USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 587 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0258) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.15) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 82:sc= 1.19 USER MOD Single : A 17 HIS : no HD1:sc= -0.954 K(o=-0.95,f=-2.3!) USER MOD Single : A 20 THR OG1 : rot 36:sc= 0.432 USER MOD Single : A 23 LYS NZ :NH3+ 135:sc= 1.27 (180deg=0.803) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.88 K(o=0.88,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -150:sc= -0.644 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0865 USER MOD Single : A 64 SER OG : rot -160:sc= -0.0294 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0442 USER MOD Single : A 71 THR OG1 : rot 170:sc=-0.00935 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= -0.0288 (180deg=-0.193) USER MOD Single : A 76 ASN : amide:sc= 0.698 K(o=0.7,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 32 N TYR A 3 10.507 -15.065 3.755 1.00 0.00 N ATOM 33 CA TYR A 3 9.976 -14.317 2.625 1.00 0.00 C ATOM 34 C TYR A 3 8.957 -15.162 1.877 1.00 0.00 C ATOM 35 O TYR A 3 9.313 -16.149 1.229 1.00 0.00 O ATOM 36 CB TYR A 3 11.100 -13.891 1.675 1.00 0.00 C ATOM 37 CG TYR A 3 12.071 -12.893 2.273 1.00 0.00 C ATOM 38 CD1 TYR A 3 11.834 -11.529 2.182 1.00 0.00 C ATOM 39 CD2 TYR A 3 13.227 -13.316 2.916 1.00 0.00 C ATOM 40 CE1 TYR A 3 12.719 -10.612 2.717 1.00 0.00 C ATOM 41 CE2 TYR A 3 14.117 -12.405 3.452 1.00 0.00 C ATOM 42 CZ TYR A 3 13.860 -11.057 3.348 1.00 0.00 C ATOM 43 OH TYR A 3 14.750 -10.147 3.876 1.00 0.00 O ATOM 0 HA TYR A 3 9.490 -13.419 3.006 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.653 -14.777 1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.658 -13.459 0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.942 -11.178 1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 3 13.433 -14.373 2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.517 -9.554 2.641 1.00 0.00 H new ATOM 0 HE2 TYR A 3 15.011 -12.750 3.951 1.00 0.00 H new ATOM 0 HH TYR A 3 15.501 -10.624 4.287 1.00 0.00 H new ATOM 53 N LYS A 4 7.692 -14.789 1.989 1.00 0.00 N ATOM 54 CA LYS A 4 6.620 -15.508 1.318 1.00 0.00 C ATOM 55 C LYS A 4 6.644 -15.218 -0.177 1.00 0.00 C ATOM 56 O LYS A 4 6.440 -14.083 -0.600 1.00 0.00 O ATOM 57 CB LYS A 4 5.269 -15.105 1.909 1.00 0.00 C ATOM 58 CG LYS A 4 5.136 -15.424 3.387 1.00 0.00 C ATOM 59 CD LYS A 4 3.851 -14.854 3.964 1.00 0.00 C ATOM 60 CE LYS A 4 3.715 -15.162 5.447 1.00 0.00 C ATOM 61 NZ LYS A 4 3.485 -16.610 5.702 1.00 0.00 N ATOM 0 H LYS A 4 7.381 -13.989 2.541 1.00 0.00 H new ATOM 0 HA LYS A 4 6.768 -16.577 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.121 -14.035 1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.476 -15.615 1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.153 -16.504 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.991 -15.017 3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.832 -13.775 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.997 -15.266 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.618 -14.842 5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.888 -14.586 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.281 -16.757 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.678 -16.939 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.335 -17.148 5.439 1.00 0.00 H new ATOM 75 N ALA A 5 6.907 -16.240 -0.978 1.00 0.00 N ATOM 76 CA ALA A 5 6.982 -16.058 -2.418 1.00 0.00 C ATOM 77 C ALA A 5 5.898 -16.850 -3.138 1.00 0.00 C ATOM 78 O ALA A 5 6.019 -18.061 -3.333 1.00 0.00 O ATOM 79 CB ALA A 5 8.357 -16.459 -2.928 1.00 0.00 C ATOM 0 H ALA A 5 7.070 -17.195 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 5 6.818 -15.002 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.400 -16.318 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.117 -15.840 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.541 -17.507 -2.691 1.00 0.00 H new ATOM 85 N PRO A 6 4.807 -16.177 -3.517 1.00 0.00 N ATOM 86 CA PRO A 6 3.761 -16.743 -4.348 1.00 0.00 C ATOM 87 C PRO A 6 3.910 -16.323 -5.809 1.00 0.00 C ATOM 88 O PRO A 6 4.737 -15.472 -6.140 1.00 0.00 O ATOM 89 CB PRO A 6 2.515 -16.106 -3.740 1.00 0.00 C ATOM 90 CG PRO A 6 2.963 -14.741 -3.315 1.00 0.00 C ATOM 91 CD PRO A 6 4.464 -14.806 -3.116 1.00 0.00 C ATOM 0 HA PRO A 6 3.759 -17.833 -4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.703 -16.050 -4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.146 -16.685 -2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.707 -13.999 -4.071 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.465 -14.442 -2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.982 -14.068 -3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.740 -14.611 -2.080 1.00 0.00 H new ATOM 99 N GLU A 7 3.111 -16.907 -6.678 1.00 0.00 N ATOM 100 CA GLU A 7 3.090 -16.496 -8.070 1.00 0.00 C ATOM 101 C GLU A 7 1.656 -16.455 -8.573 1.00 0.00 C ATOM 102 O GLU A 7 0.771 -17.094 -8.003 1.00 0.00 O ATOM 103 CB GLU A 7 3.938 -17.439 -8.923 1.00 0.00 C ATOM 104 CG GLU A 7 4.946 -16.723 -9.812 1.00 0.00 C ATOM 105 CD GLU A 7 4.287 -15.818 -10.832 1.00 0.00 C ATOM 106 OE1 GLU A 7 3.899 -14.690 -10.471 1.00 0.00 O ATOM 107 OE2 GLU A 7 4.133 -16.243 -11.996 1.00 0.00 O ATOM 0 H GLU A 7 2.469 -17.665 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 7 3.518 -15.497 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.471 -18.128 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.278 -18.040 -9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.618 -16.133 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.557 -17.462 -10.330 1.00 0.00 H new ATOM 114 N GLY A 8 1.426 -15.687 -9.624 1.00 0.00 N ATOM 115 CA GLY A 8 0.084 -15.520 -10.138 1.00 0.00 C ATOM 116 C GLY A 8 -0.459 -14.155 -9.794 1.00 0.00 C ATOM 117 O GLY A 8 -1.511 -13.744 -10.286 1.00 0.00 O ATOM 0 H GLY A 8 2.147 -15.174 -10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.086 -15.653 -11.220 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.567 -16.290 -9.723 1.00 0.00 H new ATOM 121 N LYS A 9 0.265 -13.456 -8.936 1.00 0.00 N ATOM 122 CA LYS A 9 -0.101 -12.107 -8.548 1.00 0.00 C ATOM 123 C LYS A 9 0.891 -11.132 -9.171 1.00 0.00 C ATOM 124 O LYS A 9 1.934 -11.546 -9.680 1.00 0.00 O ATOM 125 CB LYS A 9 -0.138 -11.973 -7.007 1.00 0.00 C ATOM 126 CG LYS A 9 1.177 -11.553 -6.336 1.00 0.00 C ATOM 127 CD LYS A 9 2.343 -12.464 -6.698 1.00 0.00 C ATOM 128 CE LYS A 9 3.602 -12.084 -5.932 1.00 0.00 C ATOM 129 NZ LYS A 9 4.804 -12.808 -6.431 1.00 0.00 N ATOM 0 H LYS A 9 1.115 -13.805 -8.493 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.102 -11.875 -8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.906 -11.245 -6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.448 -12.930 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.417 -10.530 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.044 -11.554 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.080 -13.499 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.535 -12.404 -7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.766 -11.010 -6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.461 -12.303 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.663 -12.346 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.776 -13.794 -6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.814 -12.789 -7.471 1.00 0.00 H new ATOM 143 N GLY A 10 0.575 -9.857 -9.144 1.00 0.00 N ATOM 144 CA GLY A 10 1.494 -8.878 -9.653 1.00 0.00 C ATOM 145 C GLY A 10 1.792 -7.821 -8.624 1.00 0.00 C ATOM 146 O GLY A 10 1.806 -8.086 -7.423 1.00 0.00 O ATOM 0 H GLY A 10 -0.301 -9.482 -8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.420 -9.367 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.075 -8.412 -10.545 1.00 0.00 H new ATOM 150 N TYR A 11 1.997 -6.612 -9.099 1.00 0.00 N ATOM 151 CA TYR A 11 2.259 -5.472 -8.239 1.00 0.00 C ATOM 152 C TYR A 11 0.989 -5.063 -7.497 1.00 0.00 C ATOM 153 O TYR A 11 1.014 -4.193 -6.632 1.00 0.00 O ATOM 154 CB TYR A 11 2.760 -4.302 -9.085 1.00 0.00 C ATOM 155 CG TYR A 11 1.726 -3.791 -10.063 1.00 0.00 C ATOM 156 CD1 TYR A 11 1.280 -4.590 -11.105 1.00 0.00 C ATOM 157 CD2 TYR A 11 1.185 -2.520 -9.936 1.00 0.00 C ATOM 158 CE1 TYR A 11 0.322 -4.147 -11.987 1.00 0.00 C ATOM 159 CE2 TYR A 11 0.228 -2.064 -10.819 1.00 0.00 C ATOM 160 CZ TYR A 11 -0.202 -2.882 -11.845 1.00 0.00 C ATOM 161 OH TYR A 11 -1.164 -2.438 -12.722 1.00 0.00 O ATOM 0 H TYR A 11 1.987 -6.388 -10.094 1.00 0.00 H new ATOM 0 HA TYR A 11 3.018 -5.747 -7.507 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.061 -3.488 -8.426 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.649 -4.613 -9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.693 -5.580 -11.226 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.518 -1.878 -9.134 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.017 -4.788 -12.787 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.183 -1.071 -10.708 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.429 -1.525 -12.483 1.00 0.00 H new ATOM 171 N ALA A 12 -0.115 -5.721 -7.816 1.00 0.00 N ATOM 172 CA ALA A 12 -1.408 -5.325 -7.287 1.00 0.00 C ATOM 173 C ALA A 12 -1.577 -5.805 -5.856 1.00 0.00 C ATOM 174 O ALA A 12 -2.481 -5.360 -5.144 1.00 0.00 O ATOM 175 CB ALA A 12 -2.527 -5.855 -8.168 1.00 0.00 C ATOM 0 H ALA A 12 -0.140 -6.530 -8.437 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.458 -4.236 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.489 -5.549 -7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.418 -5.453 -9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.477 -6.943 -8.204 1.00 0.00 H new ATOM 181 N ASP A 13 -0.691 -6.695 -5.426 1.00 0.00 N ATOM 182 CA ASP A 13 -0.715 -7.173 -4.057 1.00 0.00 C ATOM 183 C ASP A 13 -0.290 -6.053 -3.120 1.00 0.00 C ATOM 184 O ASP A 13 -1.074 -5.594 -2.293 1.00 0.00 O ATOM 185 CB ASP A 13 0.204 -8.386 -3.880 1.00 0.00 C ATOM 186 CG ASP A 13 0.133 -8.962 -2.475 1.00 0.00 C ATOM 187 OD1 ASP A 13 0.791 -8.413 -1.571 1.00 0.00 O ATOM 188 OD2 ASP A 13 -0.590 -9.962 -2.272 1.00 0.00 O ATOM 0 H ASP A 13 0.047 -7.096 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.731 -7.484 -3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.071 -9.156 -4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.231 -8.096 -4.100 1.00 0.00 H new ATOM 193 N VAL A 14 0.932 -5.569 -3.296 1.00 0.00 N ATOM 194 CA VAL A 14 1.484 -4.561 -2.403 1.00 0.00 C ATOM 195 C VAL A 14 0.744 -3.236 -2.532 1.00 0.00 C ATOM 196 O VAL A 14 0.646 -2.484 -1.569 1.00 0.00 O ATOM 197 CB VAL A 14 2.990 -4.347 -2.641 1.00 0.00 C ATOM 198 CG1 VAL A 14 3.745 -5.621 -2.356 1.00 0.00 C ATOM 199 CG2 VAL A 14 3.269 -3.895 -4.059 1.00 0.00 C ATOM 0 H VAL A 14 1.558 -5.858 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 14 1.350 -4.937 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 14 3.326 -3.563 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.809 -5.459 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.585 -5.914 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.387 -6.411 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.342 -3.754 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.914 -4.651 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.753 -2.954 -4.249 1.00 0.00 H new ATOM 209 N ALA A 15 0.204 -2.964 -3.713 1.00 0.00 N ATOM 210 CA ALA A 15 -0.602 -1.768 -3.922 1.00 0.00 C ATOM 211 C ALA A 15 -1.798 -1.758 -2.973 1.00 0.00 C ATOM 212 O ALA A 15 -2.161 -0.723 -2.415 1.00 0.00 O ATOM 213 CB ALA A 15 -1.069 -1.690 -5.365 1.00 0.00 C ATOM 0 H ALA A 15 0.309 -3.553 -4.539 1.00 0.00 H new ATOM 0 HA ALA A 15 0.014 -0.894 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.670 -0.791 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.203 -1.654 -6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.670 -2.568 -5.601 1.00 0.00 H new ATOM 219 N THR A 16 -2.391 -2.927 -2.780 1.00 0.00 N ATOM 220 CA THR A 16 -3.536 -3.069 -1.900 1.00 0.00 C ATOM 221 C THR A 16 -3.083 -3.223 -0.448 1.00 0.00 C ATOM 222 O THR A 16 -3.680 -2.656 0.470 1.00 0.00 O ATOM 223 CB THR A 16 -4.378 -4.292 -2.308 1.00 0.00 C ATOM 224 OG1 THR A 16 -4.601 -4.274 -3.725 1.00 0.00 O ATOM 225 CG2 THR A 16 -5.714 -4.302 -1.587 1.00 0.00 C ATOM 0 H THR A 16 -2.094 -3.795 -3.226 1.00 0.00 H new ATOM 0 HA THR A 16 -4.144 -2.169 -1.988 1.00 0.00 H new ATOM 0 HB THR A 16 -3.829 -5.191 -2.029 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.821 -4.650 -4.184 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.287 -5.177 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.546 -4.338 -0.511 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.269 -3.398 -1.837 1.00 0.00 H new ATOM 233 N HIS A 17 -2.002 -3.970 -0.256 1.00 0.00 N ATOM 234 CA HIS A 17 -1.483 -4.265 1.067 1.00 0.00 C ATOM 235 C HIS A 17 -0.863 -3.027 1.723 1.00 0.00 C ATOM 236 O HIS A 17 -0.699 -2.978 2.940 1.00 0.00 O ATOM 237 CB HIS A 17 -0.462 -5.399 0.973 1.00 0.00 C ATOM 238 CG HIS A 17 -1.074 -6.766 0.836 1.00 0.00 C ATOM 239 ND1 HIS A 17 -0.817 -7.800 1.708 1.00 0.00 N ATOM 240 CD2 HIS A 17 -1.915 -7.274 -0.097 1.00 0.00 C ATOM 241 CE1 HIS A 17 -1.466 -8.879 1.316 1.00 0.00 C ATOM 242 NE2 HIS A 17 -2.141 -8.591 0.221 1.00 0.00 N ATOM 0 H HIS A 17 -1.463 -4.387 -1.015 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.313 -4.578 1.700 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.190 -5.217 0.118 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.167 -5.382 1.863 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.332 -6.740 -0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.448 -9.839 1.810 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -2.732 -9.237 -0.302 1.00 0.00 H new ATOM 251 N PHE A 18 -0.502 -2.037 0.915 1.00 0.00 N ATOM 252 CA PHE A 18 0.034 -0.784 1.443 1.00 0.00 C ATOM 253 C PHE A 18 -1.073 0.096 2.004 1.00 0.00 C ATOM 254 O PHE A 18 -0.839 0.912 2.894 1.00 0.00 O ATOM 255 CB PHE A 18 0.802 -0.020 0.367 1.00 0.00 C ATOM 256 CG PHE A 18 2.293 -0.102 0.527 1.00 0.00 C ATOM 257 CD1 PHE A 18 3.006 -1.170 0.006 1.00 0.00 C ATOM 258 CD2 PHE A 18 2.983 0.896 1.198 1.00 0.00 C ATOM 259 CE1 PHE A 18 4.377 -1.239 0.150 1.00 0.00 C ATOM 260 CE2 PHE A 18 4.354 0.832 1.347 1.00 0.00 C ATOM 261 CZ PHE A 18 5.052 -0.238 0.822 1.00 0.00 C ATOM 0 H PHE A 18 -0.569 -2.075 -0.102 1.00 0.00 H new ATOM 0 HA PHE A 18 0.719 -1.041 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.527 -0.411 -0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.499 1.027 0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.483 -1.957 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.441 1.734 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.922 -2.075 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.879 1.616 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.125 -0.292 0.937 1.00 0.00 H new ATOM 271 N ARG A 19 -2.284 -0.082 1.504 1.00 0.00 N ATOM 272 CA ARG A 19 -3.403 0.744 1.932 1.00 0.00 C ATOM 273 C ARG A 19 -3.824 0.413 3.359 1.00 0.00 C ATOM 274 O ARG A 19 -4.468 1.222 4.027 1.00 0.00 O ATOM 275 CB ARG A 19 -4.582 0.598 0.969 1.00 0.00 C ATOM 276 CG ARG A 19 -4.370 1.318 -0.354 1.00 0.00 C ATOM 277 CD ARG A 19 -4.052 2.790 -0.129 1.00 0.00 C ATOM 278 NE ARG A 19 -5.071 3.448 0.689 1.00 0.00 N ATOM 279 CZ ARG A 19 -4.871 4.555 1.409 1.00 0.00 C ATOM 280 NH1 ARG A 19 -3.688 5.161 1.418 1.00 0.00 N ATOM 281 NH2 ARG A 19 -5.870 5.052 2.123 1.00 0.00 N ATOM 0 H ARG A 19 -2.518 -0.787 0.805 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.075 1.783 1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.755 -0.461 0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.482 0.986 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.555 0.846 -0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.264 1.225 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.081 2.882 0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.976 3.296 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.002 3.031 0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.916 4.781 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.552 6.006 1.973 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.779 4.590 2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.730 5.897 2.677 1.00 0.00 H new ATOM 295 N THR A 20 -3.447 -0.768 3.825 1.00 0.00 N ATOM 296 CA THR A 20 -3.715 -1.166 5.197 1.00 0.00 C ATOM 297 C THR A 20 -2.618 -0.649 6.127 1.00 0.00 C ATOM 298 O THR A 20 -2.762 -0.659 7.346 1.00 0.00 O ATOM 299 CB THR A 20 -3.862 -2.695 5.315 1.00 0.00 C ATOM 300 OG1 THR A 20 -3.006 -3.342 4.367 1.00 0.00 O ATOM 301 CG2 THR A 20 -5.300 -3.120 5.070 1.00 0.00 C ATOM 0 H THR A 20 -2.954 -1.468 3.271 1.00 0.00 H new ATOM 0 HA THR A 20 -4.662 -0.720 5.501 1.00 0.00 H new ATOM 0 HB THR A 20 -3.578 -2.988 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.177 -2.828 4.271 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.379 -4.204 5.159 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.950 -2.647 5.807 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.604 -2.815 4.069 1.00 0.00 H new ATOM 309 N LEU A 21 -1.519 -0.205 5.524 1.00 0.00 N ATOM 310 CA LEU A 21 -0.417 0.408 6.257 1.00 0.00 C ATOM 311 C LEU A 21 -0.687 1.892 6.453 1.00 0.00 C ATOM 312 O LEU A 21 -0.556 2.425 7.553 1.00 0.00 O ATOM 313 CB LEU A 21 0.897 0.240 5.492 1.00 0.00 C ATOM 314 CG LEU A 21 1.440 -1.183 5.400 1.00 0.00 C ATOM 315 CD1 LEU A 21 2.557 -1.240 4.374 1.00 0.00 C ATOM 316 CD2 LEU A 21 1.946 -1.648 6.757 1.00 0.00 C ATOM 0 H LEU A 21 -1.368 -0.260 4.517 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.335 -0.086 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.757 0.620 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.653 0.866 5.966 1.00 0.00 H new ATOM 0 HG LEU A 21 0.635 -1.848 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.942 -2.258 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.172 -0.937 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.360 -0.566 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.330 -2.665 6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.743 -0.986 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.128 -1.627 7.477 1.00 0.00 H new ATOM 328 N ILE A 22 -1.089 2.547 5.366 1.00 0.00 N ATOM 329 CA ILE A 22 -1.392 3.980 5.383 1.00 0.00 C ATOM 330 C ILE A 22 -2.740 4.213 6.053 1.00 0.00 C ATOM 331 O ILE A 22 -3.229 5.339 6.154 1.00 0.00 O ATOM 332 CB ILE A 22 -1.417 4.561 3.945 1.00 0.00 C ATOM 333 CG1 ILE A 22 -0.214 4.052 3.150 1.00 0.00 C ATOM 334 CG2 ILE A 22 -1.416 6.087 3.971 1.00 0.00 C ATOM 335 CD1 ILE A 22 1.103 4.324 3.832 1.00 0.00 C ATOM 0 H ILE A 22 -1.214 2.106 4.455 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.609 4.488 5.946 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.335 4.227 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.319 2.979 2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.211 4.522 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.434 6.468 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.296 6.442 4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.517 6.442 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.917 3.939 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.228 5.398 3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.118 3.832 4.804 1.00 0.00 H new ATOM 347 N LYS A 23 -3.327 3.120 6.513 1.00 0.00 N ATOM 348 CA LYS A 23 -4.610 3.135 7.141 1.00 0.00 C ATOM 349 C LYS A 23 -4.606 3.995 8.404 1.00 0.00 C ATOM 350 O LYS A 23 -5.047 5.146 8.373 1.00 0.00 O ATOM 351 CB LYS A 23 -5.009 1.697 7.458 1.00 0.00 C ATOM 352 CG LYS A 23 -6.397 1.569 8.021 1.00 0.00 C ATOM 353 CD LYS A 23 -6.370 1.010 9.432 1.00 0.00 C ATOM 354 CE LYS A 23 -5.838 -0.415 9.462 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.597 -0.885 10.851 1.00 0.00 N ATOM 0 H LYS A 23 -2.908 2.192 6.453 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.339 3.580 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.938 1.100 6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.297 1.279 8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.882 2.545 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.993 0.918 7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.747 1.644 10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.376 1.032 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.550 -1.079 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.909 -0.468 8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.974 -1.848 10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.575 -0.888 11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.074 -0.248 11.521 1.00 0.00 H new ATOM 369 N SER A 24 -4.129 3.452 9.519 1.00 0.00 N ATOM 370 CA SER A 24 -4.283 4.181 10.778 1.00 0.00 C ATOM 371 C SER A 24 -2.959 4.527 11.456 1.00 0.00 C ATOM 372 O SER A 24 -2.847 5.562 12.119 1.00 0.00 O ATOM 373 CB SER A 24 -5.165 3.378 11.740 1.00 0.00 C ATOM 374 OG SER A 24 -5.551 4.160 12.857 1.00 0.00 O ATOM 0 H SER A 24 -3.653 2.552 9.582 1.00 0.00 H new ATOM 0 HA SER A 24 -4.756 5.130 10.526 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.053 3.026 11.215 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.625 2.495 12.081 1.00 0.00 H new ATOM 0 HG SER A 24 -6.114 3.623 13.453 1.00 0.00 H new ATOM 380 N GLY A 25 -1.958 3.685 11.287 1.00 0.00 N ATOM 381 CA GLY A 25 -0.702 3.906 11.985 1.00 0.00 C ATOM 382 C GLY A 25 0.393 2.967 11.543 1.00 0.00 C ATOM 383 O GLY A 25 1.573 3.241 11.754 1.00 0.00 O ATOM 0 H GLY A 25 -1.984 2.860 10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.379 4.934 11.822 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.863 3.788 13.057 1.00 0.00 H new ATOM 387 N GLU A 26 -0.022 1.851 10.953 1.00 0.00 N ATOM 388 CA GLU A 26 0.869 0.780 10.532 1.00 0.00 C ATOM 389 C GLU A 26 2.091 1.340 9.809 1.00 0.00 C ATOM 390 O GLU A 26 3.227 0.934 10.066 1.00 0.00 O ATOM 391 CB GLU A 26 0.101 -0.189 9.619 1.00 0.00 C ATOM 392 CG GLU A 26 -1.091 -0.889 10.282 1.00 0.00 C ATOM 393 CD GLU A 26 -2.254 0.036 10.646 1.00 0.00 C ATOM 394 OE1 GLU A 26 -2.382 1.133 10.052 1.00 0.00 O ATOM 395 OE2 GLU A 26 -3.044 -0.329 11.544 1.00 0.00 O ATOM 0 H GLU A 26 -1.004 1.664 10.751 1.00 0.00 H new ATOM 0 HA GLU A 26 1.222 0.245 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.257 0.361 8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.793 -0.948 9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.458 -1.665 9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.744 -1.388 11.187 1.00 0.00 H new ATOM 402 N LEU A 27 1.841 2.272 8.907 1.00 0.00 N ATOM 403 CA LEU A 27 2.892 3.036 8.270 1.00 0.00 C ATOM 404 C LEU A 27 2.483 4.506 8.289 1.00 0.00 C ATOM 405 O LEU A 27 1.781 4.981 7.396 1.00 0.00 O ATOM 406 CB LEU A 27 3.126 2.533 6.841 1.00 0.00 C ATOM 407 CG LEU A 27 4.386 3.054 6.149 1.00 0.00 C ATOM 408 CD1 LEU A 27 5.624 2.707 6.963 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.493 2.472 4.746 1.00 0.00 C ATOM 0 H LEU A 27 0.901 2.519 8.597 1.00 0.00 H new ATOM 0 HA LEU A 27 3.833 2.916 8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.170 1.444 6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.262 2.805 6.234 1.00 0.00 H new ATOM 0 HG LEU A 27 4.318 4.139 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.511 3.086 6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.549 3.162 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.700 1.625 7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.394 2.850 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.542 1.385 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.619 2.764 4.163 1.00 0.00 H new ATOM 421 N ALA A 28 2.888 5.201 9.342 1.00 0.00 N ATOM 422 CA ALA A 28 2.401 6.547 9.618 1.00 0.00 C ATOM 423 C ALA A 28 2.993 7.581 8.664 1.00 0.00 C ATOM 424 O ALA A 28 4.105 7.414 8.158 1.00 0.00 O ATOM 425 CB ALA A 28 2.710 6.920 11.061 1.00 0.00 C ATOM 0 H ALA A 28 3.559 4.852 10.026 1.00 0.00 H new ATOM 0 HA ALA A 28 1.322 6.548 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.344 7.927 11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.220 6.215 11.732 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.787 6.886 11.223 1.00 0.00 H new ATOM 431 N PRO A 29 2.253 8.678 8.419 1.00 0.00 N ATOM 432 CA PRO A 29 2.714 9.775 7.577 1.00 0.00 C ATOM 433 C PRO A 29 3.717 10.651 8.314 1.00 0.00 C ATOM 434 O PRO A 29 3.475 11.092 9.439 1.00 0.00 O ATOM 435 CB PRO A 29 1.432 10.568 7.259 1.00 0.00 C ATOM 436 CG PRO A 29 0.306 9.751 7.805 1.00 0.00 C ATOM 437 CD PRO A 29 0.893 8.919 8.906 1.00 0.00 C ATOM 0 HA PRO A 29 3.226 9.422 6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.458 11.556 7.719 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.321 10.719 6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.492 10.390 8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.130 9.121 7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.889 9.445 9.860 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.342 7.990 9.052 1.00 0.00 H new ATOM 445 N GLY A 30 4.842 10.892 7.669 1.00 0.00 N ATOM 446 CA GLY A 30 5.943 11.572 8.306 1.00 0.00 C ATOM 447 C GLY A 30 7.138 10.654 8.425 1.00 0.00 C ATOM 448 O GLY A 30 8.264 11.094 8.667 1.00 0.00 O ATOM 0 H GLY A 30 5.014 10.624 6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.213 12.457 7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.642 11.916 9.296 1.00 0.00 H new ATOM 452 N ASP A 31 6.880 9.365 8.243 1.00 0.00 N ATOM 453 CA ASP A 31 7.922 8.351 8.295 1.00 0.00 C ATOM 454 C ASP A 31 8.404 8.055 6.881 1.00 0.00 C ATOM 455 O ASP A 31 7.726 8.388 5.912 1.00 0.00 O ATOM 456 CB ASP A 31 7.390 7.070 8.946 1.00 0.00 C ATOM 457 CG ASP A 31 8.485 6.247 9.592 1.00 0.00 C ATOM 458 OD1 ASP A 31 9.328 5.674 8.870 1.00 0.00 O ATOM 459 OD2 ASP A 31 8.509 6.175 10.837 1.00 0.00 O ATOM 0 H ASP A 31 5.948 8.996 8.056 1.00 0.00 H new ATOM 0 HA ASP A 31 8.753 8.722 8.895 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.645 7.331 9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.884 6.467 8.192 1.00 0.00 H new ATOM 464 N THR A 32 9.567 7.449 6.761 1.00 0.00 N ATOM 465 CA THR A 32 10.130 7.125 5.462 1.00 0.00 C ATOM 466 C THR A 32 9.530 5.833 4.922 1.00 0.00 C ATOM 467 O THR A 32 8.966 5.041 5.681 1.00 0.00 O ATOM 468 CB THR A 32 11.653 6.961 5.566 1.00 0.00 C ATOM 469 OG1 THR A 32 11.962 6.068 6.643 1.00 0.00 O ATOM 470 CG2 THR A 32 12.334 8.303 5.797 1.00 0.00 C ATOM 0 H THR A 32 10.146 7.168 7.552 1.00 0.00 H new ATOM 0 HA THR A 32 9.895 7.944 4.782 1.00 0.00 H new ATOM 0 HB THR A 32 12.023 6.551 4.626 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.934 5.960 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.412 8.157 5.867 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.112 8.972 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.967 8.743 6.724 1.00 0.00 H new ATOM 478 N LEU A 33 9.641 5.619 3.616 1.00 0.00 N ATOM 479 CA LEU A 33 9.242 4.347 3.038 1.00 0.00 C ATOM 480 C LEU A 33 10.169 3.252 3.537 1.00 0.00 C ATOM 481 O LEU A 33 11.379 3.457 3.647 1.00 0.00 O ATOM 482 CB LEU A 33 9.275 4.375 1.504 1.00 0.00 C ATOM 483 CG LEU A 33 8.277 5.312 0.819 1.00 0.00 C ATOM 484 CD1 LEU A 33 8.067 4.894 -0.628 1.00 0.00 C ATOM 485 CD2 LEU A 33 6.954 5.339 1.555 1.00 0.00 C ATOM 0 H LEU A 33 9.999 6.301 2.947 1.00 0.00 H new ATOM 0 HA LEU A 33 8.215 4.151 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.280 4.657 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.099 3.363 1.140 1.00 0.00 H new ATOM 0 HG LEU A 33 8.694 6.319 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.355 5.569 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.017 4.936 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.678 3.876 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.267 6.013 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.529 4.336 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.112 5.688 2.576 1.00 0.00 H new ATOM 497 N PRO A 34 9.618 2.082 3.860 1.00 0.00 N ATOM 498 CA PRO A 34 10.412 0.950 4.322 1.00 0.00 C ATOM 499 C PRO A 34 11.126 0.251 3.171 1.00 0.00 C ATOM 500 O PRO A 34 10.720 0.367 2.010 1.00 0.00 O ATOM 501 CB PRO A 34 9.368 0.025 4.948 1.00 0.00 C ATOM 502 CG PRO A 34 8.106 0.325 4.217 1.00 0.00 C ATOM 503 CD PRO A 34 8.174 1.782 3.840 1.00 0.00 C ATOM 0 HA PRO A 34 11.202 1.249 5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.650 -1.022 4.837 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.261 0.215 6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.011 -0.302 3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.237 0.125 4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.741 1.961 2.856 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.626 2.405 4.547 1.00 0.00 H new ATOM 511 N SER A 35 12.195 -0.460 3.493 1.00 0.00 N ATOM 512 CA SER A 35 12.962 -1.170 2.489 1.00 0.00 C ATOM 513 C SER A 35 12.143 -2.336 1.951 1.00 0.00 C ATOM 514 O SER A 35 11.261 -2.848 2.645 1.00 0.00 O ATOM 515 CB SER A 35 14.282 -1.669 3.082 1.00 0.00 C ATOM 516 OG SER A 35 15.127 -2.203 2.076 1.00 0.00 O ATOM 0 H SER A 35 12.549 -0.559 4.444 1.00 0.00 H new ATOM 0 HA SER A 35 13.193 -0.491 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.789 -0.848 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.080 -2.432 3.834 1.00 0.00 H new ATOM 0 HG SER A 35 15.964 -2.513 2.482 1.00 0.00 H new ATOM 522 N VAL A 36 12.454 -2.762 0.726 1.00 0.00 N ATOM 523 CA VAL A 36 11.709 -3.826 0.045 1.00 0.00 C ATOM 524 C VAL A 36 11.633 -5.110 0.875 1.00 0.00 C ATOM 525 O VAL A 36 10.827 -5.990 0.587 1.00 0.00 O ATOM 526 CB VAL A 36 12.318 -4.148 -1.339 1.00 0.00 C ATOM 527 CG1 VAL A 36 12.190 -2.952 -2.269 1.00 0.00 C ATOM 528 CG2 VAL A 36 13.776 -4.569 -1.214 1.00 0.00 C ATOM 0 H VAL A 36 13.226 -2.382 0.178 1.00 0.00 H new ATOM 0 HA VAL A 36 10.697 -3.444 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 36 11.761 -4.983 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.624 -3.197 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.137 -2.701 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.717 -2.100 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.177 -4.789 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.350 -3.761 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.845 -5.459 -0.588 1.00 0.00 H new ATOM 538 N ALA A 37 12.472 -5.210 1.902 1.00 0.00 N ATOM 539 CA ALA A 37 12.455 -6.354 2.805 1.00 0.00 C ATOM 540 C ALA A 37 11.117 -6.468 3.536 1.00 0.00 C ATOM 541 O ALA A 37 10.513 -7.541 3.574 1.00 0.00 O ATOM 542 CB ALA A 37 13.594 -6.254 3.809 1.00 0.00 C ATOM 0 H ALA A 37 13.176 -4.508 2.129 1.00 0.00 H new ATOM 0 HA ALA A 37 12.588 -7.254 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.568 -7.116 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 37 14.546 -6.235 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.485 -5.340 4.393 1.00 0.00 H new ATOM 548 N ASP A 38 10.649 -5.350 4.094 1.00 0.00 N ATOM 549 CA ASP A 38 9.418 -5.344 4.885 1.00 0.00 C ATOM 550 C ASP A 38 8.212 -5.638 4.011 1.00 0.00 C ATOM 551 O ASP A 38 7.297 -6.354 4.422 1.00 0.00 O ATOM 552 CB ASP A 38 9.212 -4.001 5.599 1.00 0.00 C ATOM 553 CG ASP A 38 10.349 -3.658 6.543 1.00 0.00 C ATOM 554 OD1 ASP A 38 11.391 -3.156 6.078 1.00 0.00 O ATOM 555 OD2 ASP A 38 10.202 -3.885 7.762 1.00 0.00 O ATOM 0 H ASP A 38 11.102 -4.440 4.013 1.00 0.00 H new ATOM 0 HA ASP A 38 9.519 -6.126 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.112 -3.211 4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.277 -4.032 6.159 1.00 0.00 H new ATOM 560 N ILE A 39 8.215 -5.084 2.807 1.00 0.00 N ATOM 561 CA ILE A 39 7.132 -5.309 1.865 1.00 0.00 C ATOM 562 C ILE A 39 7.114 -6.772 1.434 1.00 0.00 C ATOM 563 O ILE A 39 6.134 -7.474 1.639 1.00 0.00 O ATOM 564 CB ILE A 39 7.250 -4.424 0.593 1.00 0.00 C ATOM 565 CG1 ILE A 39 7.265 -2.931 0.921 1.00 0.00 C ATOM 566 CG2 ILE A 39 6.105 -4.706 -0.365 1.00 0.00 C ATOM 567 CD1 ILE A 39 8.610 -2.406 1.353 1.00 0.00 C ATOM 0 H ILE A 39 8.957 -4.475 2.461 1.00 0.00 H new ATOM 0 HA ILE A 39 6.210 -5.041 2.381 1.00 0.00 H new ATOM 0 HB ILE A 39 8.201 -4.681 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.935 -2.375 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.541 -2.737 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.206 -4.076 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.129 -5.754 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.157 -4.490 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.533 -1.340 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.935 -2.933 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.336 -2.565 0.555 1.00 0.00 H new ATOM 579 N ARG A 40 8.242 -7.222 0.892 1.00 0.00 N ATOM 580 CA ARG A 40 8.356 -8.528 0.239 1.00 0.00 C ATOM 581 C ARG A 40 8.100 -9.711 1.183 1.00 0.00 C ATOM 582 O ARG A 40 7.607 -10.754 0.752 1.00 0.00 O ATOM 583 CB ARG A 40 9.751 -8.634 -0.392 1.00 0.00 C ATOM 584 CG ARG A 40 10.142 -10.024 -0.854 1.00 0.00 C ATOM 585 CD ARG A 40 11.464 -10.002 -1.602 1.00 0.00 C ATOM 586 NE ARG A 40 12.505 -9.255 -0.881 1.00 0.00 N ATOM 587 CZ ARG A 40 13.774 -9.661 -0.777 1.00 0.00 C ATOM 588 NH1 ARG A 40 14.137 -10.830 -1.278 1.00 0.00 N ATOM 589 NH2 ARG A 40 14.678 -8.906 -0.160 1.00 0.00 N ATOM 0 H ARG A 40 9.111 -6.688 0.892 1.00 0.00 H new ATOM 0 HA ARG A 40 7.578 -8.589 -0.522 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.800 -7.957 -1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.488 -8.288 0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.219 -10.688 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.362 -10.428 -1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.803 -11.025 -1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.315 -9.555 -2.585 1.00 0.00 H new ATOM 0 HE ARG A 40 12.244 -8.376 -0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.448 -11.421 -1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.105 -11.140 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.405 -8.008 0.239 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.644 -9.225 -0.086 1.00 0.00 H new ATOM 603 N ALA A 41 8.432 -9.564 2.457 1.00 0.00 N ATOM 604 CA ALA A 41 8.301 -10.677 3.393 1.00 0.00 C ATOM 605 C ALA A 41 6.885 -10.799 3.938 1.00 0.00 C ATOM 606 O ALA A 41 6.351 -11.903 4.062 1.00 0.00 O ATOM 607 CB ALA A 41 9.297 -10.537 4.533 1.00 0.00 C ATOM 0 H ALA A 41 8.789 -8.700 2.865 1.00 0.00 H new ATOM 0 HA ALA A 41 8.520 -11.591 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.184 -11.376 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.311 -10.531 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.112 -9.604 5.066 1.00 0.00 H new ATOM 613 N GLN A 42 6.280 -9.667 4.261 1.00 0.00 N ATOM 614 CA GLN A 42 4.934 -9.659 4.810 1.00 0.00 C ATOM 615 C GLN A 42 3.925 -9.777 3.683 1.00 0.00 C ATOM 616 O GLN A 42 3.013 -10.607 3.721 1.00 0.00 O ATOM 617 CB GLN A 42 4.697 -8.372 5.590 1.00 0.00 C ATOM 618 CG GLN A 42 5.683 -8.165 6.727 1.00 0.00 C ATOM 619 CD GLN A 42 5.465 -6.857 7.456 1.00 0.00 C ATOM 620 OE1 GLN A 42 4.732 -6.791 8.443 1.00 0.00 O ATOM 621 NE2 GLN A 42 6.095 -5.804 6.967 1.00 0.00 N ATOM 0 H GLN A 42 6.699 -8.743 4.153 1.00 0.00 H new ATOM 0 HA GLN A 42 4.817 -10.506 5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.759 -7.525 4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.685 -8.382 5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.595 -8.990 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.698 -8.191 6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.693 -5.903 6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.983 -4.892 7.410 1.00 0.00 H new ATOM 630 N PHE A 43 4.100 -8.926 2.691 1.00 0.00 N ATOM 631 CA PHE A 43 3.293 -8.958 1.494 1.00 0.00 C ATOM 632 C PHE A 43 3.994 -9.834 0.467 1.00 0.00 C ATOM 633 O PHE A 43 4.984 -9.414 -0.120 1.00 0.00 O ATOM 634 CB PHE A 43 3.099 -7.536 0.957 1.00 0.00 C ATOM 635 CG PHE A 43 2.843 -6.522 2.038 1.00 0.00 C ATOM 636 CD1 PHE A 43 1.880 -6.742 3.008 1.00 0.00 C ATOM 637 CD2 PHE A 43 3.576 -5.351 2.085 1.00 0.00 C ATOM 638 CE1 PHE A 43 1.651 -5.813 4.003 1.00 0.00 C ATOM 639 CE2 PHE A 43 3.352 -4.417 3.076 1.00 0.00 C ATOM 640 CZ PHE A 43 2.390 -4.650 4.037 1.00 0.00 C ATOM 0 H PHE A 43 4.809 -8.192 2.696 1.00 0.00 H new ATOM 0 HA PHE A 43 2.308 -9.371 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.986 -7.243 0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.263 -7.530 0.257 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.300 -7.653 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.333 -5.165 1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.895 -5.997 4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.929 -3.505 3.099 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.216 -3.922 4.815 1.00 0.00 H new ATOM 650 N GLY A 44 3.517 -11.065 0.316 1.00 0.00 N ATOM 651 CA GLY A 44 4.142 -12.025 -0.579 1.00 0.00 C ATOM 652 C GLY A 44 4.343 -11.507 -1.992 1.00 0.00 C ATOM 653 O GLY A 44 3.460 -11.636 -2.844 1.00 0.00 O ATOM 0 H GLY A 44 2.696 -11.420 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.109 -12.315 -0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.529 -12.925 -0.616 1.00 0.00 H new ATOM 657 N VAL A 45 5.517 -10.939 -2.234 1.00 0.00 N ATOM 658 CA VAL A 45 5.893 -10.419 -3.541 1.00 0.00 C ATOM 659 C VAL A 45 7.390 -10.600 -3.755 1.00 0.00 C ATOM 660 O VAL A 45 8.087 -11.116 -2.884 1.00 0.00 O ATOM 661 CB VAL A 45 5.557 -8.917 -3.702 1.00 0.00 C ATOM 662 CG1 VAL A 45 4.059 -8.681 -3.745 1.00 0.00 C ATOM 663 CG2 VAL A 45 6.186 -8.097 -2.588 1.00 0.00 C ATOM 0 H VAL A 45 6.240 -10.826 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 45 5.319 -10.978 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 45 5.977 -8.593 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.862 -7.615 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.630 -9.222 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.608 -9.037 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.935 -7.045 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.806 -8.439 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.269 -8.218 -2.614 1.00 0.00 H new ATOM 673 N ALA A 46 7.878 -10.198 -4.918 1.00 0.00 N ATOM 674 CA ALA A 46 9.308 -10.181 -5.170 1.00 0.00 C ATOM 675 C ALA A 46 9.863 -8.800 -4.845 1.00 0.00 C ATOM 676 O ALA A 46 9.130 -7.925 -4.379 1.00 0.00 O ATOM 677 CB ALA A 46 9.605 -10.562 -6.613 1.00 0.00 C ATOM 0 H ALA A 46 7.305 -9.880 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 46 9.794 -10.917 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.682 -10.543 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.225 -11.564 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.121 -9.852 -7.284 1.00 0.00 H new ATOM 683 N ALA A 47 11.139 -8.586 -5.118 1.00 0.00 N ATOM 684 CA ALA A 47 11.771 -7.322 -4.774 1.00 0.00 C ATOM 685 C ALA A 47 11.372 -6.234 -5.763 1.00 0.00 C ATOM 686 O ALA A 47 11.165 -5.081 -5.384 1.00 0.00 O ATOM 687 CB ALA A 47 13.284 -7.482 -4.737 1.00 0.00 C ATOM 0 H ALA A 47 11.753 -9.262 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 47 11.429 -7.023 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.744 -6.529 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.553 -8.229 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.640 -7.803 -5.716 1.00 0.00 H new ATOM 693 N LYS A 48 11.230 -6.610 -7.025 1.00 0.00 N ATOM 694 CA LYS A 48 10.836 -5.661 -8.056 1.00 0.00 C ATOM 695 C LYS A 48 9.320 -5.500 -8.098 1.00 0.00 C ATOM 696 O LYS A 48 8.809 -4.550 -8.685 1.00 0.00 O ATOM 697 CB LYS A 48 11.372 -6.097 -9.422 1.00 0.00 C ATOM 698 CG LYS A 48 10.894 -7.469 -9.868 1.00 0.00 C ATOM 699 CD LYS A 48 11.544 -7.877 -11.179 1.00 0.00 C ATOM 700 CE LYS A 48 11.212 -6.900 -12.297 1.00 0.00 C ATOM 701 NZ LYS A 48 11.977 -7.193 -13.535 1.00 0.00 N ATOM 0 H LYS A 48 11.381 -7.562 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 48 11.271 -4.692 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.075 -5.360 -10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.462 -6.097 -9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.126 -8.206 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.810 -7.460 -9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.625 -7.928 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.208 -8.876 -11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.144 -6.943 -12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.430 -5.884 -11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.722 -6.505 -14.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.996 -7.127 -13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.750 -8.153 -13.864 1.00 0.00 H new ATOM 715 N THR A 49 8.605 -6.421 -7.463 1.00 0.00 N ATOM 716 CA THR A 49 7.156 -6.333 -7.379 1.00 0.00 C ATOM 717 C THR A 49 6.759 -5.154 -6.490 1.00 0.00 C ATOM 718 O THR A 49 5.813 -4.422 -6.787 1.00 0.00 O ATOM 719 CB THR A 49 6.553 -7.633 -6.816 1.00 0.00 C ATOM 720 OG1 THR A 49 7.171 -8.763 -7.449 1.00 0.00 O ATOM 721 CG2 THR A 49 5.052 -7.685 -7.045 1.00 0.00 C ATOM 0 H THR A 49 9.007 -7.236 -7.000 1.00 0.00 H new ATOM 0 HA THR A 49 6.765 -6.182 -8.385 1.00 0.00 H new ATOM 0 HB THR A 49 6.739 -7.658 -5.742 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.534 -9.507 -7.485 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.654 -8.614 -6.637 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.579 -6.838 -6.548 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.845 -7.640 -8.114 1.00 0.00 H new ATOM 729 N VAL A 50 7.513 -4.972 -5.409 1.00 0.00 N ATOM 730 CA VAL A 50 7.340 -3.836 -4.518 1.00 0.00 C ATOM 731 C VAL A 50 7.490 -2.532 -5.289 1.00 0.00 C ATOM 732 O VAL A 50 6.582 -1.700 -5.332 1.00 0.00 O ATOM 733 CB VAL A 50 8.408 -3.863 -3.409 1.00 0.00 C ATOM 734 CG1 VAL A 50 8.211 -2.715 -2.435 1.00 0.00 C ATOM 735 CG2 VAL A 50 8.415 -5.203 -2.692 1.00 0.00 C ATOM 0 H VAL A 50 8.259 -5.609 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 50 6.343 -3.899 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 50 9.384 -3.734 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.978 -2.758 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.286 -1.768 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.227 -2.794 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.178 -5.195 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.439 -5.379 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.633 -5.997 -3.406 1.00 0.00 H new ATOM 745 N SER A 51 8.656 -2.387 -5.906 1.00 0.00 N ATOM 746 CA SER A 51 9.019 -1.194 -6.664 1.00 0.00 C ATOM 747 C SER A 51 8.050 -0.924 -7.819 1.00 0.00 C ATOM 748 O SER A 51 7.991 0.194 -8.336 1.00 0.00 O ATOM 749 CB SER A 51 10.451 -1.338 -7.195 1.00 0.00 C ATOM 750 OG SER A 51 10.901 -0.147 -7.823 1.00 0.00 O ATOM 0 H SER A 51 9.384 -3.101 -5.895 1.00 0.00 H new ATOM 0 HA SER A 51 8.959 -0.340 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.120 -1.591 -6.373 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.494 -2.163 -7.906 1.00 0.00 H new ATOM 0 HG SER A 51 11.817 -0.274 -8.148 1.00 0.00 H new ATOM 756 N ARG A 52 7.274 -1.926 -8.206 1.00 0.00 N ATOM 757 CA ARG A 52 6.370 -1.777 -9.337 1.00 0.00 C ATOM 758 C ARG A 52 5.104 -1.034 -8.912 1.00 0.00 C ATOM 759 O ARG A 52 4.651 -0.116 -9.600 1.00 0.00 O ATOM 760 CB ARG A 52 6.021 -3.143 -9.939 1.00 0.00 C ATOM 761 CG ARG A 52 5.282 -3.049 -11.268 1.00 0.00 C ATOM 762 CD ARG A 52 5.012 -4.422 -11.867 1.00 0.00 C ATOM 763 NE ARG A 52 4.350 -4.327 -13.167 1.00 0.00 N ATOM 764 CZ ARG A 52 3.852 -5.367 -13.840 1.00 0.00 C ATOM 765 NH1 ARG A 52 3.884 -6.588 -13.317 1.00 0.00 N ATOM 766 NH2 ARG A 52 3.308 -5.173 -15.034 1.00 0.00 N ATOM 0 H ARG A 52 7.252 -2.842 -7.759 1.00 0.00 H new ATOM 0 HA ARG A 52 6.874 -1.189 -10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.939 -3.714 -10.082 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.408 -3.698 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.338 -2.525 -11.122 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.870 -2.457 -11.969 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.953 -4.962 -11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.390 -5.001 -11.184 1.00 0.00 H new ATOM 0 HE ARG A 52 4.263 -3.402 -13.589 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.291 -6.737 -12.394 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.501 -7.376 -13.839 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.272 -4.234 -15.432 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.925 -5.962 -15.554 1.00 0.00 H new ATOM 780 N ALA A 53 4.550 -1.411 -7.765 1.00 0.00 N ATOM 781 CA ALA A 53 3.332 -0.781 -7.269 1.00 0.00 C ATOM 782 C ALA A 53 3.611 0.553 -6.602 1.00 0.00 C ATOM 783 O ALA A 53 2.687 1.324 -6.366 1.00 0.00 O ATOM 784 CB ALA A 53 2.611 -1.686 -6.300 1.00 0.00 C ATOM 0 H ALA A 53 4.923 -2.146 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 53 2.698 -0.602 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.706 -1.192 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.344 -2.616 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.261 -1.904 -5.453 1.00 0.00 H new ATOM 790 N LEU A 54 4.873 0.816 -6.269 1.00 0.00 N ATOM 791 CA LEU A 54 5.265 2.118 -5.737 1.00 0.00 C ATOM 792 C LEU A 54 4.712 3.262 -6.594 1.00 0.00 C ATOM 793 O LEU A 54 4.364 4.324 -6.077 1.00 0.00 O ATOM 794 CB LEU A 54 6.787 2.225 -5.665 1.00 0.00 C ATOM 795 CG LEU A 54 7.485 1.262 -4.703 1.00 0.00 C ATOM 796 CD1 LEU A 54 8.980 1.539 -4.675 1.00 0.00 C ATOM 797 CD2 LEU A 54 6.903 1.372 -3.307 1.00 0.00 C ATOM 0 H LEU A 54 5.638 0.148 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 54 4.845 2.204 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.190 2.063 -6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.046 3.244 -5.378 1.00 0.00 H new ATOM 0 HG LEU A 54 7.321 0.245 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.465 0.847 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.393 1.406 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.154 2.563 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.417 0.677 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.032 2.389 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.841 1.129 -3.335 1.00 0.00 H new ATOM 809 N ALA A 55 4.621 3.032 -7.903 1.00 0.00 N ATOM 810 CA ALA A 55 4.065 4.020 -8.822 1.00 0.00 C ATOM 811 C ALA A 55 2.589 4.277 -8.521 1.00 0.00 C ATOM 812 O ALA A 55 2.116 5.411 -8.582 1.00 0.00 O ATOM 813 CB ALA A 55 4.247 3.561 -10.260 1.00 0.00 C ATOM 0 H ALA A 55 4.926 2.168 -8.350 1.00 0.00 H new ATOM 0 HA ALA A 55 4.603 4.958 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.828 4.307 -10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.309 3.437 -10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.734 2.610 -10.406 1.00 0.00 H new ATOM 819 N VAL A 56 1.874 3.219 -8.170 1.00 0.00 N ATOM 820 CA VAL A 56 0.467 3.318 -7.818 1.00 0.00 C ATOM 821 C VAL A 56 0.317 3.969 -6.447 1.00 0.00 C ATOM 822 O VAL A 56 -0.667 4.648 -6.164 1.00 0.00 O ATOM 823 CB VAL A 56 -0.186 1.917 -7.805 1.00 0.00 C ATOM 824 CG1 VAL A 56 -1.638 1.986 -7.362 1.00 0.00 C ATOM 825 CG2 VAL A 56 -0.075 1.265 -9.173 1.00 0.00 C ATOM 0 H VAL A 56 2.251 2.272 -8.121 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.035 3.933 -8.565 1.00 0.00 H new ATOM 0 HB VAL A 56 0.353 1.305 -7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.067 0.984 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.692 2.402 -6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.198 2.622 -8.048 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.540 0.280 -9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.581 1.884 -9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.976 1.163 -9.443 1.00 0.00 H new ATOM 835 N LEU A 57 1.330 3.786 -5.612 1.00 0.00 N ATOM 836 CA LEU A 57 1.300 4.286 -4.248 1.00 0.00 C ATOM 837 C LEU A 57 1.470 5.797 -4.210 1.00 0.00 C ATOM 838 O LEU A 57 1.184 6.430 -3.206 1.00 0.00 O ATOM 839 CB LEU A 57 2.382 3.612 -3.405 1.00 0.00 C ATOM 840 CG LEU A 57 2.291 2.089 -3.328 1.00 0.00 C ATOM 841 CD1 LEU A 57 3.354 1.546 -2.396 1.00 0.00 C ATOM 842 CD2 LEU A 57 0.907 1.652 -2.874 1.00 0.00 C ATOM 0 H LEU A 57 2.187 3.292 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 57 0.324 4.044 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.357 3.882 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.335 4.015 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 57 2.463 1.684 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.278 0.460 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.340 1.825 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.210 1.962 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.866 0.564 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.700 2.066 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.161 2.013 -3.582 1.00 0.00 H new ATOM 854 N LYS A 58 1.926 6.373 -5.307 1.00 0.00 N ATOM 855 CA LYS A 58 2.065 7.818 -5.390 1.00 0.00 C ATOM 856 C LYS A 58 0.692 8.477 -5.348 1.00 0.00 C ATOM 857 O LYS A 58 0.456 9.418 -4.589 1.00 0.00 O ATOM 858 CB LYS A 58 2.801 8.208 -6.670 1.00 0.00 C ATOM 859 CG LYS A 58 4.178 7.577 -6.789 1.00 0.00 C ATOM 860 CD LYS A 58 4.891 7.995 -8.074 1.00 0.00 C ATOM 861 CE LYS A 58 4.101 7.606 -9.314 1.00 0.00 C ATOM 862 NZ LYS A 58 4.826 7.940 -10.570 1.00 0.00 N ATOM 0 H LYS A 58 2.205 5.868 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 58 2.648 8.164 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.199 7.915 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.902 9.293 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.783 7.863 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.083 6.491 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.048 9.074 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.876 7.530 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.894 6.536 -9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.139 8.118 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.250 7.657 -11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.002 8.964 -10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.733 7.432 -10.593 1.00 0.00 H new ATOM 876 N SER A 59 -0.212 7.961 -6.161 1.00 0.00 N ATOM 877 CA SER A 59 -1.564 8.478 -6.239 1.00 0.00 C ATOM 878 C SER A 59 -2.492 7.771 -5.264 1.00 0.00 C ATOM 879 O SER A 59 -3.148 8.402 -4.439 1.00 0.00 O ATOM 880 CB SER A 59 -2.083 8.299 -7.660 1.00 0.00 C ATOM 881 OG SER A 59 -1.659 7.051 -8.188 1.00 0.00 O ATOM 0 H SER A 59 -0.029 7.174 -6.784 1.00 0.00 H new ATOM 0 HA SER A 59 -1.543 9.534 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.172 8.353 -7.666 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.721 9.110 -8.291 1.00 0.00 H new ATOM 0 HG SER A 59 -2.001 6.949 -9.101 1.00 0.00 H new ATOM 887 N GLU A 60 -2.532 6.455 -5.367 1.00 0.00 N ATOM 888 CA GLU A 60 -3.518 5.653 -4.663 1.00 0.00 C ATOM 889 C GLU A 60 -3.014 5.197 -3.297 1.00 0.00 C ATOM 890 O GLU A 60 -3.797 5.052 -2.357 1.00 0.00 O ATOM 891 CB GLU A 60 -3.906 4.459 -5.533 1.00 0.00 C ATOM 892 CG GLU A 60 -4.317 4.875 -6.937 1.00 0.00 C ATOM 893 CD GLU A 60 -5.081 3.804 -7.680 1.00 0.00 C ATOM 894 OE1 GLU A 60 -6.306 3.698 -7.474 1.00 0.00 O ATOM 895 OE2 GLU A 60 -4.471 3.081 -8.491 1.00 0.00 O ATOM 0 H GLU A 60 -1.884 5.913 -5.939 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.398 6.269 -4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.065 3.768 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.728 3.921 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.931 5.774 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.425 5.136 -7.506 1.00 0.00 H new ATOM 902 N GLY A 61 -1.710 4.983 -3.184 1.00 0.00 N ATOM 903 CA GLY A 61 -1.142 4.549 -1.917 1.00 0.00 C ATOM 904 C GLY A 61 -0.992 5.694 -0.937 1.00 0.00 C ATOM 905 O GLY A 61 -1.067 5.489 0.274 1.00 0.00 O ATOM 0 H GLY A 61 -1.036 5.101 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.778 3.779 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.167 4.094 -2.094 1.00 0.00 H new ATOM 909 N LEU A 62 -0.790 6.894 -1.485 1.00 0.00 N ATOM 910 CA LEU A 62 -0.640 8.133 -0.719 1.00 0.00 C ATOM 911 C LEU A 62 0.730 8.216 -0.060 1.00 0.00 C ATOM 912 O LEU A 62 0.887 7.925 1.125 1.00 0.00 O ATOM 913 CB LEU A 62 -1.753 8.305 0.324 1.00 0.00 C ATOM 914 CG LEU A 62 -3.176 8.161 -0.221 1.00 0.00 C ATOM 915 CD1 LEU A 62 -4.192 8.582 0.827 1.00 0.00 C ATOM 916 CD2 LEU A 62 -3.350 8.969 -1.502 1.00 0.00 C ATOM 0 H LEU A 62 -0.725 7.034 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.727 8.954 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.606 7.569 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.653 9.289 0.782 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.347 7.111 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.198 8.473 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.086 7.952 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.022 9.623 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.369 8.851 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.158 10.022 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.648 8.612 -2.256 1.00 0.00 H new ATOM 928 N VAL A 63 1.724 8.605 -0.855 1.00 0.00 N ATOM 929 CA VAL A 63 3.090 8.782 -0.375 1.00 0.00 C ATOM 930 C VAL A 63 3.741 9.935 -1.131 1.00 0.00 C ATOM 931 O VAL A 63 3.161 10.462 -2.080 1.00 0.00 O ATOM 932 CB VAL A 63 3.964 7.516 -0.564 1.00 0.00 C ATOM 933 CG1 VAL A 63 3.425 6.337 0.236 1.00 0.00 C ATOM 934 CG2 VAL A 63 4.073 7.160 -2.035 1.00 0.00 C ATOM 0 H VAL A 63 1.604 8.806 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 63 3.029 8.987 0.694 1.00 0.00 H new ATOM 0 HB VAL A 63 4.960 7.742 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.064 5.468 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.413 6.591 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.412 6.107 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.690 6.269 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.079 6.967 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.529 7.989 -2.577 1.00 0.00 H new ATOM 944 N SER A 64 4.934 10.327 -0.720 1.00 0.00 N ATOM 945 CA SER A 64 5.654 11.384 -1.411 1.00 0.00 C ATOM 946 C SER A 64 7.158 11.139 -1.365 1.00 0.00 C ATOM 947 O SER A 64 7.772 11.118 -0.298 1.00 0.00 O ATOM 948 CB SER A 64 5.314 12.746 -0.804 1.00 0.00 C ATOM 949 OG SER A 64 3.941 13.057 -0.978 1.00 0.00 O ATOM 0 H SER A 64 5.423 9.933 0.084 1.00 0.00 H new ATOM 0 HA SER A 64 5.343 11.381 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.557 12.744 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.926 13.518 -1.270 1.00 0.00 H new ATOM 0 HG SER A 64 3.810 14.023 -0.881 1.00 0.00 H new ATOM 955 N SER A 65 7.744 10.935 -2.531 1.00 0.00 N ATOM 956 CA SER A 65 9.174 10.713 -2.633 1.00 0.00 C ATOM 957 C SER A 65 9.904 12.049 -2.670 1.00 0.00 C ATOM 958 O SER A 65 9.874 12.760 -3.675 1.00 0.00 O ATOM 959 CB SER A 65 9.494 9.891 -3.887 1.00 0.00 C ATOM 960 OG SER A 65 10.882 9.621 -3.987 1.00 0.00 O ATOM 0 H SER A 65 7.249 10.919 -3.423 1.00 0.00 H new ATOM 0 HA SER A 65 9.511 10.154 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.940 8.953 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.162 10.432 -4.773 1.00 0.00 H new ATOM 0 HG SER A 65 11.055 9.094 -4.795 1.00 0.00 H new ATOM 966 N ARG A 66 10.540 12.398 -1.562 1.00 0.00 N ATOM 967 CA ARG A 66 11.294 13.636 -1.477 1.00 0.00 C ATOM 968 C ARG A 66 12.683 13.414 -2.051 1.00 0.00 C ATOM 969 O ARG A 66 13.441 12.590 -1.540 1.00 0.00 O ATOM 970 CB ARG A 66 11.412 14.103 -0.024 1.00 0.00 C ATOM 971 CG ARG A 66 10.122 13.980 0.772 1.00 0.00 C ATOM 972 CD ARG A 66 9.042 14.917 0.257 1.00 0.00 C ATOM 973 NE ARG A 66 9.367 16.320 0.505 1.00 0.00 N ATOM 974 CZ ARG A 66 8.709 17.090 1.372 1.00 0.00 C ATOM 975 NH1 ARG A 66 7.660 16.613 2.034 1.00 0.00 N ATOM 976 NH2 ARG A 66 9.083 18.347 1.561 1.00 0.00 N ATOM 0 H ARG A 66 10.548 11.839 -0.709 1.00 0.00 H new ATOM 0 HA ARG A 66 10.771 14.405 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.190 13.522 0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.736 15.144 -0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.763 12.952 0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.321 14.199 1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.907 14.760 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.094 14.675 0.737 1.00 0.00 H new ATOM 0 HE ARG A 66 10.141 16.734 -0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.354 15.652 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.161 17.208 2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.875 18.727 1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.579 18.935 2.225 1.00 0.00 H new ATOM 990 N GLY A 67 13.022 14.147 -3.100 1.00 0.00 N ATOM 991 CA GLY A 67 14.310 13.965 -3.753 1.00 0.00 C ATOM 992 C GLY A 67 15.463 14.581 -2.980 1.00 0.00 C ATOM 993 O GLY A 67 16.429 15.066 -3.568 1.00 0.00 O ATOM 0 H GLY A 67 12.430 14.867 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.497 12.899 -3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.271 14.406 -4.749 1.00 0.00 H new ATOM 997 N ALA A 68 15.372 14.539 -1.663 1.00 0.00 N ATOM 998 CA ALA A 68 16.386 15.106 -0.793 1.00 0.00 C ATOM 999 C ALA A 68 16.454 14.315 0.506 1.00 0.00 C ATOM 1000 O ALA A 68 17.429 13.611 0.769 1.00 0.00 O ATOM 1001 CB ALA A 68 16.072 16.564 -0.508 1.00 0.00 C ATOM 0 H ALA A 68 14.591 14.110 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 68 17.355 15.050 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.839 16.980 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.052 17.122 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.100 16.638 -0.020 1.00 0.00 H new ATOM 1007 N LEU A 69 15.396 14.423 1.300 1.00 0.00 N ATOM 1008 CA LEU A 69 15.293 13.685 2.553 1.00 0.00 C ATOM 1009 C LEU A 69 15.105 12.197 2.278 1.00 0.00 C ATOM 1010 O LEU A 69 15.556 11.348 3.045 1.00 0.00 O ATOM 1011 CB LEU A 69 14.119 14.219 3.381 1.00 0.00 C ATOM 1012 CG LEU A 69 13.914 13.550 4.741 1.00 0.00 C ATOM 1013 CD1 LEU A 69 15.072 13.870 5.674 1.00 0.00 C ATOM 1014 CD2 LEU A 69 12.595 13.992 5.351 1.00 0.00 C ATOM 0 H LEU A 69 14.593 15.018 1.097 1.00 0.00 H new ATOM 0 HA LEU A 69 16.216 13.822 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.265 15.287 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.205 14.105 2.798 1.00 0.00 H new ATOM 0 HG LEU A 69 13.883 12.470 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.908 13.385 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 69 16.002 13.506 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.137 14.949 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.462 13.508 6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.600 15.074 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.776 13.711 4.689 1.00 0.00 H new ATOM 1026 N GLY A 70 14.446 11.891 1.171 1.00 0.00 N ATOM 1027 CA GLY A 70 14.184 10.513 0.816 1.00 0.00 C ATOM 1028 C GLY A 70 12.716 10.286 0.552 1.00 0.00 C ATOM 1029 O GLY A 70 11.898 11.175 0.787 1.00 0.00 O ATOM 0 H GLY A 70 14.086 12.578 0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.761 10.247 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.517 9.858 1.621 1.00 0.00 H new ATOM 1033 N THR A 71 12.371 9.110 0.064 1.00 0.00 N ATOM 1034 CA THR A 71 10.989 8.807 -0.222 1.00 0.00 C ATOM 1035 C THR A 71 10.263 8.464 1.080 1.00 0.00 C ATOM 1036 O THR A 71 10.653 7.548 1.810 1.00 0.00 O ATOM 1037 CB THR A 71 10.861 7.670 -1.267 1.00 0.00 C ATOM 1038 OG1 THR A 71 9.487 7.442 -1.590 1.00 0.00 O ATOM 1039 CG2 THR A 71 11.505 6.376 -0.782 1.00 0.00 C ATOM 0 H THR A 71 13.026 8.356 -0.140 1.00 0.00 H new ATOM 0 HA THR A 71 10.519 9.686 -0.663 1.00 0.00 H new ATOM 0 HB THR A 71 11.394 7.991 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.428 6.841 -2.362 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.393 5.605 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.565 6.546 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.019 6.050 0.138 1.00 0.00 H new ATOM 1047 N VAL A 72 9.231 9.233 1.393 1.00 0.00 N ATOM 1048 CA VAL A 72 8.570 9.113 2.679 1.00 0.00 C ATOM 1049 C VAL A 72 7.071 8.894 2.515 1.00 0.00 C ATOM 1050 O VAL A 72 6.525 8.998 1.413 1.00 0.00 O ATOM 1051 CB VAL A 72 8.803 10.366 3.557 1.00 0.00 C ATOM 1052 CG1 VAL A 72 10.284 10.578 3.832 1.00 0.00 C ATOM 1053 CG2 VAL A 72 8.202 11.602 2.909 1.00 0.00 C ATOM 0 H VAL A 72 8.836 9.943 0.776 1.00 0.00 H new ATOM 0 HA VAL A 72 9.008 8.246 3.173 1.00 0.00 H new ATOM 0 HB VAL A 72 8.302 10.198 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.416 11.466 4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.685 9.709 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.814 10.712 2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.379 12.469 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.666 11.765 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.129 11.460 2.780 1.00 0.00 H new ATOM 1063 N VAL A 73 6.419 8.584 3.621 1.00 0.00 N ATOM 1064 CA VAL A 73 4.981 8.414 3.651 1.00 0.00 C ATOM 1065 C VAL A 73 4.334 9.725 4.052 1.00 0.00 C ATOM 1066 O VAL A 73 4.618 10.255 5.123 1.00 0.00 O ATOM 1067 CB VAL A 73 4.561 7.332 4.666 1.00 0.00 C ATOM 1068 CG1 VAL A 73 3.069 7.062 4.572 1.00 0.00 C ATOM 1069 CG2 VAL A 73 5.358 6.053 4.466 1.00 0.00 C ATOM 0 H VAL A 73 6.873 8.443 4.523 1.00 0.00 H new ATOM 0 HA VAL A 73 4.657 8.105 2.657 1.00 0.00 H new ATOM 0 HB VAL A 73 4.779 7.705 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.792 6.296 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.519 7.979 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.824 6.718 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.040 5.308 5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.187 5.671 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.420 6.261 4.599 1.00 0.00 H new ATOM 1079 N GLU A 74 3.490 10.265 3.199 1.00 0.00 N ATOM 1080 CA GLU A 74 2.815 11.509 3.510 1.00 0.00 C ATOM 1081 C GLU A 74 1.335 11.401 3.242 1.00 0.00 C ATOM 1082 O GLU A 74 0.892 10.559 2.469 1.00 0.00 O ATOM 1083 CB GLU A 74 3.382 12.675 2.700 1.00 0.00 C ATOM 1084 CG GLU A 74 4.834 12.992 3.031 1.00 0.00 C ATOM 1085 CD GLU A 74 5.333 14.249 2.352 1.00 0.00 C ATOM 1086 OE1 GLU A 74 4.615 15.268 2.380 1.00 0.00 O ATOM 1087 OE2 GLU A 74 6.451 14.234 1.807 1.00 0.00 O ATOM 0 H GLU A 74 3.255 9.866 2.290 1.00 0.00 H new ATOM 0 HA GLU A 74 2.981 11.701 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.302 12.443 1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.774 13.562 2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.939 13.102 4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.461 12.151 2.734 1.00 0.00 H new ATOM 1094 N LYS A 75 0.579 12.276 3.874 1.00 0.00 N ATOM 1095 CA LYS A 75 -0.833 12.418 3.584 1.00 0.00 C ATOM 1096 C LYS A 75 -0.984 13.250 2.304 1.00 0.00 C ATOM 1097 O LYS A 75 -1.892 14.067 2.172 1.00 0.00 O ATOM 1098 CB LYS A 75 -1.526 13.089 4.780 1.00 0.00 C ATOM 1099 CG LYS A 75 -3.048 13.091 4.724 1.00 0.00 C ATOM 1100 CD LYS A 75 -3.614 11.693 4.545 1.00 0.00 C ATOM 1101 CE LYS A 75 -5.123 11.677 4.731 1.00 0.00 C ATOM 1102 NZ LYS A 75 -5.796 12.736 3.933 1.00 0.00 N ATOM 0 H LYS A 75 0.924 12.905 4.599 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.302 11.447 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.212 12.584 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.179 14.120 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.444 13.527 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.379 13.724 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.365 11.322 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.150 11.016 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.513 10.702 4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.359 11.814 5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.820 12.556 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.616 13.664 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.423 12.729 2.962 1.00 0.00 H new ATOM 1116 N ASN A 76 -0.084 13.008 1.352 1.00 0.00 N ATOM 1117 CA ASN A 76 -0.036 13.778 0.120 1.00 0.00 C ATOM 1118 C ASN A 76 -0.141 12.885 -1.099 1.00 0.00 C ATOM 1119 O ASN A 76 0.868 12.455 -1.657 1.00 0.00 O ATOM 1120 CB ASN A 76 1.242 14.609 0.033 1.00 0.00 C ATOM 1121 CG ASN A 76 1.140 15.904 0.815 1.00 0.00 C ATOM 1122 OD1 ASN A 76 0.078 16.527 0.872 1.00 0.00 O ATOM 1123 ND2 ASN A 76 2.233 16.310 1.443 1.00 0.00 N ATOM 0 H ASN A 76 0.625 12.278 1.416 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.894 14.450 0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.080 14.024 0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.456 14.834 -1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.214 17.166 1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.094 15.767 1.372 1.00 0.00 H new ATOM 1130 N PRO A 77 -1.372 12.548 -1.483 1.00 0.00 N ATOM 1131 CA PRO A 77 -1.662 11.940 -2.776 1.00 0.00 C ATOM 1132 C PRO A 77 -1.062 12.763 -3.894 1.00 0.00 C ATOM 1133 O PRO A 77 -1.436 13.924 -4.088 1.00 0.00 O ATOM 1134 CB PRO A 77 -3.199 11.985 -2.862 1.00 0.00 C ATOM 1135 CG PRO A 77 -3.633 12.869 -1.735 1.00 0.00 C ATOM 1136 CD PRO A 77 -2.577 12.719 -0.683 1.00 0.00 C ATOM 0 HA PRO A 77 -1.253 10.934 -2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.528 12.382 -3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.627 10.987 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.720 13.906 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.611 12.571 -1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.517 13.595 -0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.763 11.860 -0.038 1.00 0.00 H new ATOM 1144 N ILE A 78 -0.122 12.185 -4.612 1.00 0.00 N ATOM 1145 CA ILE A 78 0.424 12.853 -5.765 1.00 0.00 C ATOM 1146 C ILE A 78 -0.678 13.002 -6.786 1.00 0.00 C ATOM 1147 O ILE A 78 -1.387 12.035 -7.078 1.00 0.00 O ATOM 1148 CB ILE A 78 1.613 12.088 -6.381 1.00 0.00 C ATOM 1149 CG1 ILE A 78 2.735 11.932 -5.357 1.00 0.00 C ATOM 1150 CG2 ILE A 78 2.129 12.820 -7.612 1.00 0.00 C ATOM 1151 CD1 ILE A 78 3.357 13.249 -4.948 1.00 0.00 C ATOM 0 H ILE A 78 0.273 11.265 -4.418 1.00 0.00 H new ATOM 0 HA ILE A 78 0.806 13.826 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 78 1.270 11.097 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.343 11.432 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.509 11.285 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.968 12.270 -8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.332 12.895 -8.352 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.457 13.820 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.147 13.068 -4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.778 13.740 -5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.594 13.889 -4.505 1.00 0.00 H new ATOM 1163 N VAL A 79 -0.871 14.222 -7.261 1.00 0.00 N ATOM 1164 CA VAL A 79 -1.854 14.495 -8.294 1.00 0.00 C ATOM 1165 C VAL A 79 -1.451 13.797 -9.588 1.00 0.00 C ATOM 1166 O VAL A 79 -0.929 14.414 -10.518 1.00 0.00 O ATOM 1167 CB VAL A 79 -2.039 16.012 -8.546 1.00 0.00 C ATOM 1168 CG1 VAL A 79 -3.210 16.264 -9.488 1.00 0.00 C ATOM 1169 CG2 VAL A 79 -2.238 16.752 -7.231 1.00 0.00 C ATOM 0 H VAL A 79 -0.355 15.043 -6.944 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.811 14.107 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.134 16.392 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.322 17.336 -9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.023 15.770 -10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.124 15.867 -9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.366 17.816 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.125 16.367 -6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.366 16.604 -6.594 1.00 0.00 H new