.488 1.00 54.41 C ATOM 536 O ARG A 36 -0.116 -15.538 0.449 1.00 13.35 O ATOM 537 CB ARG A 36 -0.288 -14.069 2.940 1.00 30.13 C ATOM 538 CG ARG A 36 -1.099 -12.919 3.515 1.00 30.43 C ATOM 539 CD ARG A 36 -0.223 -11.711 3.808 1.00 71.25 C ATOM 540 NE ARG A 36 -1.004 -10.571 4.280 1.00 44.33 N ATOM 541 CZ ARG A 36 -0.583 -9.313 4.208 1.00 14.51 C ATOM 542 NH1 ARG A 36 0.603 -9.035 3.686 1.00 62.01 N ATOM 543 NH2 ARG A 36 -1.351 -8.329 4.659 1.00 12.31 N ATOM 0 H ARG A 36 -0.484 -16.113 4.446 1.00 74.33 H new ATOM 0 HA ARG A 36 -2.117 -14.996 2.292 1.00 3.33 H new ATOM 0 HB2 ARG A 36 0.493 -14.342 3.650 1.00 30.13 H new ATOM 0 HB3 ARG A 36 0.211 -13.732 2.031 1.00 30.13 H new ATOM 0 HG2 ARG A 36 -1.884 -12.639 2.812 1.00 30.43 H new ATOM 0 HG3 ARG A 36 -1.592 -13.243 4.431 1.00 30.43 H new ATOM 0 HD2 ARG A 36 0.521 -11.976 4.559 1.00 71.25 H new ATOM 0 HD3 ARG A 36 0.320 -11.430 2.906 1.00 71.25 H new ATOM 0 HE ARG A 36 -1.922 -10.750 4.687 1.00 44.33 H new ATOM 0 HH11 ARG A 36 1.196 -9.788 3.338 1.00 62.01 H new ATOM 0 HH12 ARG A 36 0.923 -8.068 3.632 1.00 62.01 H new ATOM 0 HH21 ARG A 36 -2.265 -8.539 5.061 1.00 12.31 H new ATOM 0 HH22 ARG A 36 -1.027 -7.363 4.604 1.00 12.31 H new ATOM 557 N LEU A 37 -0.312 -17.400 1.697 1.00 52.11 N ATOM 558 CA LEU A 37 0.300 -18.267 0.696 1.00 41.41 C ATOM 559 C LEU A 37 1.582 -17.646 0.149 1.00 74.11 C ATOM 560 O LEU A 37 1.725 -17.455 -1.059 1.00 12.32 O ATOM 561 CB LEU A 37 -0.681 -18.530 -0.448 1.00 21.33 C ATOM 562 CG LEU A 37 -1.661 -19.685 -0.239 1.00 22.34 C ATOM 563 CD1 LEU A 37 -0.912 -21.001 -0.091 1.00 1.31 C ATOM 564 CD2 LEU A 37 -2.536 -19.428 0.979 1.00 32.23 C ATOM 0 H LEU A 37 -0.599 -17.879 2.551 1.00 52.11 H new ATOM 0 HA LEU A 37 0.552 -19.213 1.175 1.00 41.41 H new ATOM 0 HB2 LEU A 37 -1.255 -17.620 -0.624 1.00 21.33 H new ATOM 0 HB3 LEU A 37 -0.108 -18.726 -1.354 1.00 21.33 H new ATOM 0 HG LEU A 37 -2.304 -19.753 -1.116 1.00 22.34 H new ATOM 0 HD11 LEU A 37 -1.626 -21.811 0.057 1.00 1.31 H new ATOM 0 HD12 LEU A 37 -0.329 -21.191 -0.992 1.00 1.31 H new ATOM 0 HD13 LEU A 37 -0.244 -20.945 0.768 1.00 1.31 H new ATOM 0 HD21 LEU A 37 -3.227 -20.260 1.112 1.00 32.23 H new ATOM 0 HD22 LEU A 37 -1.908 -19.332 1.865 1.00 32.23 H new ATOM 0 HD23 LEU A 37 -3.101 -18.507 0.834 1.00 32.23 H new ATOM 576 N PHE A 38 2.512 -17.336 1.046 1.00 41.45 N ATOM 577 CA PHE A 38 3.783 -16.738 0.653 1.00 51.12 C ATOM 578 C PHE A 38 4.533 -17.645 -0.318 1.00 44.43 C ATOM 579 O PHE A 38 4.552 -18.865 -0.156 1.00 40.15 O ATOM 580 CB PHE A 38 4.646 -16.467 1.887 1.00 65.44 C ATOM 581 CG PHE A 38 5.266 -15.099 1.896 1.00 23.43 C ATOM 582 CD1 PHE A 38 4.480 -13.967 1.759 1.00 13.04 C ATOM 583 CD2 PHE A 38 6.635 -14.946 2.043 1.00 45.42 C ATOM 584 CE1 PHE A 38 5.048 -12.707 1.767 1.00 33.12 C ATOM 585 CE2 PHE A 38 7.209 -13.688 2.052 1.00 62.13 C ATOM 586 CZ PHE A 38 6.414 -12.567 1.915 1.00 71.42 C ATOM 0 H PHE A 38 2.410 -17.489 2.049 1.00 41.45 H new ATOM 0 HA PHE A 38 3.573 -15.794 0.151 1.00 51.12 H new ATOM 0 HB2 PHE A 38 4.034 -16.586 2.781 1.00 65.44 H new ATOM 0 HB3 PHE A 38 5.436 -17.216 1.939 1.00 65.44 H new ATOM 0 HD1 PHE A 38 3.411 -14.070 1.645 1.00 13.04 H new ATOM 0 HD2 PHE A 38 7.261 -15.819 2.152 1.00 45.42 H new ATOM 0 HE1 PHE A 38 4.424 -11.832 1.658 1.00 33.12 H new ATOM 0 HE2 PHE A 38 8.278 -13.582 2.166 1.00 62.13 H new ATOM 0 HZ PHE A 38 6.859 -11.583 1.924 1.00 71.42 H new ATOM 596 N ARG A 39 5.150 -17.039 -1.328 1.00 3.25 N ATOM 597 CA ARG A 39 5.901 -17.791 -2.326 1.00 53.42 C ATOM 598 C ARG A 39 7.065 -16.965 -2.866 1.00 62.41 C ATOM 599 O ARG A 39 6.951 -15.753 -3.044 1.00 54.40 O ATOM 600 CB ARG A 39 4.983 -18.210 -3.476 1.00 33.13 C ATOM 601 CG ARG A 39 4.924 -19.714 -3.691 1.00 12.45 C ATOM 602 CD ARG A 39 3.579 -20.284 -3.269 1.00 73.21 C ATOM 603 NE ARG A 39 2.674 -20.449 -4.404 1.00 1.32 N ATOM 604 CZ ARG A 39 1.449 -20.951 -4.300 1.00 72.11 C ATOM 605 NH1 ARG A 39 0.984 -21.336 -3.119 1.00 42.33 N ATOM 606 NH2 ARG A 39 0.685 -21.069 -5.379 1.00 24.21 N ATOM 0 H ARG A 39 5.144 -16.030 -1.476 1.00 3.25 H new ATOM 0 HA ARG A 39 6.303 -18.684 -1.846 1.00 53.42 H new ATOM 0 HB2 ARG A 39 3.977 -17.840 -3.280 1.00 33.13 H new ATOM 0 HB3 ARG A 39 5.325 -17.733 -4.395 1.00 33.13 H new ATOM 0 HG2 ARG A 39 5.102 -19.940 -4.742 1.00 12.45 H new ATOM 0 HG3 ARG A 39 5.719 -20.196 -3.122 1.00 12.45 H new ATOM 0 HD2 ARG A 39 3.730 -21.248 -2.783 1.00 73.21 H new ATOM 0 HD3 ARG A 39 3.120 -19.624 -2.533 1.00 73.21 H new ATOM 0 HE ARG A 39 3.001 -20.163 -5.327 1.00 1.32 H new ATOM 0 HH11 ARG A 39 1.568 -21.247 -2.287 1.00 42.33 H new ATOM 0 HH12 ARG A 39 0.043 -21.721 -3.042 1.00 42.33 H new ATOM 0 HH21 ARG A 39 1.039 -20.774 -6.289 1.00 24.21 H new ATOM 0 HH22 ARG A 39 -0.256 -21.455 -5.298 1.00 24.21 H new ATOM 620 N VAL A 40 8.186 -17.631 -3.125 1.00 22.55 N ATOM 621 CA VAL A 40 9.372 -16.960 -3.644 1.00 74.54 C ATOM 622 C VAL A 40 9.797 -17.554 -4.983 1.00 34.23 C ATOM 623 O VAL A 40 9.805 -18.772 -5.158 1.00 64.12 O ATOM 624 CB VAL A 40 10.549 -17.055 -2.656 1.00 61.31 C ATOM 625 CG1 VAL A 40 11.741 -16.261 -3.168 1.00 1.14 C ATOM 626 CG2 VAL A 40 10.127 -16.571 -1.277 1.00 41.22 C ATOM 0 H VAL A 40 8.298 -18.635 -2.984 1.00 22.55 H new ATOM 0 HA VAL A 40 9.108 -15.912 -3.782 1.00 74.54 H new ATOM 0 HB VAL A 40 10.848 -18.100 -2.573 1.00 61.31 H new ATOM 0 HG11 VAL A 40 12.563 -16.340 -2.457 1.00 1.14 H new ATOM 0 HG12 VAL A 40 12.056 -16.659 -4.133 1.00 1.14 H new ATOM 0 HG13 VAL A 40 11.459 -15.214 -3.282 1.00 1.14 H new ATOM 0 HG21 VAL A 40 10.971 -16.645 -0.591 1.00 41.22 H new ATOM 0 HG22 VAL A 40 9.801 -15.533 -1.340 1.00 41.22 H new ATOM 0 HG23 VAL A 40 9.306 -17.188 -0.910 1.00 41.22 H new ATOM 636 N ALA A 41 10.149 -16.685 -5.924 1.00 41.12 N ATOM 637 CA ALA A 41 10.578 -17.123 -7.247 1.00 30.14 C ATOM 638 C ALA A 41 11.542 -16.120 -7.871 1.00 62.42 C ATOM 639 O ALA A 41 11.756 -15.033 -7.335 1.00 73.20 O ATOM 640 CB ALA A 41 9.372 -17.332 -8.150 1.00 52.23 C ATOM 0 H ALA A 41 10.146 -15.673 -5.795 1.00 41.12 H new ATOM 0 HA ALA A 41 11.104 -18.071 -7.136 1.00 30.14 H new ATOM 0 HB1 ALA A 41 9.707 -17.659 -9.134 1.00 52.23 H new ATOM 0 HB2 ALA A 41 8.721 -18.092 -7.717 1.00 52.23 H new ATOM 0 HB3 ALA A 41 8.823 -16.395 -8.246 1.00 52.23 H new ATOM 646 N SER A 42 12.123 -16.493 -9.007 1.00 72.43 N ATOM 647 CA SER A 42 13.068 -15.628 -9.703 1.00 23.14 C ATOM 648 C SER A 42 13.249 -16.074 -11.150 1.00 44.14 C ATOM 649 O SER A 42 12.991 -17.227 -11.495 1.00 30.45 O ATOM 650 CB SER A 42 14.419 -15.631 -8.984 1.00 14.25 C ATOM 651 OG SER A 42 15.490 -15.652 -9.911 1.00 21.13 O ATOM 0 H SER A 42 11.956 -17.389 -9.465 1.00 72.43 H new ATOM 0 HA SER A 42 12.665 -14.615 -9.701 1.00 23.14 H new ATOM 0 HB2 SER A 42 14.499 -14.747 -8.351 1.00 14.25 H new ATOM 0 HB3 SER A 42 14.484 -16.500 -8.329 1.00 14.25 H new ATOM 0 HG SER A 42 15.650 -14.745 -10.247 1.00 21.13 H new ATOM 657 N LYS A 43 13.696 -15.151 -11.996 1.00 14.24 N ATOM 658 CA LYS A 43 13.913 -15.446 -13.407 1.00 25.13 C ATOM 659 C LYS A 43 15.296 -16.051 -13.629 1.00 2.51 C ATOM 660 O LYS A 43 15.478 -16.907 -14.494 1.00 72.40 O ATOM 661 CB LYS A 43 13.760 -14.175 -14.245 1.00 3.34 C ATOM 662 CG LYS A 43 12.317 -13.744 -14.438 1.00 73.13 C ATOM 663 CD LYS A 43 11.696 -14.406 -15.657 1.00 41.12 C ATOM 664 CE LYS A 43 11.884 -13.560 -16.907 1.00 40.30 C ATOM 665 NZ LYS A 43 12.232 -14.391 -18.093 1.00 11.04 N ATOM 0 H LYS A 43 13.915 -14.192 -11.728 1.00 14.24 H new ATOM 0 HA LYS A 43 13.163 -16.172 -13.720 1.00 25.13 H new ATOM 0 HB2 LYS A 43 14.311 -13.366 -13.766 1.00 3.34 H new ATOM 0 HB3 LYS A 43 14.216 -14.337 -15.222 1.00 3.34 H new ATOM 0 HG2 LYS A 43 11.738 -13.999 -13.550 1.00 73.13 H new ATOM 0 HG3 LYS A 43 12.271 -12.661 -14.548 1.00 73.13 H new ATOM 0 HD2 LYS A 43 12.147 -15.387 -15.809 1.00 41.12 H new ATOM 0 HD3 LYS A 43 10.632 -14.568 -15.482 1.00 41.12 H new ATOM 0 HE2 LYS A 43 10.969 -13.003 -17.110 1.00 40.30 H new ATOM 0 HE3 LYS A 43 12.672 -12.827 -16.734 1.00 40.30 H new ATOM 0 HZ1 LYS A 43 12.352 -13.777 -18.924 1.00 11.04 H new ATOM 0 HZ2 LYS A 43 13.119 -14.903 -17.910 1.00 11.04 H new ATOM 0 HZ3 LYS A 43 11.469 -15.074 -18.274 1.00 11.04 H new ATOM 679 N ASP A 44 16.267 -15.600 -12.842 1.00 41.11 N ATOM 680 CA ASP A 44 17.633 -16.098 -12.951 1.00 62.52 C ATOM 681 C ASP A 44 17.678 -17.609 -12.745 1.00 63.32 C ATOM 682 O ASP A 44 17.819 -18.372 -13.701 1.00 62.13 O ATOM 683 CB ASP A 44 18.535 -15.405 -11.929 1.00 42.33 C ATOM 684 CG ASP A 44 18.967 -14.024 -12.382 1.00 2.34 C ATOM 685 OD1 ASP A 44 19.784 -13.936 -13.323 1.00 14.42 O ATOM 686 OD2 ASP A 44 18.488 -13.031 -11.795 1.00 43.00 O ATOM 0 H ASP A 44 16.133 -14.890 -12.122 1.00 41.11 H new ATOM 0 HA ASP A 44 17.996 -15.874 -13.954 1.00 62.52 H new ATOM 0 HB2 ASP A 44 18.007 -15.324 -10.979 1.00 42.33 H new ATOM 0 HB3 ASP A 44 19.418 -16.019 -11.752 1.00 42.33 H new ATOM 691 N ARG A 45 17.559 -18.034 -11.492 1.00 30.33 N ATOM 692 CA ARG A 45 17.589 -19.454 -11.160 1.00 54.31 C ATOM 693 C ARG A 45 16.269 -19.893 -10.532 1.00 41.11 C ATOM 694 O ARG A 45 15.960 -21.083 -10.480 1.00 5.35 O ATOM 695 CB ARG A 45 18.745 -19.752 -10.204 1.00 11.10 C ATOM 696 CG ARG A 45 19.799 -20.676 -10.792 1.00 34.20 C ATOM 697 CD ARG A 45 19.552 -22.124 -10.399 1.00 35.15 C ATOM 698 NE ARG A 45 18.761 -22.836 -11.399 1.00 64.13 N ATOM 699 CZ ARG A 45 19.257 -23.274 -12.552 1.00 12.44 C ATOM 700 NH1 ARG A 45 20.534 -23.073 -12.847 1.00 32.34 N ATOM 701 NH2 ARG A 45 18.474 -23.914 -13.411 1.00 44.53 N ATOM 0 H ARG A 45 17.441 -17.416 -10.689 1.00 30.33 H new ATOM 0 HA ARG A 45 17.737 -20.014 -12.083 1.00 54.31 H new ATOM 0 HB2 ARG A 45 19.217 -18.813 -9.915 1.00 11.10 H new ATOM 0 HB3 ARG A 45 18.346 -20.202 -9.294 1.00 11.10 H new ATOM 0 HG2 ARG A 45 19.797 -20.587 -11.878 1.00 34.20 H new ATOM 0 HG3 ARG A 45 20.787 -20.368 -10.449 1.00 34.20 H new ATOM 0 HD2 ARG A 45 20.508 -22.631 -10.265 1.00 35.15 H new ATOM 0 HD3 ARG A 45 19.036 -22.156 -9.439 1.00 35.15 H new ATOM 0 HE ARG A 45 17.775 -23.006 -11.202 1.00 64.13 H new ATOM 0 HH11 ARG A 45 21.138 -22.581 -12.189 1.00 32.34 H new ATOM 0 HH12 ARG A 45 20.912 -23.410 -13.732 1.00 32.34 H new ATOM 0 HH21 ARG A 45 17.491 -24.070 -13.187 1.00 44.53 H new ATOM 0 HH22 ARG A 45 18.855 -24.250 -14.296 1.00 44.53 H new ATOM 715 N GLY A 46 15.494 -18.923 -10.056 1.00 41.01 N ATOM 716 CA GLY A 46 14.218 -19.230 -9.437 1.00 54.54 C ATOM 717 C GLY A 46 14.341 -19.483 -7.948 1.00 63.31 C ATOM 718 O GLY A 46 13.341 -19.506 -7.230 1.00 44.42 O ATOM 0 H GLY A 46 15.727 -17.931 -10.088 1.00 41.01 H new ATOM 0 HA2 GLY A 46 13.528 -18.404 -9.606 1.00 54.54 H new ATOM 0 HA3 GLY A 46 13.787 -20.109 -9.917 1.00 54.54 H new ATOM 722 N ASP A 47 15.570 -19.677 -7.483 1.00 3.23 N ATOM 723 CA ASP A 47 15.821 -19.931 -6.069 1.00 23.22 C ATOM 724 C ASP A 47 17.013 -19.118 -5.574 1.00 23.14 C ATOM 725 O ASP A 47 18.060 -19.673 -5.237 1.00 1.04 O ATOM 726 CB ASP A 47 16.072 -21.422 -5.833 1.00 53.45 C ATOM 727 CG ASP A 47 14.833 -22.262 -6.073 1.00 14.33 C ATOM 728 OD1 ASP A 47 13.757 -21.894 -5.555 1.00 20.12 O ATOM 729 OD2 ASP A 47 14.938 -23.286 -6.778 1.00 61.25 O ATOM 0 H ASP A 47 16.408 -19.663 -8.064 1.00 3.23 H new ATOM 0 HA ASP A 47 14.938 -19.626 -5.508 1.00 23.22 H new ATOM 0 HB2 ASP A 47 16.871 -21.762 -6.492 1.00 53.45 H new ATOM 0 HB3 ASP A 47 16.417 -21.572 -4.810 1.00 53.45 H new ATOM 734 N LEU A 48 16.848 -17.801 -5.533 1.00 41.41 N ATOM 735 CA LEU A 48 17.911 -16.910 -5.080 1.00 51.10 C ATOM 736 C LEU A 48 17.986 -16.883 -3.557 1.00 3.22 C ATOM 737 O LEU A 48 19.070 -16.956 -2.977 1.00 24.33 O ATOM 738 CB LEU A 48 17.681 -15.496 -5.616 1.00 1.31 C ATOM 739 CG LEU A 48 17.238 -15.395 -7.076 1.00 11.11 C ATOM 740 CD1 LEU A 48 16.795 -13.977 -7.403 1.00 25.12 C ATOM 741 CD2 LEU A 48 18.360 -15.833 -8.005 1.00 43.04 C ATOM 0 H LEU A 48 15.988 -17.326 -5.808 1.00 41.41 H new ATOM 0 HA LEU A 48 18.858 -17.288 -5.465 1.00 51.10 H new ATOM 0 HB2 LEU A 48 16.928 -15.012 -4.994 1.00 1.31 H new ATOM 0 HB3 LEU A 48 18.605 -14.929 -5.498 1.00 1.31 H new ATOM 0 HG LEU A 48 16.389 -16.062 -7.225 1.00 11.11 H new ATOM 0 HD11 LEU A 48 16.483 -13.925 -8.446 1.00 25.12 H new ATOM 0 HD12 LEU A 48 15.960 -13.699 -6.760 1.00 25.12 H new ATOM 0 HD13 LEU A 48 17.624 -13.289 -7.237 1.00 25.12 H new ATOM 0 HD21 LEU A 48 18.027 -15.755 -9.040 1.00 43.04 H new ATOM 0 HD22 LEU A 48 19.229 -15.192 -7.854 1.00 43.04 H new ATOM 0 HD23 LEU A 48 18.630 -16.867 -7.788 1.00 43.04 H new ATOM 753 N LEU A 49 16.828 -16.779 -2.914 1.00 43.12 N ATOM 754 CA LEU A 49 16.762 -16.745 -1.457 1.00 42.43 C ATOM 755 C LEU A 49 15.425 -17.285 -0.960 1.00 24.20 C ATOM 756 O LEU A 49 14.594 -17.731 -1.749 1.00 73.44 O ATOM 757 CB LEU A 49 16.967 -15.316 -0.951 1.00 45.33 C ATOM 758 CG LEU A 49 18.377 -14.744 -1.108 1.00 71.03 C ATOM 759 CD1 LEU A 49 18.529 -14.064 -2.460 1.00 5.42 C ATOM 760 CD2 LEU A 49 18.686 -13.770 0.019 1.00 1.12 C ATOM 0 H LEU A 49 15.922 -16.717 -3.379 1.00 43.12 H new ATOM 0 HA LEU A 49 17.557 -17.380 -1.067 1.00 42.43 H new ATOM 0 HB2 LEU A 49 16.271 -14.662 -1.477 1.00 45.33 H new ATOM 0 HB3 LEU A 49 16.699 -15.284 0.105 1.00 45.33 H new ATOM 0 HG LEU A 49 19.090 -15.567 -1.056 1.00 71.03 H new ATOM 0 HD11 LEU A 49 19.538 -13.663 -2.554 1.00 5.42 H new ATOM 0 HD12 LEU A 49 18.351 -14.789 -3.254 1.00 5.42 H new ATOM 0 HD13 LEU A 49 17.807 -13.252 -2.542 1.00 5.42 H new ATOM 0 HD21 LEU A 49 19.693 -13.373 -0.109 1.00 1.12 H new ATOM 0 HD22 LEU A 49 17.968 -12.950 -0.001 1.00 1.12 H new ATOM 0 HD23 LEU A 49 18.619 -14.288 0.976 1.00 1.12 H new ATOM 772 N GLU A 50 15.226 -17.240 0.354 1.00 41.54 N ATOM 773 CA GLU A 50 13.989 -17.724 0.955 1.00 1.31 C ATOM 774 C GLU A 50 13.729 -17.036 2.292 1.00 14.31 C ATOM 775 O GLU A 50 14.660 -16.728 3.037 1.00 54.05 O ATOM 776 CB GLU A 50 14.051 -19.240 1.153 1.00 43.32 C ATOM 777 CG GLU A 50 13.437 -20.028 0.008 1.00 24.44 C ATOM 778 CD GLU A 50 13.130 -21.464 0.388 1.00 12.11 C ATOM 779 OE1 GLU A 50 14.057 -22.300 0.351 1.00 12.45 O ATOM 780 OE2 GLU A 50 11.961 -21.751 0.722 1.00 1.04 O ATOM 0 H GLU A 50 15.905 -16.874 1.021 1.00 41.54 H new ATOM 0 HA GLU A 50 13.169 -17.487 0.278 1.00 1.31 H new ATOM 0 HB2 GLU A 50 15.092 -19.540 1.273 1.00 43.32 H new ATOM 0 HB3 GLU A 50 13.536 -19.499 2.078 1.00 43.32 H new ATOM 0 HG2 GLU A 50 12.519 -19.537 -0.315 1.00 24.44 H new ATOM 0 HG3 GLU A 50 14.119 -20.019 -0.842 1.00 24.44 H new ATOM 787 N VAL A 51 12.455 -16.797 2.590 1.00 43.32 N ATOM 788 CA VAL A 51 12.071 -16.146 3.837 1.00 51.25 C ATOM 789 C VAL A 51 11.699 -17.172 4.900 1.00 33.44 C ATOM 790 O VAL A 51 11.114 -18.211 4.597 1.00 35.12 O ATOM 791 CB VAL A 51 10.884 -15.187 3.626 1.00 32.14 C ATOM 792 CG1 VAL A 51 9.734 -15.904 2.936 1.00 71.33 C ATOM 793 CG2 VAL A 51 10.434 -14.597 4.955 1.00 63.25 C ATOM 0 H VAL A 51 11.672 -17.045 1.985 1.00 43.32 H new ATOM 0 HA VAL A 51 12.935 -15.574 4.176 1.00 51.25 H new ATOM 0 HB VAL A 51 11.209 -14.370 2.982 1.00 32.14 H new ATOM 0 HG11 VAL A 51 8.905 -15.211 2.796 1.00 71.33 H new ATOM 0 HG12 VAL A 51 10.066 -16.274 1.966 1.00 71.33 H new ATOM 0 HG13 VAL A 51 9.406 -16.742 3.551 1.00 71.33 H new ATOM 0 HG21 VAL A 51 9.595 -13.922 4.788 1.00 63.25 H new ATOM 0 HG22 VAL A 51 10.126 -15.400 5.624 1.00 63.25 H new ATOM 0 HG23 VAL A 51 11.259 -14.046 5.406 1.00 63.25 H new ATOM 803 N ASN A 52 12.042 -16.873 6.149 1.00 22.51 N ATOM 804 CA ASN A 52 11.744 -17.771 7.259 1.00 10.25 C ATOM 805 C ASN A 52 10.508 -17.302 8.021 1.00 54.03 C ATOM 806 O ASN A 52 10.470 -16.185 8.538 1.00 51.44 O ATOM 807 CB ASN A 52 12.940 -17.855 8.210 1.00 62.13 C ATOM 808 CG ASN A 52 12.699 -18.814 9.359 1.00 33.14 C ATOM 809 OD1 ASN A 52 11.697 -19.530 9.386 1.00 42.43 O ATOM 810 ND2 ASN A 52 13.618 -18.832 10.317 1.00 21.35 N ATOM 0 H ASN A 52 12.526 -16.016 6.418 1.00 22.51 H new ATOM 0 HA ASN A 52 11.544 -18.761 6.849 1.00 10.25 H new ATOM 0 HB2 ASN A 52 13.821 -18.173 7.653 1.00 62.13 H new ATOM 0 HB3 ASN A 52 13.155 -16.863 8.607 1.00 62.13 H new ATOM 0 HD21 ASN A 52 13.509 -19.456 11.116 1.00 21.35 H new ATOM 0 HD22 ASN A 52 14.433 -18.222 10.254 1.00 21.35 H new ATOM 817 N LEU A 53 9.498 -18.163 8.086 1.00 23.11 N ATOM 818 CA LEU A 53 8.260 -17.838 8.785 1.00 74.40 C ATOM 819 C LEU A 53 8.472 -17.831 10.295 1.00 5.14 C ATOM 820 O LEU A 53 7.583 -17.448 11.055 1.00 72.24 O ATOM 821 CB LEU A 53 7.165 -18.842 8.418 1.00 64.33 C ATOM 822 CG LEU A 53 6.327 -18.500 7.185 1.00 21.45 C ATOM 823 CD1 LEU A 53 6.399 -19.623 6.163 1.00 71.45 C ATOM 824 CD2 LEU A 53 4.883 -18.229 7.581 1.00 1.25 C ATOM 0 H LEU A 53 9.512 -19.091 7.663 1.00 23.11 H new ATOM 0 HA LEU A 53 7.949 -16.840 8.476 1.00 74.40 H new ATOM 0 HB2 LEU A 53 7.630 -19.815 8.258 1.00 64.33 H new ATOM 0 HB3 LEU A 53 6.494 -18.946 9.271 1.00 64.33 H new ATOM 0 HG LEU A 53 6.734 -17.597 6.731 1.00 21.45 H new ATOM 0 HD11 LEU A 53 5.797 -19.362 5.293 1.00 71.45 H new ATOM 0 HD12 LEU A 53 7.435 -19.770 5.857 1.00 71.45 H new ATOM 0 HD13 LEU A 53 6.017 -20.543 6.606 1.00 71.45 H new ATOM 0 HD21 LEU A 53 4.301 -17.987 6.692 1.00 1.25 H new ATOM 0 HD22 LEU A 53 4.464 -19.115 8.059 1.00 1.25 H new ATOM 0 HD23 LEU A 53 4.848 -17.391 8.277 1.00 1.25 H new ATOM 836 N GLN A 54 9.658 -18.254 10.723 1.00 74.21 N ATOM 837 CA GLN A 54 9.987 -18.294 12.143 1.00 62.43 C ATOM 838 C GLN A 54 10.064 -16.886 12.724 1.00 65.43 C ATOM 839 O GLN A 54 9.336 -16.549 13.656 1.00 44.50 O ATOM 840 CB GLN A 54 11.315 -19.022 12.359 1.00 3.21 C ATOM 841 CG GLN A 54 11.470 -19.603 13.755 1.00 22.12 C ATOM 842 CD GLN A 54 11.492 -21.119 13.757 1.00 10.11 C ATOM 843 OE1 GLN A 54 12.527 -21.737 13.507 1.00 5.33 O ATOM 844 NE2 GLN A 54 10.346 -21.727 14.040 1.00 61.42 N ATOM 0 H GLN A 54 10.406 -18.573 10.107 1.00 74.21 H new ATOM 0 HA GLN A 54 9.195 -18.837 12.659 1.00 62.43 H new ATOM 0 HB2 GLN A 54 11.402 -19.826 11.628 1.00 3.21 H new ATOM 0 HB3 GLN A 54 12.135 -18.329 12.170 1.00 3.21 H new ATOM 0 HG2 GLN A 54 12.392 -19.229 14.200 1.00 22.12 H new ATOM 0 HG3 GLN A 54 10.650 -19.254 14.383 1.00 22.12 H new ATOM 0 HE21 GLN A 54 9.512 -21.175 14.241 1.00 61.42 H new ATOM 0 HE22 GLN A 54 10.300 -22.746 14.056 1.00 61.42 H new ATOM 853 N ASN A 55 10.952 -16.069 12.166 1.00 23.42 N ATOM 854 CA ASN A 55 11.125 -14.698 12.630 1.00 43.40 C ATOM 855 C ASN A 55 10.789 -13.703 11.523 1.00 15.34 C ATOM 856 O ASN A 55 10.400 -12.567 11.793 1.00 53.05 O ATOM 857 CB ASN A 55 12.561 -14.477 13.110 1.00 2.20 C ATOM 858 CG ASN A 55 12.635 -14.176 14.595 1.00 73.14 C ATOM 859 OD1 ASN A 55 13.090 -15.003 15.385 1.00 41.11 O ATOM 860 ND2 ASN A 55 12.185 -12.988 14.980 1.00 0.44 N ATOM 0 H ASN A 55 11.562 -16.333 11.392 1.00 23.42 H new ATOM 0 HA ASN A 55 10.441 -14.534 13.463 1.00 43.40 H new ATOM 0 HB2 ASN A 55 13.155 -15.365 12.892 1.00 2.20 H new ATOM 0 HB3 ASN A 55 13.005 -13.652 12.552 1.00 2.20 H new ATOM 0 HD21 ASN A 55 12.208 -12.729 15.966 1.00 0.44 H new ATOM 0 HD22 ASN A 55 11.816 -12.334 14.289 1.00 0.44 H new ATOM 867 N GLY A 56 10.940 -14.139 10.276 1.00 5.34 N ATOM 868 CA GLY A 56 10.648 -13.275 9.148 1.00 41.33 C ATOM 869 C GLY A 56 11.901 -12.821 8.425 1.00 11.01 C ATOM 870 O GLY A 56 11.828 -12.295 7.314 1.00 3.10 O ATOM 0 H GLY A 56 11.259 -15.075 10.027 1.00 5.34 H new ATOM 0 HA2 GLY A 56 10.000 -13.803 8.448 1.00 41.33 H new ATOM 0 HA3 GLY A 56 10.097 -12.402 9.497 1.00 41.33 H new ATOM 874 N ILE A 57 13.052 -13.023 9.057 1.00 43.13 N ATOM 875 CA ILE A 57 14.326 -12.630 8.467 1.00 51.13 C ATOM 876 C ILE A 57 14.555 -13.335 7.134 1.00 40.20 C ATOM 877 O ILE A 57 14.127 -14.473 6.940 1.00 64.53 O ATOM 878 CB ILE A 57 15.503 -12.942 9.409 1.00 22.50 C ATOM 879 CG1 ILE A 57 16.798 -12.341 8.859 1.00 24.42 C ATOM 880 CG2 ILE A 57 15.648 -14.445 9.596 1.00 73.55 C ATOM 881 CD1 ILE A 57 16.746 -10.838 8.697 1.00 31.42 C ATOM 0 H ILE A 57 13.129 -13.456 9.977 1.00 43.13 H new ATOM 0 HA ILE A 57 14.279 -11.553 8.303 1.00 51.13 H new ATOM 0 HB ILE A 57 15.300 -12.493 10.381 1.00 22.50 H new ATOM 0 HG12 ILE A 57 17.620 -12.598 9.527 1.00 24.42 H new ATOM 0 HG13 ILE A 57 17.018 -12.795 7.893 1.00 24.42 H new ATOM 0 HG21 ILE A 57 16.484 -14.649 10.264 1.00 73.55 H new ATOM 0 HG22 ILE A 57 14.732 -14.848 10.027 1.00 73.55 H new ATOM 0 HG23 ILE A 57 15.832 -14.916 8.630 1.00 73.55 H new ATOM 0 HD11 ILE A 57 17.698 -10.481 8.303 1.00 31.42 H new ATOM 0 HD12 ILE A 57 15.945 -10.574 8.006 1.00 31.42 H new ATOM 0 HD13 ILE A 57 16.557 -10.374 9.665 1.00 31.42 H new ATOM 893 N LEU A 58 15.234 -12.652 6.219 1.00 51.30 N ATOM 894 CA LEU A 58 15.523 -13.213 4.904 1.00 54.34 C ATOM 895 C LEU A 58 16.925 -13.812 4.863 1.00 52.20 C ATOM 896 O LEU A 58 17.914 -13.121 5.108 1.00 11.32 O ATOM 897 CB LEU A 58 15.384 -12.135 3.826 1.00 25.54 C ATOM 898 CG LEU A 58 14.879 -12.610 2.464 1.00 71.04 C ATOM 899 CD1 LEU A 58 15.872 -13.573 1.831 1.00 1.44 C ATOM 900 CD2 LEU A 58 13.512 -13.265 2.600 1.00 10.33 C ATOM 0 H LEU A 58 15.595 -11.709 6.364 1.00 51.30 H new ATOM 0 HA LEU A 58 14.803 -14.008 4.709 1.00 54.34 H new ATOM 0 HB2 LEU A 58 14.705 -11.366 4.195 1.00 25.54 H new ATOM 0 HB3 LEU A 58 16.356 -11.662 3.686 1.00 25.54 H new ATOM 0 HG LEU A 58 14.781 -11.742 1.813 1.00 71.04 H new ATOM 0 HD11 LEU A 58 15.495 -13.900 0.862 1.00 1.44 H new ATOM 0 HD12 LEU A 58 16.830 -13.071 1.697 1.00 1.44 H new ATOM 0 HD13 LEU A 58 16.004 -14.439 2.480 1.00 1.44 H new ATOM 0 HD21 LEU A 58 13.168 -13.597 1.620 1.00 10.33 H new ATOM 0 HD22 LEU A 58 13.584 -14.123 3.269 1.00 10.33 H new ATOM 0 HD23 LEU A 58 12.803 -12.545 3.009 1.00 10.33 H new ATOM 912 N PHE A 59 17.003 -15.101 4.550 1.00 41.23 N ATOM 913 CA PHE A 59 18.284 -15.793 4.475 1.00 24.14 C ATOM 914 C PHE A 59 18.657 -16.094 3.026 1.00 13.15 C ATOM 915 O PHE A 59 17.790 -16.183 2.156 1.00 2.55 O ATOM 916 CB PHE A 59 18.233 -17.093 5.281 1.00 4.21 C ATOM 917 CG PHE A 59 17.081 -17.982 4.912 1.00 72.22 C ATOM 918 CD1 PHE A 59 15.851 -17.840 5.534 1.00 3.45 C ATOM 919 CD2 PHE A 59 17.227 -18.961 3.942 1.00 20.33 C ATOM 920 CE1 PHE A 59 14.788 -18.656 5.197 1.00 64.22 C ATOM 921 CE2 PHE A 59 16.168 -19.780 3.600 1.00 33.42 C ATOM 922 CZ PHE A 59 14.947 -19.629 4.229 1.00 3.40 C ATOM 0 H PHE A 59 16.194 -15.687 4.344 1.00 41.23 H new ATOM 0 HA PHE A 59 19.047 -15.140 4.899 1.00 24.14 H new ATOM 0 HB2 PHE A 59 19.165 -17.639 5.134 1.00 4.21 H new ATOM 0 HB3 PHE A 59 18.170 -16.851 6.342 1.00 4.21 H new ATOM 0 HD1 PHE A 59 15.721 -17.082 6.292 1.00 3.45 H new ATOM 0 HD2 PHE A 59 18.179 -19.085 3.448 1.00 20.33 H new ATOM 0 HE1 PHE A 59 13.835 -18.533 5.689 1.00 64.22 H new ATOM 0 HE2 PHE A 59 16.295 -20.538 2.841 1.00 33.42 H new ATOM 0 HZ PHE A 59 14.119 -20.270 3.965 1.00 3.40 H new ATOM 932 N VAL A 60 19.953 -16.250 2.775 1.00 53.52 N ATOM 933 CA VAL A 60 20.441 -16.541 1.432 1.00 2.14 C ATOM 934 C VAL A 60 20.317 -18.026 1.113 1.00 71.43 C ATOM 935 O VAL A 60 20.522 -18.877 1.978 1.00 51.14 O ATOM 936 CB VAL A 60 21.911 -16.112 1.265 1.00 60.24 C ATOM 937 CG1 VAL A 60 22.340 -16.232 -0.190 1.00 13.11 C ATOM 938 CG2 VAL A 60 22.113 -14.693 1.773 1.00 11.24 C ATOM 0 H VAL A 60 20.683 -16.180 3.483 1.00 53.52 H new ATOM 0 HA VAL A 60 19.823 -15.971 0.739 1.00 2.14 H new ATOM 0 HB VAL A 60 22.536 -16.779 1.860 1.00 60.24 H new ATOM 0 HG11 VAL A 60 23.381 -15.925 -0.289 1.00 13.11 H new ATOM 0 HG12 VAL A 60 22.234 -17.267 -0.516 1.00 13.11 H new ATOM 0 HG13 VAL A 60 21.712 -15.591 -0.809 1.00 13.11 H new ATOM 0 HG21 VAL A 60 23.157 -14.407 1.647 1.00 11.24 H new ATOM 0 HG22 VAL A 60 21.479 -14.010 1.207 1.00 11.24 H new ATOM 0 HG23 VAL A 60 21.848 -14.643 2.829 1.00 11.24 H new ATOM 948 N ASN A 61 19.980 -18.331 -0.136 1.00 70.13 N ATOM 949 CA ASN A 61 19.828 -19.715 -0.571 1.00 42.11 C ATOM 950 C ASN A 61 20.201 -19.867 -2.043 1.00 14.32 C ATOM 951 O ASN A 61 19.464 -20.474 -2.821 1.00 4.54 O ATOM 952 CB ASN A 61 18.390 -20.187 -0.346 1.00 25.31 C ATOM 953 CG ASN A 61 18.304 -21.683 -0.108 1.00 52.44 C ATOM 954 OD1 ASN A 61 18.344 -22.145 1.032 1.00 54.40 O ATOM 955 ND2 ASN A 61 18.185 -22.447 -1.188 1.00 13.02 N ATOM 0 H ASN A 61 19.807 -17.639 -0.865 1.00 70.13 H new ATOM 0 HA ASN A 61 20.503 -20.332 0.022 1.00 42.11 H new ATOM 0 HB2 ASN A 61 17.967 -19.661 0.510 1.00 25.31 H new ATOM 0 HB3 ASN A 61 17.784 -19.924 -1.213 1.00 25.31 H new ATOM 0 HD21 ASN A 61 18.123 -23.460 -1.091 1.00 13.02 H new ATOM 0 HD22 ASN A 61 18.156 -22.020 -2.114 1.00 13.02 H new ATOM 962 N SER A 62 21.349 -19.311 -2.417 1.00 73.44 N ATOM 963 CA SER A 62 21.818 -19.382 -3.796 1.00 70.02 C ATOM 964 C SER A 62 23.304 -19.047 -3.882 1.00 70.21 C ATOM 965 O SER A 62 23.924 -18.665 -2.889 1.00 53.04 O ATOM 966 CB SER A 62 21.016 -18.425 -4.680 1.00 10.42 C ATOM 967 OG SER A 62 21.297 -17.074 -4.355 1.00 65.21 O ATOM 0 H SER A 62 21.971 -18.807 -1.785 1.00 73.44 H new ATOM 0 HA SER A 62 21.672 -20.402 -4.151 1.00 70.02 H new ATOM 0 HB2 SER A 62 21.254 -18.607 -5.728 1.00 10.42 H new ATOM 0 HB3 SER A 62 19.950 -18.618 -4.557 1.00 10.42 H new ATOM 0 HG SER A 62 20.555 -16.702 -3.835 1.00 65.21 H new ATOM 973 N ARG A 63 23.869 -19.194 -5.076 1.00 40.00 N ATOM 974 CA ARG A 63 25.282 -18.909 -5.293 1.00 3.23 C ATOM 975 C ARG A 63 25.557 -17.412 -5.186 1.00 44.32 C ATOM 976 O ARG A 63 25.093 -16.625 -6.012 1.00 65.23 O ATOM 977 CB ARG A 63 25.724 -19.423 -6.664 1.00 72.02 C ATOM 978 CG ARG A 63 25.274 -20.846 -6.955 1.00 3.41 C ATOM 979 CD ARG A 63 25.774 -21.815 -5.895 1.00 73.21 C ATOM 980 NE ARG A 63 24.685 -22.336 -5.073 1.00 12.22 N ATOM 981 CZ ARG A 63 23.775 -23.196 -5.517 1.00 11.41 C ATOM 982 NH1 ARG A 63 23.823 -23.630 -6.769 1.00 3.52 N ATOM 983 NH2 ARG A 63 22.814 -23.624 -4.708 1.00 2.31 N ATOM 0 H ARG A 63 23.370 -19.509 -5.908 1.00 40.00 H new ATOM 0 HA ARG A 63 25.853 -19.422 -4.519 1.00 3.23 H new ATOM 0 HB2 ARG A 63 25.330 -18.761 -7.435 1.00 72.02 H new ATOM 0 HB3 ARG A 63 26.811 -19.374 -6.728 1.00 72.02 H new ATOM 0 HG2 ARG A 63 24.186 -20.883 -6.999 1.00 3.41 H new ATOM 0 HG3 ARG A 63 25.643 -21.153 -7.934 1.00 3.41 H new ATOM 0 HD2 ARG A 63 26.293 -22.644 -6.377 1.00 73.21 H new ATOM 0 HD3 ARG A 63 26.501 -21.312 -5.257 1.00 73.21 H new ATOM 0 HE ARG A 63 24.620 -22.022 -4.105 1.00 12.22 H new ATOM 0 HH11 ARG A 63 24.560 -23.304 -7.394 1.00 3.52 H new ATOM 0 HH12 ARG A 63 23.123 -24.290 -7.107 1.00 3.52 H new ATOM 0 HH21 ARG A 63 22.774 -23.293 -3.744 1.00 2.31 H new ATOM 0 HH22 ARG A 63 22.116 -24.284 -5.050 1.00 2.31 H new ATOM 997 N ILE A 64 26.314 -17.026 -4.164 1.00 54.32 N ATOM 998 CA ILE A 64 26.651 -15.624 -3.951 1.00 14.25 C ATOM 999 C ILE A 64 28.117 -15.356 -4.270 1.00 43.15 C ATOM 1000 O ILE A 64 28.519 -14.211 -4.479 1.00 12.15 O ATOM 1001 CB ILE A 64 26.366 -15.191 -2.500 1.00 71.01 C ATOM 1002 CG1 ILE A 64 25.014 -15.739 -2.037 1.00 43.14 C ATOM 1003 CG2 ILE A 64 26.397 -13.674 -2.384 1.00 74.42 C ATOM 1004 CD1 ILE A 64 23.856 -15.302 -2.906 1.00 73.13 C ATOM 0 H ILE A 64 26.705 -17.664 -3.471 1.00 54.32 H new ATOM 0 HA ILE A 64 26.023 -15.043 -4.626 1.00 14.25 H new ATOM 0 HB ILE A 64 27.143 -15.601 -1.855 1.00 71.01 H new ATOM 0 HG12 ILE A 64 25.058 -16.828 -2.024 1.00 43.14 H new ATOM 0 HG13 ILE A 64 24.831 -15.415 -1.012 1.00 43.14 H new ATOM 0 HG21 ILE A 64 26.194 -13.384 -1.353 1.00 74.42 H new ATOM 0 HG22 ILE A 64 27.380 -13.307 -2.677 1.00 74.42 H new ATOM 0 HG23 ILE A 64 25.639 -13.243 -3.038 1.00 74.42 H new ATOM 0 HD11 ILE A 64 22.930 -15.727 -2.519 1.00 73.13 H new ATOM 0 HD12 ILE A 64 23.786 -14.214 -2.899 1.00 73.13 H new ATOM 0 HD13 ILE A 64 24.016 -15.649 -3.927 1.00 73.13 H new ATOM 1016 N ASP A 65 28.912 -16.420 -4.310 1.00 1.41 N ATOM 1017 CA ASP A 65 30.335 -16.300 -4.608 1.00 33.42 C ATOM 1018 C ASP A 65 30.551 -15.679 -5.984 1.00 4.51 C ATOM 1019 O ASP A 65 29.772 -15.907 -6.909 1.00 61.40 O ATOM 1020 CB ASP A 65 31.008 -17.672 -4.543 1.00 31.24 C ATOM 1021 CG ASP A 65 30.875 -18.318 -3.177 1.00 43.24 C ATOM 1022 OD1 ASP A 65 29.732 -18.601 -2.763 1.00 75.11 O ATOM 1023 OD2 ASP A 65 31.915 -18.541 -2.523 1.00 44.35 O ATOM 0 H ASP A 65 28.596 -17.375 -4.140 1.00 1.41 H new ATOM 0 HA ASP A 65 30.784 -15.647 -3.860 1.00 33.42 H new ATOM 0 HB2 ASP A 65 30.567 -18.326 -5.295 1.00 31.24 H new ATOM 0 HB3 ASP A 65 32.064 -17.568 -4.791 1.00 31.24 H new ATOM 1028 N ARG A 66 31.614 -14.891 -6.111 1.00 0.53 N ATOM 1029 CA ARG A 66 31.932 -14.234 -7.373 1.00 12.20 C ATOM 1030 C ARG A 66 31.860 -15.222 -8.533 1.00 65.32 C ATOM 1031 O ARG A 66 31.565 -14.843 -9.666 1.00 32.41 O ATOM 1032 CB ARG A 66 33.325 -13.606 -7.309 1.00 3.20 C ATOM 1033 CG ARG A 66 34.455 -14.619 -7.403 1.00 53.42 C ATOM 1034 CD ARG A 66 35.745 -14.071 -6.814 1.00 11.34 C ATOM 1035 NE ARG A 66 36.168 -14.819 -5.633 1.00 65.12 N ATOM 1036 CZ ARG A 66 36.771 -16.002 -5.690 1.00 13.32 C ATOM 1037 NH1 ARG A 66 37.019 -16.567 -6.863 1.00 23.30 N ATOM 1038 NH2 ARG A 66 37.126 -16.621 -4.571 1.00 41.13 N ATOM 0 H ARG A 66 32.269 -14.692 -5.355 1.00 0.53 H new ATOM 0 HA ARG A 66 31.195 -13.449 -7.541 1.00 12.20 H new ATOM 0 HB2 ARG A 66 33.427 -12.885 -8.120 1.00 3.20 H new ATOM 0 HB3 ARG A 66 33.422 -13.052 -6.375 1.00 3.20 H new ATOM 0 HG2 ARG A 66 34.172 -15.531 -6.877 1.00 53.42 H new ATOM 0 HG3 ARG A 66 34.616 -14.890 -8.446 1.00 53.42 H new ATOM 0 HD2 ARG A 66 36.532 -14.108 -7.567 1.00 11.34 H new ATOM 0 HD3 ARG A 66 35.606 -13.023 -6.549 1.00 11.34 H new ATOM 0 HE ARG A 66 35.991 -14.411 -4.715 1.00 65.12 H new ATOM 0 HH11 ARG A 66 36.747 -16.094 -7.725 1.00 23.30 H new ATOM 0 HH12 ARG A 66 37.482 -17.475 -6.904 1.00 23.30 H new ATOM 0 HH21 ARG A 66 36.936 -16.189 -3.667 1.00 41.13 H new ATOM 0 HH22 ARG A 66 37.589 -17.529 -4.615 1.00 41.13 H new ATOM 1052 N GLU A 67 32.134 -16.490 -8.242 1.00 20.15 N ATOM 1053 CA GLU A 67 32.102 -17.532 -9.261 1.00 40.13 C ATOM 1054 C GLU A 67 30.789 -17.492 -10.039 1.00 24.35 C ATOM 1055 O GLU A 67 30.766 -17.148 -11.220 1.00 2.25 O ATOM 1056 CB GLU A 67 32.287 -18.909 -8.621 1.00 30.20 C ATOM 1057 CG GLU A 67 33.742 -19.290 -8.405 1.00 41.33 C ATOM 1058 CD GLU A 67 33.961 -20.790 -8.421 1.00 22.13 C ATOM 1059 OE1 GLU A 67 33.628 -21.427 -9.442 1.00 65.12 O ATOM 1060 OE2 GLU A 67 34.465 -21.327 -7.412 1.00 72.12 O ATOM 0 H GLU A 67 32.381 -16.820 -7.309 1.00 20.15 H new ATOM 0 HA GLU A 67 32.922 -17.350 -9.956 1.00 40.13 H new ATOM 0 HB2 GLU A 67 31.769 -18.927 -7.662 1.00 30.20 H new ATOM 0 HB3 GLU A 67 31.813 -19.660 -9.253 1.00 30.20 H new ATOM 0 HG2 GLU A 67 34.353 -18.829 -9.181 1.00 41.33 H new ATOM 0 HG3 GLU A 67 34.081 -18.887 -7.451 1.00 41.33 H new ATOM 1067 N GLU A 68 29.699 -17.848 -9.366 1.00 62.20 N ATOM 1068 CA GLU A 68 28.383 -17.855 -9.994 1.00 43.20 C ATOM 1069 C GLU A 68 27.766 -16.459 -9.979 1.00 64.24 C ATOM 1070 O GLU A 68 27.117 -16.045 -10.940 1.00 53.04 O ATOM 1071 CB GLU A 68 27.457 -18.841 -9.279 1.00 24.10 C ATOM 1072 CG GLU A 68 27.127 -20.074 -10.104 1.00 3.30 C ATOM 1073 CD GLU A 68 25.899 -19.883 -10.972 1.00 34.02 C ATOM 1074 OE1 GLU A 68 25.691 -18.756 -11.468 1.00 31.12 O ATOM 1075 OE2 GLU A 68 25.145 -20.862 -11.155 1.00 13.22 O ATOM 0 H GLU A 68 29.701 -18.135 -8.387 1.00 62.20 H new ATOM 0 HA GLU A 68 28.505 -18.169 -11.031 1.00 43.20 H new ATOM 0 HB2 GLU A 68 27.924 -19.153 -8.345 1.00 24.10 H new ATOM 0 HB3 GLU A 68 26.530 -18.331 -9.017 1.00 24.10 H new ATOM 0 HG2 GLU A 68 27.979 -20.322 -10.736 1.00 3.30 H new ATOM 0 HG3 GLU A 68 26.968 -20.921 -9.437 1.00 3.30 H new ATOM 1082 N LEU A 69 27.974 -15.739 -8.883 1.00 12.22 N ATOM 1083 CA LEU A 69 27.438 -14.389 -8.741 1.00 62.22 C ATOM 1084 C LEU A 69 27.707 -13.562 -9.995 1.00 20.45 C ATOM 1085 O LEU A 69 26.797 -13.286 -10.776 1.00 74.33 O ATOM 1086 CB LEU A 69 28.052 -13.701 -7.521 1.00 3.01 C ATOM 1087 CG LEU A 69 27.370 -12.411 -7.063 1.00 72.53 C ATOM 1088 CD1 LEU A 69 27.718 -11.263 -7.997 1.00 51.22 C ATOM 1089 CD2 LEU A 69 25.862 -12.603 -6.990 1.00 30.32 C ATOM 0 H LEU A 69 28.510 -16.067 -8.079 1.00 12.22 H new ATOM 0 HA LEU A 69 26.360 -14.465 -8.603 1.00 62.22 H new ATOM 0 HB2 LEU A 69 28.046 -14.406 -6.690 1.00 3.01 H new ATOM 0 HB3 LEU A 69 29.096 -13.478 -7.742 1.00 3.01 H new ATOM 0 HG LEU A 69 27.734 -12.164 -6.066 1.00 72.53 H new ATOM 0 HD11 LEU A 69 27.224 -10.353 -7.655 1.00 51.22 H new ATOM 0 HD12 LEU A 69 28.797 -11.110 -8.000 1.00 51.22 H new ATOM 0 HD13 LEU A 69 27.383 -11.501 -9.007 1.00 51.22 H new ATOM 0 HD21 LEU A 69 25.393 -11.675 -6.662 1.00 30.32 H new ATOM 0 HD22 LEU A 69 25.482 -12.874 -7.975 1.00 30.32 H new ATOM 0 HD23 LEU A 69 25.630 -13.397 -6.280 1.00 30.32 H new ATOM 1101 N CYS A 70 28.963 -13.172 -10.181 1.00 43.31 N ATOM 1102 CA CYS A 70 29.354 -12.378 -11.340 1.00 32.10 C ATOM 1103 C CYS A 70 30.831 -12.581 -11.665 1.00 52.24 C ATOM 1104 O CYS A 70 31.187 -12.933 -12.789 1.00 42.52 O ATOM 1105 CB CYS A 70 29.075 -10.895 -11.086 1.00 70.33 C ATOM 1106 SG CYS A 70 27.388 -10.369 -11.529 1.00 61.54 S ATOM 0 H CYS A 70 29.728 -13.393 -9.544 1.00 43.31 H new ATOM 0 HA CYS A 70 28.763 -12.711 -12.193 1.00 32.10 H new ATOM 0 HB2 CYS A 70 29.246 -10.680 -10.031 1.00 70.33 H new ATOM 0 HB3 CYS A 70 29.790 -10.299 -11.653 1.00 70.33 H new ATOM 1111 N GLY A 71 31.686 -12.356 -10.673 1.00 23.24 N ATOM 1112 CA GLY A 71 33.114 -12.519 -10.873 1.00 24.33 C ATOM 1113 C GLY A 71 33.860 -11.201 -10.827 1.00 45.41 C ATOM 1114 O GLY A 71 34.213 -10.716 -9.752 1.00 13.04 O ATOM 0 H GLY A 71 31.415 -12.064 -9.734 1.00 23.24 H new ATOM 0 HA2 GLY A 71 33.511 -13.185 -10.107 1.00 24.33 H new ATOM 0 HA3 GLY A 71 33.290 -12.999 -11.835 1.00 24.33 H new ATOM 1118 N ARG A 72 34.104 -10.619 -11.997 1.00 74.32 N ATOM 1119 CA ARG A 72 34.816 -9.350 -12.087 1.00 35.25 C ATOM 1120 C ARG A 72 33.837 -8.180 -12.136 1.00 21.31 C ATOM 1121 O ARG A 72 33.621 -7.583 -13.190 1.00 41.12 O ATOM 1122 CB ARG A 72 35.713 -9.331 -13.325 1.00 43.30 C ATOM 1123 CG ARG A 72 36.713 -10.475 -13.371 1.00 11.23 C ATOM 1124 CD ARG A 72 37.980 -10.078 -14.111 1.00 45.20 C ATOM 1125 NE ARG A 72 39.031 -11.083 -13.975 1.00 62.03 N ATOM 1126 CZ ARG A 72 40.296 -10.877 -14.327 1.00 15.44 C ATOM 1127 NH1 ARG A 72 40.664 -9.707 -14.831 1.00 63.45 N ATOM 1128 NH2 ARG A 72 41.194 -11.841 -14.173 1.00 1.35 N ATOM 0 H ARG A 72 33.819 -11.007 -12.896 1.00 74.32 H new ATOM 0 HA ARG A 72 35.436 -9.246 -11.197 1.00 35.25 H new ATOM 0 HB2 ARG A 72 35.088 -9.370 -14.217 1.00 43.30 H new ATOM 0 HB3 ARG A 72 36.254 -8.385 -13.357 1.00 43.30 H new ATOM 0 HG2 ARG A 72 36.964 -10.781 -12.355 1.00 11.23 H new ATOM 0 HG3 ARG A 72 36.259 -11.337 -13.861 1.00 11.23 H new ATOM 0 HD2 ARG A 72 37.752 -9.932 -15.167 1.00 45.20 H new ATOM 0 HD3 ARG A 72 38.340 -9.123 -13.728 1.00 45.20 H new ATOM 0 HE ARG A 72 38.780 -11.993 -13.589 1.00 62.03 H new ATOM 0 HH11 ARG A 72 39.976 -8.963 -14.949 1.00 63.45 H new ATOM 0 HH12 ARG A 72 41.635 -9.551 -15.101 1.00 63.45 H new ATOM 0 HH21 ARG A 72 40.914 -12.741 -13.784 1.00 1.35 H new ATOM 0 HH22 ARG A 72 42.165 -11.682 -14.443 1.00 1.35 H new ATOM 1142 N SER A 73 33.248 -7.859 -10.988 1.00 61.34 N ATOM 1143 CA SER A 73 32.289 -6.764 -10.901 1.00 44.05 C ATOM 1144 C SER A 73 32.342 -6.104 -9.527 1.00 40.30 C ATOM 1145 O SER A 73 32.122 -6.754 -8.505 1.00 50.54 O ATOM 1146 CB SER A 73 30.874 -7.273 -11.181 1.00 62.42 C ATOM 1147 OG SER A 73 30.164 -6.374 -12.014 1.00 52.15 O ATOM 0 H SER A 73 33.418 -8.342 -10.106 1.00 61.34 H new ATOM 0 HA SER A 73 32.555 -6.021 -11.653 1.00 44.05 H new ATOM 0 HB2 SER A 73 30.924 -8.252 -11.657 1.00 62.42 H new ATOM 0 HB3 SER A 73 30.338 -7.403 -10.241 1.00 62.42 H new ATOM 0 HG SER A 73 29.215 -6.619 -12.026 1.00 52.15 H new ATOM 1153 N ALA A 74 32.636 -4.808 -9.511 1.00 55.31 N ATOM 1154 CA ALA A 74 32.715 -4.058 -8.264 1.00 3.23 C ATOM 1155 C ALA A 74 31.439 -4.218 -7.444 1.00 64.40 C ATOM 1156 O ALA A 74 31.463 -4.123 -6.218 1.00 2.44 O ATOM 1157 CB ALA A 74 32.980 -2.587 -8.548 1.00 45.22 C ATOM 0 H ALA A 74 32.823 -4.256 -10.348 1.00 55.31 H new ATOM 0 HA ALA A 74 33.544 -4.460 -7.681 1.00 3.23 H new ATOM 0 HB1 ALA A 74 33.036 -2.039 -7.607 1.00 45.22 H new ATOM 0 HB2 ALA A 74 33.923 -2.484 -9.085 1.00 45.22 H new ATOM 0 HB3 ALA A 74 32.171 -2.182 -9.156 1.00 45.22 H new ATOM 1163 N GLU A 75 30.327 -4.462 -8.130 1.00 63.34 N ATOM 1164 CA GLU A 75 29.042 -4.634 -7.464 1.00 74.32 C ATOM 1165 C GLU A 75 27.974 -5.093 -8.453 1.00 55.41 C ATOM 1166 O GLU A 75 27.726 -4.437 -9.466 1.00 3.14 O ATOM 1167 CB GLU A 75 28.608 -3.327 -6.798 1.00 42.43 C ATOM 1168 CG GLU A 75 27.389 -3.474 -5.903 1.00 64.31 C ATOM 1169 CD GLU A 75 26.666 -2.160 -5.681 1.00 72.23 C ATOM 1170 OE1 GLU A 75 27.184 -1.320 -4.916 1.00 60.20 O ATOM 1171 OE2 GLU A 75 25.582 -1.972 -6.272 1.00 41.13 O ATOM 0 H GLU A 75 30.290 -4.545 -9.146 1.00 63.34 H new ATOM 0 HA GLU A 75 29.158 -5.402 -6.699 1.00 74.32 H new ATOM 0 HB2 GLU A 75 29.437 -2.938 -6.207 1.00 42.43 H new ATOM 0 HB3 GLU A 75 28.394 -2.589 -7.571 1.00 42.43 H new ATOM 0 HG2 GLU A 75 26.701 -4.192 -6.348 1.00 64.31 H new ATOM 0 HG3 GLU A 75 27.697 -3.882 -4.940 1.00 64.31 H new ATOM 1178 N CYS A 76 27.344 -6.223 -8.152 1.00 75.34 N ATOM 1179 CA CYS A 76 26.303 -6.772 -9.014 1.00 12.35 C ATOM 1180 C CYS A 76 24.939 -6.699 -8.333 1.00 1.33 C ATOM 1181 O CYS A 76 24.825 -6.903 -7.124 1.00 44.40 O ATOM 1182 CB CYS A 76 26.626 -8.222 -9.379 1.00 53.20 C ATOM 1183 SG CYS A 76 27.367 -8.425 -11.031 1.00 14.02 S ATOM 0 H CYS A 76 27.536 -6.777 -7.317 1.00 75.34 H new ATOM 0 HA CYS A 76 26.268 -6.174 -9.925 1.00 12.35 H new ATOM 0 HB2 CYS A 76 27.309 -8.630 -8.634 1.00 53.20 H new ATOM 0 HB3 CYS A 76 25.710 -8.811 -9.328 1.00 53.20 H new ATOM 1188 N SER A 77 23.907 -6.407 -9.118 1.00 12.14 N ATOM 1189 CA SER A 77 22.551 -6.303 -8.591 1.00 21.54 C ATOM 1190 C SER A 77 21.742 -7.553 -8.924 1.00 30.34 C ATOM 1191 O SER A 77 22.007 -8.231 -9.917 1.00 23.11 O ATOM 1192 CB SER A 77 21.854 -5.065 -9.157 1.00 42.02 C ATOM 1193 OG SER A 77 22.248 -4.826 -10.497 1.00 62.43 O ATOM 0 H SER A 77 23.984 -6.238 -10.121 1.00 12.14 H new ATOM 0 HA SER A 77 22.615 -6.210 -7.507 1.00 21.54 H new ATOM 0 HB2 SER A 77 20.773 -5.199 -9.111 1.00 42.02 H new ATOM 0 HB3 SER A 77 22.094 -4.196 -8.544 1.00 42.02 H new ATOM 0 HG SER A 77 21.787 -4.030 -10.836 1.00 62.43 H new ATOM 1199 N ILE A 78 20.755 -7.852 -8.086 1.00 55.42 N ATOM 1200 CA ILE A 78 19.906 -9.019 -8.291 1.00 52.35 C ATOM 1201 C ILE A 78 18.432 -8.661 -8.136 1.00 13.34 C ATOM 1202 O ILE A 78 18.063 -7.867 -7.269 1.00 53.25 O ATOM 1203 CB ILE A 78 20.255 -10.149 -7.306 1.00 31.25 C ATOM 1204 CG1 ILE A 78 21.723 -10.551 -7.456 1.00 65.42 C ATOM 1205 CG2 ILE A 78 19.346 -11.348 -7.531 1.00 31.10 C ATOM 1206 CD1 ILE A 78 22.608 -10.038 -6.342 1.00 1.41 C ATOM 0 H ILE A 78 20.524 -7.302 -7.259 1.00 55.42 H new ATOM 0 HA ILE A 78 20.088 -9.366 -9.308 1.00 52.35 H new ATOM 0 HB ILE A 78 20.100 -9.786 -6.290 1.00 31.25 H new ATOM 0 HG12 ILE A 78 21.791 -11.638 -7.492 1.00 65.42 H new ATOM 0 HG13 ILE A 78 22.098 -10.177 -8.408 1.00 65.42 H new ATOM 0 HG21 ILE A 78 19.605 -12.138 -6.827 1.00 31.10 H new ATOM 0 HG22 ILE A 78 18.308 -11.052 -7.378 1.00 31.10 H new ATOM 0 HG23 ILE A 78 19.472 -11.714 -8.550 1.00 31.10 H new ATOM 0 HD11 ILE A 78 23.634 -10.362 -6.515 1.00 1.41 H new ATOM 0 HD12 ILE A 78 22.570 -8.949 -6.319 1.00 1.41 H new ATOM 0 HD13 ILE A 78 22.258 -10.433 -5.388 1.00 1.41 H new ATOM 1218 N HIS A 79 17.592 -9.253 -8.979 1.00 41.21 N ATOM 1219 CA HIS A 79 16.157 -8.998 -8.934 1.00 34.22 C ATOM 1220 C HIS A 79 15.394 -10.258 -8.536 1.00 33.11 C ATOM 1221 O HIS A 79 15.746 -11.365 -8.945 1.00 24.23 O ATOM 1222 CB HIS A 79 15.663 -8.496 -10.291 1.00 62.41 C ATOM 1223 CG HIS A 79 16.538 -7.441 -10.894 1.00 1.44 C ATOM 1224 ND1 HIS A 79 16.962 -7.473 -12.205 1.00 41.33 N ATOM 1225 CD2 HIS A 79 17.068 -6.317 -10.356 1.00 12.10 C ATOM 1226 CE1 HIS A 79 17.716 -6.415 -12.448 1.00 61.50 C ATOM 1227 NE2 HIS A 79 17.796 -5.698 -11.342 1.00 54.31 N ATOM 0 H HIS A 79 17.881 -9.913 -9.702 1.00 41.21 H new ATOM 0 HA HIS A 79 15.973 -8.230 -8.183 1.00 34.22 H new ATOM 0 HB2 HIS A 79 15.597 -9.339 -10.979 1.00 62.41 H new ATOM 0 HB3 HIS A 79 14.655 -8.098 -10.177 1.00 62.41 H new ATOM 0 HD2 HIS A 79 16.942 -5.972 -9.341 1.00 12.10 H new ATOM 0 HE1 HIS A 79 18.187 -6.177 -13.391 1.00 61.50 H new ATOM 0 HE2 HIS A 79 18.314 -4.826 -11.237 1.00 54.31 H new ATOM 1235 N LEU A 80 14.348 -10.083 -7.736 1.00 54.52 N ATOM 1236 CA LEU A 80 13.535 -11.206 -7.282 1.00 54.51 C ATOM 1237 C LEU A 80 12.058 -10.825 -7.234 1.00 4.31 C ATOM 1238 O LEU A 80 11.715 -9.649 -7.113 1.00 31.43 O ATOM 1239 CB LEU A 80 13.998 -11.671 -5.901 1.00 4.33 C ATOM 1240 CG LEU A 80 13.210 -12.826 -5.282 1.00 3.32 C ATOM 1241 CD1 LEU A 80 14.117 -13.687 -4.415 1.00 55.54 C ATOM 1242 CD2 LEU A 80 12.038 -12.296 -4.469 1.00 31.30 C ATOM 0 H LEU A 80 14.043 -9.174 -7.388 1.00 54.52 H new ATOM 0 HA LEU A 80 13.658 -12.022 -7.994 1.00 54.51 H new ATOM 0 HB2 LEU A 80 15.044 -11.968 -5.972 1.00 4.33 H new ATOM 0 HB3 LEU A 80 13.954 -10.821 -5.220 1.00 4.33 H new ATOM 0 HG LEU A 80 12.817 -13.446 -6.088 1.00 3.32 H new ATOM 0 HD11 LEU A 80 13.539 -14.504 -3.983 1.00 55.54 H new ATOM 0 HD12 LEU A 80 14.923 -14.096 -5.025 1.00 55.54 H new ATOM 0 HD13 LEU A 80 14.540 -13.079 -3.615 1.00 55.54 H new ATOM 0 HD21 LEU A 80 11.488 -13.132 -4.036 1.00 31.30 H new ATOM 0 HD22 LEU A 80 12.410 -11.653 -3.671 1.00 31.30 H new ATOM 0 HD23 LEU A 80 11.375 -11.723 -5.117 1.00 31.30 H new ATOM 1254 N GLU A 81 11.190 -11.827 -7.328 1.00 24.33 N ATOM 1255 CA GLU A 81 9.751 -11.596 -7.293 1.00 61.42 C ATOM 1256 C GLU A 81 9.074 -12.533 -6.297 1.00 74.11 C ATOM 1257 O GLU A 81 9.115 -13.754 -6.449 1.00 21.12 O ATOM 1258 CB GLU A 81 9.147 -11.792 -8.686 1.00 3.45 C ATOM 1259 CG GLU A 81 8.970 -10.496 -9.459 1.00 64.03 C ATOM 1260 CD GLU A 81 8.566 -10.729 -10.902 1.00 54.20 C ATOM 1261 OE1 GLU A 81 8.650 -11.886 -11.363 1.00 64.03 O ATOM 1262 OE2 GLU A 81 8.164 -9.753 -11.570 1.00 13.24 O ATOM 0 H GLU A 81 11.458 -12.806 -7.429 1.00 24.33 H new ATOM 0 HA GLU A 81 9.581 -10.568 -6.972 1.00 61.42 H new ATOM 0 HB2 GLU A 81 9.787 -12.463 -9.259 1.00 3.45 H new ATOM 0 HB3 GLU A 81 8.178 -12.282 -8.587 1.00 3.45 H new ATOM 0 HG2 GLU A 81 8.213 -9.885 -8.968 1.00 64.03 H new ATOM 0 HG3 GLU A 81 9.902 -9.931 -9.433 1.00 64.03 H new ATOM 1269 N VAL A 82 8.450 -11.952 -5.277 1.00 41.00 N ATOM 1270 CA VAL A 82 7.763 -12.733 -4.256 1.00 31.33 C ATOM 1271 C VAL A 82 6.275 -12.856 -4.566 1.00 2.33 C ATOM 1272 O VAL A 82 5.525 -11.886 -4.451 1.00 43.21 O ATOM 1273 CB VAL A 82 7.935 -12.107 -2.859 1.00 42.32 C ATOM 1274 CG1 VAL A 82 7.571 -13.109 -1.775 1.00 74.52 C ATOM 1275 CG2 VAL A 82 9.358 -11.603 -2.674 1.00 4.51 C ATOM 0 H VAL A 82 8.406 -10.943 -5.136 1.00 41.00 H new ATOM 0 HA VAL A 82 8.215 -13.725 -4.260 1.00 31.33 H new ATOM 0 HB VAL A 82 7.258 -11.257 -2.775 1.00 42.32 H new ATOM 0 HG11 VAL A 82 7.699 -12.648 -0.796 1.00 74.52 H new ATOM 0 HG12 VAL A 82 6.533 -13.417 -1.898 1.00 74.52 H new ATOM 0 HG13 VAL A 82 8.220 -13.981 -1.853 1.00 74.52 H new ATOM 0 HG21 VAL A 82 9.462 -11.164 -1.682 1.00 4.51 H new ATOM 0 HG22 VAL A 82 10.055 -12.435 -2.778 1.00 4.51 H new ATOM 0 HG23 VAL A 82 9.578 -10.849 -3.430 1.00 4.51 H new ATOM 1285 N ILE A 83 5.855 -14.054 -4.958 1.00 40.53 N ATOM 1286 CA ILE A 83 4.456 -14.303 -5.283 1.00 62.13 C ATOM 1287 C ILE A 83 3.639 -14.572 -4.024 1.00 51.03 C ATOM 1288 O ILE A 83 3.887 -15.540 -3.305 1.00 11.31 O ATOM 1289 CB ILE A 83 4.306 -15.497 -6.244 1.00 72.22 C ATOM 1290 CG1 ILE A 83 5.290 -15.369 -7.409 1.00 75.42 C ATOM 1291 CG2 ILE A 83 2.877 -15.587 -6.758 1.00 53.10 C ATOM 1292 CD1 ILE A 83 6.583 -16.124 -7.193 1.00 52.35 C ATOM 0 H ILE A 83 6.463 -14.867 -5.058 1.00 40.53 H new ATOM 0 HA ILE A 83 4.080 -13.404 -5.772 1.00 62.13 H new ATOM 0 HB ILE A 83 4.534 -16.413 -5.700 1.00 72.22 H new ATOM 0 HG12 ILE A 83 4.813 -15.734 -8.319 1.00 75.42 H new ATOM 0 HG13 ILE A 83 5.516 -14.315 -7.569 1.00 75.42 H new ATOM 0 HG21 ILE A 83 2.787 -16.436 -7.436 1.00 53.10 H new ATOM 0 HG22 ILE A 83 2.196 -15.720 -5.918 1.00 53.10 H new ATOM 0 HG23 ILE A 83 2.623 -14.670 -7.289 1.00 53.10 H new ATOM 0 HD11 ILE A 83 7.232 -15.989 -8.058 1.00 52.35 H new ATOM 0 HD12 ILE A 83 7.082 -15.744 -6.302 1.00 52.35 H new ATOM 0 HD13 ILE A 83 6.368 -17.185 -7.063 1.00 52.35 H new ATOM 1304 N VAL A 84 2.661 -13.710 -3.765 1.00 2.44 N ATOM 1305 CA VAL A 84 1.804 -13.855 -2.594 1.00 62.20 C ATOM 1306 C VAL A 84 0.353 -14.087 -3.001 1.00 2.55 C ATOM 1307 O VAL A 84 -0.217 -13.314 -3.771 1.00 70.01 O ATOM 1308 CB VAL A 84 1.880 -12.614 -1.685 1.00 53.13 C ATOM 1309 CG1 VAL A 84 3.185 -12.602 -0.905 1.00 3.20 C ATOM 1310 CG2 VAL A 84 1.728 -11.343 -2.507 1.00 3.30 C ATOM 0 H VAL A 84 2.442 -12.904 -4.350 1.00 2.44 H new ATOM 0 HA VAL A 84 2.166 -14.722 -2.042 1.00 62.20 H new ATOM 0 HB VAL A 84 1.059 -12.658 -0.970 1.00 53.13 H new ATOM 0 HG11 VAL A 84 3.220 -11.718 -0.269 1.00 3.20 H new ATOM 0 HG12 VAL A 84 3.247 -13.497 -0.286 1.00 3.20 H new ATOM 0 HG13 VAL A 84 4.024 -12.582 -1.600 1.00 3.20 H new ATOM 0 HG21 VAL A 84 1.784 -10.476 -1.849 1.00 3.30 H new ATOM 0 HG22 VAL A 84 2.527 -11.290 -3.246 1.00 3.30 H new ATOM 0 HG23 VAL A 84 0.764 -11.351 -3.015 1.00 3.30 H new ATOM 1320 N ASP A 85 -0.239 -15.154 -2.477 1.00 62.32 N ATOM 1321 CA ASP A 85 -1.625 -15.487 -2.784 1.00 31.31 C ATOM 1322 C ASP A 85 -2.551 -15.056 -1.651 1.00 20.54 C ATOM 1323 O ASP A 85 -2.461 -15.567 -0.534 1.00 44.00 O ATOM 1324 CB ASP A 85 -1.768 -16.990 -3.033 1.00 11.51 C ATOM 1325 CG ASP A 85 -2.429 -17.296 -4.363 1.00 2.35 C ATOM 1326 OD1 ASP A 85 -3.676 -17.278 -4.424 1.00 13.03 O ATOM 1327 OD2 ASP A 85 -1.699 -17.552 -5.342 1.00 64.33 O ATOM 0 H ASP A 85 0.219 -15.803 -1.838 1.00 62.32 H new ATOM 0 HA ASP A 85 -1.911 -14.948 -3.687 1.00 31.31 H new ATOM 0 HB2 ASP A 85 -0.783 -17.455 -3.005 1.00 11.51 H new ATOM 0 HB3 ASP A 85 -2.354 -17.435 -2.229 1.00 11.51 H new ATOM 1332 N ARG A 86 -3.440 -14.114 -1.946 1.00 2.54 N ATOM 1333 CA ARG A 86 -4.381 -13.612 -0.951 1.00 25.31 C ATOM 1334 C ARG A 86 -3.653 -12.835 0.142 1.00 11.22 C ATOM 1335 O ARG A 86 -3.307 -13.372 1.195 1.00 53.32 O ATOM 1336 CB ARG A 86 -5.166 -14.770 -0.332 1.00 2.04 C ATOM 1337 CG ARG A 86 -6.642 -14.768 -0.695 1.00 3.12 C ATOM 1338 CD ARG A 86 -7.158 -16.178 -0.938 1.00 4.40 C ATOM 1339 NE ARG A 86 -7.073 -16.556 -2.346 1.00 53.10 N ATOM 1340 CZ ARG A 86 -7.716 -17.595 -2.868 1.00 10.15 C ATOM 1341 NH1 ARG A 86 -8.486 -18.355 -2.101 1.00 55.34 N ATOM 1342 NH2 ARG A 86 -7.589 -17.875 -4.158 1.00 71.43 N ATOM 0 H ARG A 86 -3.529 -13.683 -2.866 1.00 2.54 H new ATOM 0 HA ARG A 86 -5.076 -12.937 -1.451 1.00 25.31 H new ATOM 0 HB2 ARG A 86 -4.722 -15.712 -0.655 1.00 2.04 H new ATOM 0 HB3 ARG A 86 -5.067 -14.726 0.753 1.00 2.04 H new ATOM 0 HG2 ARG A 86 -7.215 -14.303 0.108 1.00 3.12 H new ATOM 0 HG3 ARG A 86 -6.797 -14.164 -1.589 1.00 3.12 H new ATOM 0 HD2 ARG A 86 -6.583 -16.883 -0.338 1.00 4.40 H new ATOM 0 HD3 ARG A 86 -8.194 -16.247 -0.606 1.00 4.40 H new ATOM 0 HE ARG A 86 -6.488 -15.992 -2.962 1.00 53.10 H new ATOM 0 HH11 ARG A 86 -8.585 -18.142 -1.108 1.00 55.34 H new ATOM 0 HH12 ARG A 86 -8.979 -19.152 -2.504 1.00 55.34 H new ATOM 0 HH21 ARG A 86 -6.997 -17.293 -4.750 1.00 71.43 H new ATOM 0 HH22 ARG A 86 -8.083 -18.673 -4.558 1.00 71.43 H new ATOM 1356 N PRO A 87 -3.414 -11.540 -0.112 1.00 12.43 N ATOM 1357 CA PRO A 87 -3.821 -10.890 -1.361 1.00 44.23 C ATOM 1358 C PRO A 87 -3.009 -11.375 -2.558 1.00 31.04 C ATOM 1359 O PRO A 87 -1.907 -11.903 -2.400 1.00 74.35 O ATOM 1360 CB PRO A 87 -3.547 -9.407 -1.095 1.00 71.45 C ATOM 1361 CG PRO A 87 -2.480 -9.400 -0.056 1.00 12.53 C ATOM 1362 CD PRO A 87 -2.728 -10.610 0.801 1.00 14.14 C ATOM 0 HA PRO A 87 -4.859 -11.107 -1.614 1.00 44.23 H new ATOM 0 HB2 PRO A 87 -3.221 -8.896 -2.001 1.00 71.45 H new ATOM 0 HB3 PRO A 87 -4.444 -8.895 -0.745 1.00 71.45 H new ATOM 0 HG2 PRO A 87 -1.491 -9.441 -0.512 1.00 12.53 H new ATOM 0 HG3 PRO A 87 -2.519 -8.487 0.538 1.00 12.53 H new ATOM 0 HD2 PRO A 87 -1.797 -11.032 1.179 1.00 14.14 H new ATOM 0 HD3 PRO A 87 -3.344 -10.369 1.667 1.00 14.14 H new ATOM 1370 N LEU A 88 -3.559 -11.193 -3.753 1.00 12.41 N ATOM 1371 CA LEU A 88 -2.886 -11.612 -4.977 1.00 44.52 C ATOM 1372 C LEU A 88 -2.030 -10.482 -5.542 1.00 53.10 C ATOM 1373 O LEU A 88 -2.552 -9.469 -6.007 1.00 33.10 O ATOM 1374 CB LEU A 88 -3.912 -12.060 -6.019 1.00 43.34 C ATOM 1375 CG LEU A 88 -4.198 -13.561 -6.077 1.00 52.41 C ATOM 1376 CD1 LEU A 88 -5.688 -13.826 -5.927 1.00 10.13 C ATOM 1377 CD2 LEU A 88 -3.678 -14.153 -7.379 1.00 22.24 C ATOM 0 H LEU A 88 -4.470 -10.758 -3.901 1.00 12.41 H new ATOM 0 HA LEU A 88 -2.234 -12.451 -4.735 1.00 44.52 H new ATOM 0 HB2 LEU A 88 -4.849 -11.539 -5.824 1.00 43.34 H new ATOM 0 HB3 LEU A 88 -3.567 -11.738 -7.001 1.00 43.34 H new ATOM 0 HG LEU A 88 -3.678 -14.043 -5.249 1.00 52.41 H new ATOM 0 HD11 LEU A 88 -5.873 -14.899 -5.971 1.00 10.13 H new ATOM 0 HD12 LEU A 88 -6.032 -13.437 -4.969 1.00 10.13 H new ATOM 0 HD13 LEU A 88 -6.229 -13.332 -6.734 1.00 10.13 H new ATOM 0 HD21 LEU A 88 -3.890 -15.222 -7.403 1.00 22.24 H new ATOM 0 HD22 LEU A 88 -4.169 -13.666 -8.222 1.00 22.24 H new ATOM 0 HD23 LEU A 88 -2.602 -13.995 -7.446 1.00 22.24 H new ATOM 1389 N GLN A 89 -0.715 -10.665 -5.500 1.00 4.14 N ATOM 1390 CA GLN A 89 0.213 -9.661 -6.009 1.00 34.31 C ATOM 1391 C GLN A 89 1.657 -10.125 -5.852 1.00 10.03 C ATOM 1392 O GLN A 89 1.916 -11.239 -5.397 1.00 62.43 O ATOM 1393 CB GLN A 89 0.009 -8.332 -5.280 1.00 40.10 C ATOM 1394 CG GLN A 89 -0.587 -7.242 -6.157 1.00 22.41 C ATOM 1395 CD GLN A 89 0.414 -6.156 -6.498 1.00 55.31 C ATOM 1396 OE1 GLN A 89 1.329 -6.366 -7.295 1.00 35.11 O ATOM 1397 NE2 GLN A 89 0.244 -4.985 -5.896 1.00 4.54 N ATOM 0 H GLN A 89 -0.267 -11.499 -5.119 1.00 4.14 H new ATOM 0 HA GLN A 89 0.010 -9.520 -7.071 1.00 34.31 H new ATOM 0 HB2 GLN A 89 -0.644 -8.494 -4.422 1.00 40.10 H new ATOM 0 HB3 GLN A 89 0.968 -7.990 -4.891 1.00 40.10 H new ATOM 0 HG2 GLN A 89 -0.963 -7.687 -7.078 1.00 22.41 H new ATOM 0 HG3 GLN A 89 -1.441 -6.797 -5.647 1.00 22.41 H new ATOM 0 HE21 GLN A 89 -0.528 -4.855 -5.242 1.00 4.54 H new ATOM 0 HE22 GLN A 89 0.886 -4.215 -6.087 1.00 4.54 H new ATOM 1406 N VAL A 90 2.595 -9.263 -6.231 1.00 12.40 N ATOM 1407 CA VAL A 90 4.014 -9.583 -6.131 1.00 74.34 C ATOM 1408 C VAL A 90 4.779 -8.475 -5.417 1.00 13.00 C ATOM 1409 O VAL A 90 4.346 -7.323 -5.393 1.00 15.32 O ATOM 1410 CB VAL A 90 4.637 -9.809 -7.522 1.00 0.43 C ATOM 1411 CG1 VAL A 90 6.015 -10.439 -7.393 1.00 45.32 C ATOM 1412 CG2 VAL A 90 3.725 -10.672 -8.380 1.00 41.24 C ATOM 0 H VAL A 90 2.398 -8.337 -6.610 1.00 12.40 H new ATOM 0 HA VAL A 90 4.091 -10.503 -5.552 1.00 74.34 H new ATOM 0 HB VAL A 90 4.750 -8.842 -8.012 1.00 0.43 H new ATOM 0 HG11 VAL A 90 6.440 -10.591 -8.385 1.00 45.32 H new ATOM 0 HG12 VAL A 90 6.664 -9.779 -6.818 1.00 45.32 H new ATOM 0 HG13 VAL A 90 5.930 -11.399 -6.883 1.00 45.32 H new ATOM 0 HG21 VAL A 90 4.181 -10.821 -9.359 1.00 41.24 H new ATOM 0 HG22 VAL A 90 3.578 -11.638 -7.897 1.00 41.24 H new ATOM 0 HG23 VAL A 90 2.762 -10.176 -8.500 1.00 41.24 H new ATOM 1422 N PHE A 91 5.920 -8.831 -4.836 1.00 14.21 N ATOM 1423 CA PHE A 91 6.746 -7.866 -4.120 1.00 22.22 C ATOM 1424 C PHE A 91 8.106 -7.710 -4.793 1.00 44.53 C ATOM 1425 O PHE A 91 8.822 -8.689 -5.008 1.00 52.55 O ATOM 1426 CB PHE A 91 6.932 -8.303 -2.665 1.00 41.41 C ATOM 1427 CG PHE A 91 5.649 -8.351 -1.885 1.00 45.31 C ATOM 1428 CD1 PHE A 91 4.759 -7.290 -1.925 1.00 73.20 C ATOM 1429 CD2 PHE A 91 5.335 -9.456 -1.111 1.00 72.34 C ATOM 1430 CE1 PHE A 91 3.577 -7.331 -1.209 1.00 22.43 C ATOM 1431 CE2 PHE A 91 4.155 -9.503 -0.393 1.00 72.34 C ATOM 1432 CZ PHE A 91 3.276 -8.439 -0.441 1.00 75.11 C ATOM 0 H PHE A 91 6.293 -9.780 -4.847 1.00 14.21 H new ATOM 0 HA PHE A 91 6.237 -6.902 -4.141 1.00 22.22 H new ATOM 0 HB2 PHE A 91 7.396 -9.289 -2.647 1.00 41.41 H new ATOM 0 HB3 PHE A 91 7.622 -7.617 -2.173 1.00 41.41 H new ATOM 0 HD1 PHE A 91 4.991 -6.421 -2.522 1.00 73.20 H new ATOM 0 HD2 PHE A 91 6.020 -10.290 -1.068 1.00 72.34 H new ATOM 0 HE1 PHE A 91 2.890 -6.498 -1.250 1.00 22.43 H new ATOM 0 HE2 PHE A 91 3.921 -10.371 0.205 1.00 72.34 H new ATOM 0 HZ PHE A 91 2.354 -8.473 0.121 1.00 75.11 H new ATOM 1442 N HIS A 92 8.457 -6.471 -5.125 1.00 11.24 N ATOM 1443 CA HIS A 92 9.731 -6.185 -5.774 1.00 42.41 C ATOM 1444 C HIS A 92 10.885 -6.302 -4.782 1.00 53.24 C ATOM 1445 O HIS A 92 10.989 -5.516 -3.840 1.00 64.24 O ATOM 1446 CB HIS A 92 9.712 -4.785 -6.388 1.00 55.52 C ATOM 1447 CG HIS A 92 10.119 -4.757 -7.829 1.00 55.13 C ATOM 1448 ND1 HIS A 92 9.651 -3.819 -8.725 1.00 44.35 N ATOM 1449 CD2 HIS A 92 10.956 -5.559 -8.528 1.00 53.44 C ATOM 1450 CE1 HIS A 92 10.182 -4.046 -9.914 1.00 2.43 C ATOM 1451 NE2 HIS A 92 10.978 -5.096 -9.821 1.00 51.21 N ATOM 0 H HIS A 92 7.877 -5.650 -4.955 1.00 11.24 H new ATOM 0 HA HIS A 92 9.880 -6.919 -6.566 1.00 42.41 H new ATOM 0 HB2 HIS A 92 8.709 -4.370 -6.294 1.00 55.52 H new ATOM 0 HB3 HIS A 92 10.379 -4.138 -5.818 1.00 55.52 H new ATOM 0 HD2 HIS A 92 11.504 -6.405 -8.141 1.00 53.44 H new ATOM 0 HE1 HIS A 92 9.997 -3.471 -10.809 1.00 2.43 H new ATOM 0 HE2 HIS A 92 11.521 -5.498 -10.585 1.00 51.21 H new ATOM 1459 N VAL A 93 11.748 -7.289 -5.001 1.00 4.55 N ATOM 1460 CA VAL A 93 12.894 -7.508 -4.127 1.00 25.55 C ATOM 1461 C VAL A 93 14.205 -7.382 -4.896 1.00 35.20 C ATOM 1462 O VAL A 93 14.394 -8.027 -5.927 1.00 3.32 O ATOM 1463 CB VAL A 93 12.835 -8.896 -3.461 1.00 35.12 C ATOM 1464 CG1 VAL A 93 14.144 -9.205 -2.751 1.00 12.12 C ATOM 1465 CG2 VAL A 93 11.663 -8.972 -2.493 1.00 70.35 C ATOM 0 H VAL A 93 11.675 -7.949 -5.775 1.00 4.55 H new ATOM 0 HA VAL A 93 12.854 -6.740 -3.355 1.00 25.55 H new ATOM 0 HB VAL A 93 12.686 -9.646 -4.238 1.00 35.12 H new ATOM 0 HG11 VAL A 93 14.083 -10.189 -2.287 1.00 12.12 H new ATOM 0 HG12 VAL A 93 14.961 -9.194 -3.473 1.00 12.12 H new ATOM 0 HG13 VAL A 93 14.328 -8.453 -1.984 1.00 12.12 H new ATOM 0 HG21 VAL A 93 11.636 -9.959 -2.031 1.00 70.35 H new ATOM 0 HG22 VAL A 93 11.780 -8.213 -1.720 1.00 70.35 H new ATOM 0 HG23 VAL A 93 10.733 -8.799 -3.034 1.00 70.35 H new ATOM 1475 N GLU A 94 15.105 -6.548 -4.387 1.00 5.41 N ATOM 1476 CA GLU A 94 16.398 -6.337 -5.027 1.00 44.04 C ATOM 1477 C GLU A 94 17.534 -6.466 -4.016 1.00 71.22 C ATOM 1478 O GLU A 94 17.652 -5.662 -3.092 1.00 14.13 O ATOM 1479 CB GLU A 94 16.446 -4.959 -5.690 1.00 54.33 C ATOM 1480 CG GLU A 94 15.936 -4.954 -7.122 1.00 23.11 C ATOM 1481 CD GLU A 94 14.801 -3.972 -7.334 1.00 10.40 C ATOM 1482 OE1 GLU A 94 15.068 -2.752 -7.357 1.00 15.14 O ATOM 1483 OE2 GLU A 94 13.645 -4.423 -7.478 1.00 25.23 O ATOM 0 H GLU A 94 14.963 -6.007 -3.534 1.00 5.41 H new ATOM 0 HA GLU A 94 16.525 -7.104 -5.791 1.00 44.04 H new ATOM 0 HB2 GLU A 94 15.853 -4.260 -5.100 1.00 54.33 H new ATOM 0 HB3 GLU A 94 17.473 -4.595 -5.678 1.00 54.33 H new ATOM 0 HG2 GLU A 94 16.757 -4.706 -7.795 1.00 23.11 H new ATOM 0 HG3 GLU A 94 15.599 -5.956 -7.387 1.00 23.11 H new ATOM 1490 N VAL A 95 18.368 -7.485 -4.199 1.00 31.22 N ATOM 1491 CA VAL A 95 19.495 -7.721 -3.304 1.00 14.32 C ATOM 1492 C VAL A 95 20.821 -7.456 -4.008 1.00 75.32 C ATOM 1493 O VAL A 95 21.052 -7.937 -5.117 1.00 73.10 O ATOM 1494 CB VAL A 95 19.491 -9.164 -2.765 1.00 0.53 C ATOM 1495 CG1 VAL A 95 18.286 -9.395 -1.866 1.00 73.13 C ATOM 1496 CG2 VAL A 95 19.510 -10.161 -3.913 1.00 52.01 C ATOM 0 H VAL A 95 18.284 -8.160 -4.959 1.00 31.22 H new ATOM 0 HA VAL A 95 19.386 -7.029 -2.469 1.00 14.32 H new ATOM 0 HB VAL A 95 20.392 -9.314 -2.170 1.00 0.53 H new ATOM 0 HG11 VAL A 95 18.300 -10.420 -1.495 1.00 73.13 H new ATOM 0 HG12 VAL A 95 18.322 -8.704 -1.024 1.00 73.13 H new ATOM 0 HG13 VAL A 95 17.371 -9.228 -2.434 1.00 73.13 H new ATOM 0 HG21 VAL A 95 19.507 -11.175 -3.514 1.00 52.01 H new ATOM 0 HG22 VAL A 95 18.629 -10.014 -4.537 1.00 52.01 H new ATOM 0 HG23 VAL A 95 20.408 -10.009 -4.512 1.00 52.01 H new ATOM 1506 N GLU A 96 21.688 -6.689 -3.356 1.00 3.11 N ATOM 1507 CA GLU A 96 22.992 -6.360 -3.921 1.00 32.50 C ATOM 1508 C GLU A 96 24.104 -7.116 -3.199 1.00 12.22 C ATOM 1509 O GLU A 96 23.958 -7.497 -2.037 1.00 41.51 O ATOM 1510 CB GLU A 96 23.245 -4.854 -3.835 1.00 54.21 C ATOM 1511 CG GLU A 96 23.582 -4.372 -2.434 1.00 62.11 C ATOM 1512 CD GLU A 96 23.811 -2.874 -2.371 1.00 72.44 C ATOM 1513 OE1 GLU A 96 24.430 -2.329 -3.308 1.00 44.50 O ATOM 1514 OE2 GLU A 96 23.369 -2.248 -1.385 1.00 64.30 O ATOM 0 H GLU A 96 21.512 -6.284 -2.437 1.00 3.11 H new ATOM 0 HA GLU A 96 22.992 -6.661 -4.969 1.00 32.50 H new ATOM 0 HB2 GLU A 96 24.063 -4.593 -4.506 1.00 54.21 H new ATOM 0 HB3 GLU A 96 22.360 -4.325 -4.189 1.00 54.21 H new ATOM 0 HG2 GLU A 96 22.771 -4.641 -1.757 1.00 62.11 H new ATOM 0 HG3 GLU A 96 24.476 -4.887 -2.082 1.00 62.11 H new ATOM 1521 N VAL A 97 25.215 -7.330 -3.896 1.00 2.21 N ATOM 1522 CA VAL A 97 26.353 -8.039 -3.322 1.00 52.23 C ATOM 1523 C VAL A 97 27.487 -7.077 -2.985 1.00 54.00 C ATOM 1524 O VAL A 97 27.992 -6.368 -3.855 1.00 64.23 O ATOM 1525 CB VAL A 97 26.881 -9.122 -4.282 1.00 2.51 C ATOM 1526 CG1 VAL A 97 25.977 -10.344 -4.258 1.00 34.12 C ATOM 1527 CG2 VAL A 97 27.005 -8.567 -5.693 1.00 62.52 C ATOM 0 H VAL A 97 25.352 -7.023 -4.859 1.00 2.21 H new ATOM 0 HA VAL A 97 26.001 -8.515 -2.407 1.00 52.23 H new ATOM 0 HB VAL A 97 27.872 -9.428 -3.948 1.00 2.51 H new ATOM 0 HG11 VAL A 97 26.366 -11.098 -4.942 1.00 34.12 H new ATOM 0 HG12 VAL A 97 25.944 -10.753 -3.248 1.00 34.12 H new ATOM 0 HG13 VAL A 97 24.971 -10.059 -4.566 1.00 34.12 H new ATOM 0 HG21 VAL A 97 27.379 -9.345 -6.358 1.00 62.52 H new ATOM 0 HG22 VAL A 97 26.027 -8.233 -6.040 1.00 62.52 H new ATOM 0 HG23 VAL A 97 27.697 -7.725 -5.693 1.00 62.52 H new ATOM 1537 N ARG A 98 27.881 -7.058 -1.716 1.00 64.12 N ATOM 1538 CA ARG A 98 28.956 -6.183 -1.263 1.00 54.42 C ATOM 1539 C ARG A 98 30.312 -6.865 -1.413 1.00 4.55 C ATOM 1540 O ARG A 98 30.612 -7.833 -0.714 1.00 74.31 O ATOM 1541 CB ARG A 98 28.733 -5.780 0.196 1.00 40.23 C ATOM 1542 CG ARG A 98 28.533 -4.286 0.391 1.00 1.24 C ATOM 1543 CD ARG A 98 29.718 -3.654 1.105 1.00 41.13 C ATOM 1544 NE ARG A 98 29.552 -2.212 1.271 1.00 72.51 N ATOM 1545 CZ ARG A 98 30.519 -1.405 1.691 1.00 41.31 C ATOM 1546 NH1 ARG A 98 31.715 -1.895 1.985 1.00 4.32 N ATOM 1547 NH2 ARG A 98 30.291 -0.104 1.817 1.00 53.32 N ATOM 0 H ARG A 98 27.472 -7.638 -0.983 1.00 64.12 H new ATOM 0 HA ARG A 98 28.949 -5.288 -1.885 1.00 54.42 H new ATOM 0 HB2 ARG A 98 27.861 -6.308 0.581 1.00 40.23 H new ATOM 0 HB3 ARG A 98 29.589 -6.104 0.789 1.00 40.23 H new ATOM 0 HG2 ARG A 98 28.393 -3.807 -0.578 1.00 1.24 H new ATOM 0 HG3 ARG A 98 27.624 -4.112 0.967 1.00 1.24 H new ATOM 0 HD2 ARG A 98 29.842 -4.119 2.083 1.00 41.13 H new ATOM 0 HD3 ARG A 98 30.629 -3.851 0.540 1.00 41.13 H new ATOM 0 HE ARG A 98 28.644 -1.803 1.052 1.00 72.51 H new ATOM 0 HH11 ARG A 98 31.894 -2.894 1.889 1.00 4.32 H new ATOM 0 HH12 ARG A 98 32.456 -1.273 2.307 1.00 4.32 H new ATOM 0 HH21 ARG A 98 29.372 0.277 1.591 1.00 53.32 H new ATOM 0 HH22 ARG A 98 31.035 0.515 2.140 1.00 53.32 H new ATOM 1561 N ASP A 99 31.128 -6.353 -2.327 1.00 44.42 N ATOM 1562 CA ASP A 99 32.454 -6.911 -2.568 1.00 73.51 C ATOM 1563 C ASP A 99 33.183 -6.130 -3.656 1.00 63.24 C ATOM 1564 O ASP A 99 32.698 -5.101 -4.126 1.00 51.41 O ATOM 1565 CB ASP A 99 32.345 -8.384 -2.966 1.00 71.20 C ATOM 1566 CG ASP A 99 33.008 -9.306 -1.961 1.00 54.02 C ATOM 1567 OD1 ASP A 99 32.923 -9.021 -0.748 1.00 40.21 O ATOM 1568 OD2 ASP A 99 33.610 -10.313 -2.388 1.00 1.12 O ATOM 0 H ASP A 99 30.895 -5.552 -2.914 1.00 44.42 H new ATOM 0 HA ASP A 99 33.028 -6.833 -1.644 1.00 73.51 H new ATOM 0 HB2 ASP A 99 31.294 -8.654 -3.064 1.00 71.20 H new ATOM 0 HB3 ASP A 99 32.803 -8.528 -3.944 1.00 71.20 H new ATOM 1573 N ILE A 100 34.351 -6.626 -4.051 1.00 41.14 N ATOM 1574 CA ILE A 100 35.147 -5.974 -5.084 1.00 60.10 C ATOM 1575 C ILE A 100 35.686 -6.990 -6.086 1.00 0.34 C ATOM 1576 O ILE A 100 35.816 -8.173 -5.776 1.00 33.21 O ATOM 1577 CB ILE A 100 36.327 -5.193 -4.476 1.00 62.32 C ATOM 1578 CG1 ILE A 100 37.229 -6.133 -3.673 1.00 50.20 C ATOM 1579 CG2 ILE A 100 35.817 -4.061 -3.598 1.00 13.22 C ATOM 1580 CD1 ILE A 100 36.798 -6.299 -2.233 1.00 33.53 C ATOM 0 H ILE A 100 34.767 -7.477 -3.672 1.00 41.14 H new ATOM 0 HA ILE A 100 34.486 -5.276 -5.598 1.00 60.10 H new ATOM 0 HB ILE A 100 36.914 -4.761 -5.287 1.00 62.32 H new ATOM 0 HG12 ILE A 100 37.242 -7.111 -4.155 1.00 50.20 H new ATOM 0 HG13 ILE A 100 38.250 -5.752 -3.697 1.00 50.20 H new ATOM 0 HG21 ILE A 100 36.663 -3.519 -3.176 1.00 13.22 H new ATOM 0 HG22 ILE A 100 35.212 -3.380 -4.197 1.00 13.22 H new ATOM 0 HG23 ILE A 100 35.210 -4.472 -2.791 1.00 13.22 H new ATOM 0 HD11 ILE A 100 37.482 -6.978 -1.724 1.00 33.53 H new ATOM 0 HD12 ILE A 100 36.812 -5.330 -1.735 1.00 33.53 H new ATOM 0 HD13 ILE A 100 35.789 -6.709 -2.200 1.00 33.53 H new