USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 HIS : no HD1:sc= -0.101 X(o=-0.8,f=-0.59) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.697 K(o=-0.8,f=-3.1) USER MOD Set 2.1: A 26 CYS SG : rot -131:sc= 0.154 USER MOD Set 2.2: A 30 TYR OH : rot 143:sc= 0.312 USER MOD Set 2.3: A 62 HIS : no HE2:sc= 0.141 K(o=0.61,f=-1.7) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.453 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -110:sc= -0.102 (180deg=-0.868) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.553 K(o=0.55,f=-0.081) USER MOD Single : A 29 GLN : amide:sc= 0.318 X(o=0.32,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= -0.273 (180deg=-0.749) USER MOD Single : A 33 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.76) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.146 USER MOD Single : A 43 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.21) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 50 GLN : amide:sc=-0.000276 X(o=-0.00028,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00711 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.835 -0.733 -10.532 1.00 0.00 N ATOM 60 CA GLY A 7 -6.365 -1.417 -11.722 1.00 0.00 C ATOM 61 C GLY A 7 -6.957 -0.841 -12.993 1.00 0.00 C ATOM 62 O GLY A 7 -6.263 -0.700 -14.001 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.278 -1.352 -11.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.619 -2.475 -11.653 1.00 0.00 H new ATOM 66 N VAL A 8 -8.243 -0.508 -12.948 1.00 0.00 N ATOM 67 CA VAL A 8 -8.928 0.055 -14.105 1.00 0.00 C ATOM 68 C VAL A 8 -8.269 1.354 -14.556 1.00 0.00 C ATOM 69 O VAL A 8 -8.368 1.741 -15.720 1.00 0.00 O ATOM 70 CB VAL A 8 -10.414 0.324 -13.802 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.143 0.774 -15.059 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.069 -0.914 -13.209 1.00 0.00 C ATOM 0 H VAL A 8 -8.831 -0.619 -12.122 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.856 -0.682 -14.905 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.478 1.127 -13.068 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.191 0.959 -14.825 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.688 1.690 -15.435 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.073 -0.004 -15.819 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.119 -0.706 -13.001 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.996 -1.739 -13.918 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.562 -1.185 -12.283 1.00 0.00 H new ATOM 82 N SER A 9 -7.595 2.023 -13.625 1.00 0.00 N ATOM 83 CA SER A 9 -6.922 3.281 -13.925 1.00 0.00 C ATOM 84 C SER A 9 -5.684 3.043 -14.785 1.00 0.00 C ATOM 85 O SER A 9 -5.270 3.911 -15.553 1.00 0.00 O ATOM 86 CB SER A 9 -6.528 3.994 -12.631 1.00 0.00 C ATOM 87 OG SER A 9 -5.624 3.211 -11.871 1.00 0.00 O ATOM 0 H SER A 9 -7.501 1.715 -12.657 1.00 0.00 H new ATOM 0 HA SER A 9 -7.615 3.911 -14.482 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.072 4.955 -12.867 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.420 4.201 -12.040 1.00 0.00 H new ATOM 0 HG SER A 9 -5.387 3.690 -11.050 1.00 0.00 H new ATOM 93 N LYS A 10 -5.097 1.858 -14.650 1.00 0.00 N ATOM 94 CA LYS A 10 -3.907 1.502 -15.414 1.00 0.00 C ATOM 95 C LYS A 10 -4.244 0.496 -16.509 1.00 0.00 C ATOM 96 O LYS A 10 -3.378 -0.247 -16.971 1.00 0.00 O ATOM 97 CB LYS A 10 -2.835 0.924 -14.487 1.00 0.00 C ATOM 98 CG LYS A 10 -2.565 1.778 -13.261 1.00 0.00 C ATOM 99 CD LYS A 10 -1.077 1.893 -12.979 1.00 0.00 C ATOM 100 CE LYS A 10 -0.815 2.506 -11.611 1.00 0.00 C ATOM 101 NZ LYS A 10 -0.091 1.566 -10.712 1.00 0.00 N ATOM 0 H LYS A 10 -5.426 1.128 -14.018 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.523 2.408 -15.884 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.143 -0.071 -14.165 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.908 0.805 -15.048 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.986 2.772 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.068 1.344 -12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.618 0.906 -13.030 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.606 2.504 -13.749 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.231 3.419 -11.728 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.762 2.790 -11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.068 2.021 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.659 0.705 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.824 1.315 -11.137 1.00 0.00 H new ATOM 115 N TRP A 11 -5.507 0.478 -16.921 1.00 0.00 N ATOM 116 CA TRP A 11 -5.957 -0.437 -17.964 1.00 0.00 C ATOM 117 C TRP A 11 -5.444 0.001 -19.331 1.00 0.00 C ATOM 118 O TRP A 11 -5.645 1.143 -19.743 1.00 0.00 O ATOM 119 CB TRP A 11 -7.485 -0.513 -17.979 1.00 0.00 C ATOM 120 CG TRP A 11 -8.027 -1.715 -17.268 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.438 -2.394 -16.239 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.266 -2.382 -17.534 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.236 -3.442 -15.849 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.364 -3.457 -16.627 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.303 -2.176 -18.447 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.456 -4.320 -16.612 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.386 -3.034 -18.431 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.457 -4.094 -17.517 1.00 0.00 C ATOM 0 H TRP A 11 -6.237 1.086 -16.549 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.553 -1.425 -17.745 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.891 0.387 -17.517 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.831 -0.525 -19.013 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.485 -2.144 -15.797 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.023 -4.102 -15.101 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.259 -1.360 -19.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.511 -5.139 -15.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.192 -2.885 -19.135 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.319 -4.745 -17.527 1.00 0.00 H new ATOM 139 N SER A 12 -4.781 -0.915 -20.031 1.00 0.00 N ATOM 140 CA SER A 12 -4.236 -0.621 -21.351 1.00 0.00 C ATOM 141 C SER A 12 -5.338 -0.169 -22.305 1.00 0.00 C ATOM 142 O SER A 12 -6.525 -0.407 -22.081 1.00 0.00 O ATOM 143 CB SER A 12 -3.528 -1.852 -21.919 1.00 0.00 C ATOM 144 OG SER A 12 -2.141 -1.612 -22.085 1.00 0.00 O ATOM 0 H SER A 12 -4.609 -1.866 -19.706 1.00 0.00 H new ATOM 0 HA SER A 12 -3.514 0.189 -21.247 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.676 -2.701 -21.251 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.971 -2.120 -22.878 1.00 0.00 H new ATOM 0 HG SER A 12 -1.711 -2.415 -22.448 1.00 0.00 H new ATOM 150 N PRO A 13 -4.937 0.500 -23.396 1.00 0.00 N ATOM 151 CA PRO A 13 -5.873 0.999 -24.408 1.00 0.00 C ATOM 152 C PRO A 13 -6.512 -0.127 -25.213 1.00 0.00 C ATOM 153 O PRO A 13 -7.567 0.053 -25.821 1.00 0.00 O ATOM 154 CB PRO A 13 -4.992 1.868 -25.309 1.00 0.00 C ATOM 155 CG PRO A 13 -3.619 1.312 -25.146 1.00 0.00 C ATOM 156 CD PRO A 13 -3.538 0.819 -23.727 1.00 0.00 C ATOM 0 HA PRO A 13 -6.709 1.536 -23.960 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.318 1.819 -26.348 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.033 2.916 -25.011 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.440 0.501 -25.852 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.864 2.074 -25.338 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.895 -0.057 -23.642 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.131 1.579 -23.060 1.00 0.00 H new ATOM 164 N SER A 14 -5.866 -1.289 -25.212 1.00 0.00 N ATOM 165 CA SER A 14 -6.370 -2.444 -25.946 1.00 0.00 C ATOM 166 C SER A 14 -7.214 -3.336 -25.041 1.00 0.00 C ATOM 167 O SER A 14 -8.093 -4.059 -25.511 1.00 0.00 O ATOM 168 CB SER A 14 -5.208 -3.247 -26.534 1.00 0.00 C ATOM 169 OG SER A 14 -4.596 -2.550 -27.605 1.00 0.00 O ATOM 0 H SER A 14 -4.993 -1.455 -24.711 1.00 0.00 H new ATOM 0 HA SER A 14 -7.000 -2.082 -26.759 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.470 -3.446 -25.757 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.571 -4.213 -26.885 1.00 0.00 H new ATOM 0 HG SER A 14 -3.856 -3.084 -27.962 1.00 0.00 H new ATOM 175 N GLN A 15 -6.939 -3.279 -23.742 1.00 0.00 N ATOM 176 CA GLN A 15 -7.673 -4.083 -22.771 1.00 0.00 C ATOM 177 C GLN A 15 -9.135 -3.656 -22.705 1.00 0.00 C ATOM 178 O GLN A 15 -10.038 -4.494 -22.706 1.00 0.00 O ATOM 179 CB GLN A 15 -7.031 -3.961 -21.388 1.00 0.00 C ATOM 180 CG GLN A 15 -5.837 -4.880 -21.188 1.00 0.00 C ATOM 181 CD GLN A 15 -6.076 -5.924 -20.115 1.00 0.00 C ATOM 182 OE1 GLN A 15 -6.189 -7.115 -20.405 1.00 0.00 O ATOM 183 NE2 GLN A 15 -6.155 -5.481 -18.866 1.00 0.00 N ATOM 0 H GLN A 15 -6.215 -2.686 -23.338 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.632 -5.124 -23.093 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.715 -2.929 -21.233 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.780 -4.182 -20.628 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.606 -5.379 -22.129 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.965 -4.283 -20.921 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.055 -4.485 -18.671 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.315 -6.137 -18.101 1.00 0.00 H new ATOM 192 N VAL A 16 -9.363 -2.348 -22.648 1.00 0.00 N ATOM 193 CA VAL A 16 -10.716 -1.809 -22.582 1.00 0.00 C ATOM 194 C VAL A 16 -11.590 -2.382 -23.692 1.00 0.00 C ATOM 195 O VAL A 16 -12.793 -2.572 -23.515 1.00 0.00 O ATOM 196 CB VAL A 16 -10.715 -0.273 -22.686 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.136 0.267 -22.646 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.874 0.335 -21.573 1.00 0.00 C ATOM 0 H VAL A 16 -8.627 -1.641 -22.646 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.125 -2.099 -21.614 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.272 0.008 -23.641 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.114 1.354 -22.721 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.705 -0.143 -23.481 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.609 -0.023 -21.708 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.884 1.421 -21.661 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.286 0.046 -20.606 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.849 -0.026 -21.653 1.00 0.00 H new ATOM 208 N VAL A 17 -10.976 -2.656 -24.839 1.00 0.00 N ATOM 209 CA VAL A 17 -11.697 -3.208 -25.980 1.00 0.00 C ATOM 210 C VAL A 17 -12.292 -4.572 -25.645 1.00 0.00 C ATOM 211 O VAL A 17 -13.398 -4.900 -26.075 1.00 0.00 O ATOM 212 CB VAL A 17 -10.780 -3.348 -27.209 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.586 -3.758 -28.433 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.030 -2.050 -27.465 1.00 0.00 C ATOM 0 H VAL A 17 -9.981 -2.505 -25.003 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.501 -2.511 -26.214 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.048 -4.130 -27.007 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.921 -3.852 -29.292 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.073 -4.715 -28.244 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.342 -3.001 -28.641 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.387 -2.167 -28.337 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.744 -1.247 -27.646 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.421 -1.804 -26.595 1.00 0.00 H new ATOM 224 N ASP A 18 -11.552 -5.361 -24.875 1.00 0.00 N ATOM 225 CA ASP A 18 -12.007 -6.690 -24.481 1.00 0.00 C ATOM 226 C ASP A 18 -13.204 -6.597 -23.540 1.00 0.00 C ATOM 227 O ASP A 18 -14.041 -7.498 -23.494 1.00 0.00 O ATOM 228 CB ASP A 18 -10.872 -7.462 -23.807 1.00 0.00 C ATOM 229 CG ASP A 18 -11.153 -8.949 -23.723 1.00 0.00 C ATOM 230 OD1 ASP A 18 -12.255 -9.368 -24.134 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.271 -9.694 -23.246 1.00 0.00 O ATOM 0 H ASP A 18 -10.634 -5.104 -24.511 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.315 -7.223 -25.380 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.948 -7.301 -24.361 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.714 -7.068 -22.803 1.00 0.00 H new ATOM 236 N TRP A 19 -13.278 -5.503 -22.791 1.00 0.00 N ATOM 237 CA TRP A 19 -14.372 -5.293 -21.850 1.00 0.00 C ATOM 238 C TRP A 19 -15.688 -5.070 -22.587 1.00 0.00 C ATOM 239 O TRP A 19 -16.720 -5.626 -22.214 1.00 0.00 O ATOM 240 CB TRP A 19 -14.071 -4.098 -20.944 1.00 0.00 C ATOM 241 CG TRP A 19 -15.224 -3.712 -20.067 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.788 -4.464 -19.077 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.954 -2.481 -20.104 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.825 -3.774 -18.496 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.947 -2.555 -19.108 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.864 -1.322 -20.881 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.842 -1.515 -18.870 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.754 -0.291 -20.644 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.731 -0.393 -19.645 1.00 0.00 C ATOM 0 H TRP A 19 -12.593 -4.747 -22.817 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.468 -6.189 -21.237 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.210 -4.334 -20.318 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.792 -3.244 -21.561 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.467 -5.455 -18.792 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.409 -4.115 -17.732 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.113 -1.234 -21.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.597 -1.591 -18.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.695 0.608 -21.239 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.410 0.431 -19.483 1.00 0.00 H new ATOM 260 N MET A 20 -15.644 -4.252 -23.633 1.00 0.00 N ATOM 261 CA MET A 20 -16.834 -3.957 -24.423 1.00 0.00 C ATOM 262 C MET A 20 -17.382 -5.222 -25.074 1.00 0.00 C ATOM 263 O MET A 20 -18.563 -5.298 -25.412 1.00 0.00 O ATOM 264 CB MET A 20 -16.515 -2.914 -25.495 1.00 0.00 C ATOM 265 CG MET A 20 -15.937 -1.624 -24.936 1.00 0.00 C ATOM 266 SD MET A 20 -17.183 -0.336 -24.731 1.00 0.00 S ATOM 267 CE MET A 20 -17.519 0.084 -26.440 1.00 0.00 C ATOM 0 H MET A 20 -14.798 -3.782 -23.953 1.00 0.00 H new ATOM 0 HA MET A 20 -17.595 -3.557 -23.753 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.808 -3.341 -26.206 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.425 -2.684 -26.049 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.469 -1.828 -23.973 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.153 -1.263 -25.602 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.126 1.078 -26.655 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.041 -0.645 -27.095 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.595 0.075 -26.612 1.00 0.00 H new ATOM 277 N LYS A 21 -16.516 -6.215 -25.249 1.00 0.00 N ATOM 278 CA LYS A 21 -16.912 -7.478 -25.859 1.00 0.00 C ATOM 279 C LYS A 21 -17.879 -8.239 -24.957 1.00 0.00 C ATOM 280 O LYS A 21 -18.515 -9.202 -25.384 1.00 0.00 O ATOM 281 CB LYS A 21 -15.680 -8.339 -26.144 1.00 0.00 C ATOM 282 CG LYS A 21 -14.698 -7.696 -27.108 1.00 0.00 C ATOM 283 CD LYS A 21 -13.889 -8.740 -27.860 1.00 0.00 C ATOM 284 CE LYS A 21 -13.360 -8.192 -29.177 1.00 0.00 C ATOM 285 NZ LYS A 21 -12.574 -9.212 -29.926 1.00 0.00 N ATOM 0 H LYS A 21 -15.534 -6.169 -24.976 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.418 -7.256 -26.799 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.169 -8.549 -25.204 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.003 -9.297 -26.552 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.240 -7.073 -27.819 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.024 -7.039 -26.558 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.055 -9.071 -27.241 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.510 -9.615 -28.052 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.195 -7.854 -29.791 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.734 -7.321 -28.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.231 -8.800 -30.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.763 -9.517 -29.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.179 -10.032 -30.134 1.00 0.00 H new ATOM 299 N GLY A 22 -17.985 -7.799 -23.707 1.00 0.00 N ATOM 300 CA GLY A 22 -18.878 -8.449 -22.765 1.00 0.00 C ATOM 301 C GLY A 22 -19.994 -7.535 -22.299 1.00 0.00 C ATOM 302 O GLY A 22 -20.586 -7.756 -21.241 1.00 0.00 O ATOM 0 H GLY A 22 -17.469 -7.004 -23.330 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.309 -9.336 -23.230 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.306 -8.788 -21.901 1.00 0.00 H new ATOM 306 N LEU A 23 -20.282 -6.506 -23.087 1.00 0.00 N ATOM 307 CA LEU A 23 -21.334 -5.554 -22.749 1.00 0.00 C ATOM 308 C LEU A 23 -22.503 -5.664 -23.723 1.00 0.00 C ATOM 309 O LEU A 23 -22.564 -6.590 -24.532 1.00 0.00 O ATOM 310 CB LEU A 23 -20.781 -4.128 -22.758 1.00 0.00 C ATOM 311 CG LEU A 23 -19.508 -3.897 -21.943 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.109 -2.430 -21.979 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.702 -4.363 -20.507 1.00 0.00 C ATOM 0 H LEU A 23 -19.802 -6.309 -23.965 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.696 -5.791 -21.748 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.584 -3.843 -23.791 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.555 -3.457 -22.384 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.704 -4.482 -22.389 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.201 -2.285 -21.393 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.928 -2.127 -23.010 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.912 -1.824 -21.559 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.786 -4.191 -19.942 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.520 -3.805 -20.051 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -19.939 -5.427 -20.499 1.00 0.00 H new ATOM 325 N ASP A 24 -23.426 -4.713 -23.641 1.00 0.00 N ATOM 326 CA ASP A 24 -24.592 -4.701 -24.517 1.00 0.00 C ATOM 327 C ASP A 24 -24.173 -4.818 -25.980 1.00 0.00 C ATOM 328 O ASP A 24 -23.101 -4.355 -26.368 1.00 0.00 O ATOM 329 CB ASP A 24 -25.401 -3.420 -24.307 1.00 0.00 C ATOM 330 CG ASP A 24 -26.896 -3.673 -24.311 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.454 -3.919 -25.402 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.508 -3.626 -23.224 1.00 0.00 O ATOM 0 H ASP A 24 -23.390 -3.940 -22.977 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.214 -5.560 -24.265 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.115 -2.964 -23.359 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.154 -2.705 -25.092 1.00 0.00 H new ATOM 337 N ASP A 25 -25.025 -5.442 -26.785 1.00 0.00 N ATOM 338 CA ASP A 25 -24.744 -5.621 -28.205 1.00 0.00 C ATOM 339 C ASP A 25 -24.716 -4.278 -28.927 1.00 0.00 C ATOM 340 O ASP A 25 -24.060 -4.130 -29.959 1.00 0.00 O ATOM 341 CB ASP A 25 -25.792 -6.534 -28.843 1.00 0.00 C ATOM 342 CG ASP A 25 -25.240 -7.907 -29.174 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.629 -8.531 -28.282 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.418 -8.357 -30.325 1.00 0.00 O ATOM 0 H ASP A 25 -25.916 -5.833 -26.479 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.762 -6.085 -28.300 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.639 -6.640 -28.165 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.169 -6.068 -29.753 1.00 0.00 H new ATOM 349 N CYS A 26 -25.431 -3.302 -28.378 1.00 0.00 N ATOM 350 CA CYS A 26 -25.489 -1.970 -28.971 1.00 0.00 C ATOM 351 C CYS A 26 -24.155 -1.247 -28.815 1.00 0.00 C ATOM 352 O CYS A 26 -23.846 -0.323 -29.568 1.00 0.00 O ATOM 353 CB CYS A 26 -26.606 -1.150 -28.325 1.00 0.00 C ATOM 354 SG CYS A 26 -28.151 -1.137 -29.264 1.00 0.00 S ATOM 0 H CYS A 26 -25.978 -3.408 -27.524 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.699 -2.081 -30.035 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.802 -1.546 -27.328 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.262 -0.124 -28.198 1.00 0.00 H new ATOM 0 HG CYS A 26 -28.576 0.086 -29.383 1.00 0.00 H new ATOM 360 N LEU A 27 -23.369 -1.672 -27.832 1.00 0.00 N ATOM 361 CA LEU A 27 -22.068 -1.065 -27.576 1.00 0.00 C ATOM 362 C LEU A 27 -20.957 -1.840 -28.277 1.00 0.00 C ATOM 363 O LEU A 27 -19.792 -1.757 -27.891 1.00 0.00 O ATOM 364 CB LEU A 27 -21.796 -1.010 -26.071 1.00 0.00 C ATOM 365 CG LEU A 27 -22.983 -0.623 -25.188 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.626 -0.775 -23.718 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.427 0.802 -25.487 1.00 0.00 C ATOM 0 H LEU A 27 -23.610 -2.435 -27.199 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.084 -0.050 -27.974 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.435 -1.987 -25.751 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.990 -0.298 -25.894 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.812 -1.295 -25.410 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.483 -0.495 -23.105 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.357 -1.811 -23.514 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.782 -0.127 -23.480 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.273 1.061 -24.850 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.603 1.488 -25.293 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.724 0.879 -26.533 1.00 0.00 H new ATOM 379 N GLN A 28 -21.327 -2.590 -29.310 1.00 0.00 N ATOM 380 CA GLN A 28 -20.361 -3.378 -30.066 1.00 0.00 C ATOM 381 C GLN A 28 -19.799 -2.575 -31.235 1.00 0.00 C ATOM 382 O GLN A 28 -18.587 -2.529 -31.442 1.00 0.00 O ATOM 383 CB GLN A 28 -21.011 -4.664 -30.580 1.00 0.00 C ATOM 384 CG GLN A 28 -21.514 -5.576 -29.473 1.00 0.00 C ATOM 385 CD GLN A 28 -20.390 -6.143 -28.628 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.480 -6.795 -29.142 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.447 -5.898 -27.325 1.00 0.00 N ATOM 0 H GLN A 28 -22.288 -2.668 -29.642 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.539 -3.637 -29.399 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.845 -4.404 -31.232 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.288 -5.209 -31.188 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.200 -5.020 -28.833 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.082 -6.396 -29.913 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.219 -5.353 -26.942 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.718 -6.255 -26.707 1.00 0.00 H new ATOM 396 N GLN A 29 -20.689 -1.945 -31.995 1.00 0.00 N ATOM 397 CA GLN A 29 -20.281 -1.145 -33.144 1.00 0.00 C ATOM 398 C GLN A 29 -19.284 -0.067 -32.730 1.00 0.00 C ATOM 399 O GLN A 29 -18.477 0.390 -33.540 1.00 0.00 O ATOM 400 CB GLN A 29 -21.502 -0.502 -33.804 1.00 0.00 C ATOM 401 CG GLN A 29 -22.306 0.381 -32.864 1.00 0.00 C ATOM 402 CD GLN A 29 -23.762 0.495 -33.273 1.00 0.00 C ATOM 403 OE1 GLN A 29 -24.082 1.063 -34.318 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.652 -0.046 -32.450 1.00 0.00 N ATOM 0 H GLN A 29 -21.696 -1.973 -31.836 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.796 -1.806 -33.862 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.173 0.093 -34.656 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.149 -1.287 -34.195 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.247 -0.022 -31.853 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.861 1.376 -32.837 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.342 -0.507 -31.595 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.646 -0.001 -32.673 1.00 0.00 H new ATOM 413 N TYR A 30 -19.347 0.335 -31.466 1.00 0.00 N ATOM 414 CA TYR A 30 -18.452 1.362 -30.946 1.00 0.00 C ATOM 415 C TYR A 30 -17.059 0.793 -30.693 1.00 0.00 C ATOM 416 O TYR A 30 -16.067 1.523 -30.707 1.00 0.00 O ATOM 417 CB TYR A 30 -19.017 1.953 -29.653 1.00 0.00 C ATOM 418 CG TYR A 30 -20.411 2.517 -29.803 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.758 3.279 -30.912 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.383 2.287 -28.837 1.00 0.00 C ATOM 421 CE1 TYR A 30 -22.031 3.797 -31.053 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.659 2.800 -28.970 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.978 3.554 -30.080 1.00 0.00 C ATOM 424 OH TYR A 30 -24.247 4.067 -30.217 1.00 0.00 O ATOM 0 H TYR A 30 -20.008 -0.034 -30.783 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.372 2.151 -31.694 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -19.028 1.180 -28.885 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.351 2.742 -29.303 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -20.020 3.470 -31.677 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.137 1.697 -27.967 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.283 4.389 -31.920 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.402 2.612 -28.209 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.900 3.420 -29.876 1.00 0.00 H new ATOM 434 N ILE A 31 -16.994 -0.514 -30.462 1.00 0.00 N ATOM 435 CA ILE A 31 -15.723 -1.181 -30.207 1.00 0.00 C ATOM 436 C ILE A 31 -14.702 -0.850 -31.290 1.00 0.00 C ATOM 437 O ILE A 31 -13.555 -0.513 -30.995 1.00 0.00 O ATOM 438 CB ILE A 31 -15.896 -2.710 -30.131 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.910 -3.077 -29.045 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.558 -3.382 -29.863 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.167 -4.563 -28.936 1.00 0.00 C ATOM 0 H ILE A 31 -17.806 -1.132 -30.446 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.361 -0.816 -29.246 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.273 -3.066 -31.090 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.551 -2.707 -28.084 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.851 -2.568 -29.251 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.697 -4.462 -29.812 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.863 -3.143 -30.668 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.154 -3.023 -28.916 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.895 -4.749 -28.147 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.556 -4.936 -29.884 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.235 -5.077 -28.699 1.00 0.00 H new ATOM 453 N LYS A 32 -15.126 -0.946 -32.545 1.00 0.00 N ATOM 454 CA LYS A 32 -14.250 -0.654 -33.674 1.00 0.00 C ATOM 455 C LYS A 32 -13.628 0.732 -33.535 1.00 0.00 C ATOM 456 O LYS A 32 -12.518 0.974 -34.005 1.00 0.00 O ATOM 457 CB LYS A 32 -15.029 -0.746 -34.988 1.00 0.00 C ATOM 458 CG LYS A 32 -15.964 0.427 -35.224 1.00 0.00 C ATOM 459 CD LYS A 32 -17.147 0.032 -36.092 1.00 0.00 C ATOM 460 CE LYS A 32 -16.875 0.305 -37.563 1.00 0.00 C ATOM 461 NZ LYS A 32 -15.605 -0.325 -38.018 1.00 0.00 N ATOM 0 H LYS A 32 -16.072 -1.224 -32.807 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.449 -1.393 -33.681 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.323 -0.809 -35.816 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.609 -1.669 -34.993 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.324 0.805 -34.267 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.416 1.239 -35.702 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.365 -1.027 -35.952 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.032 0.584 -35.776 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.703 -0.074 -38.162 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.827 1.381 -37.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.585 -0.354 -39.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.798 0.232 -37.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.544 -1.293 -37.643 1.00 0.00 H new ATOM 475 N ASN A 33 -14.352 1.638 -32.885 1.00 0.00 N ATOM 476 CA ASN A 33 -13.870 3.000 -32.684 1.00 0.00 C ATOM 477 C ASN A 33 -12.946 3.077 -31.472 1.00 0.00 C ATOM 478 O ASN A 33 -12.053 3.921 -31.412 1.00 0.00 O ATOM 479 CB ASN A 33 -15.049 3.958 -32.503 1.00 0.00 C ATOM 480 CG ASN A 33 -15.964 3.985 -33.712 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.516 3.826 -34.847 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.254 4.187 -33.472 1.00 0.00 N ATOM 0 H ASN A 33 -15.274 1.454 -32.489 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.304 3.293 -33.568 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.622 3.663 -31.624 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.671 4.963 -32.314 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.918 4.215 -34.245 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.581 4.314 -32.514 1.00 0.00 H new ATOM 489 N PHE A 34 -13.168 2.188 -30.509 1.00 0.00 N ATOM 490 CA PHE A 34 -12.356 2.155 -29.298 1.00 0.00 C ATOM 491 C PHE A 34 -10.981 1.559 -29.582 1.00 0.00 C ATOM 492 O PHE A 34 -10.006 1.869 -28.898 1.00 0.00 O ATOM 493 CB PHE A 34 -13.061 1.345 -28.208 1.00 0.00 C ATOM 494 CG PHE A 34 -13.992 2.163 -27.360 1.00 0.00 C ATOM 495 CD1 PHE A 34 -15.047 2.854 -27.935 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.813 2.241 -25.989 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.905 3.608 -27.157 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.668 2.994 -25.205 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.716 3.677 -25.790 1.00 0.00 C ATOM 0 H PHE A 34 -13.903 1.481 -30.544 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.224 3.180 -28.951 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.623 0.536 -28.674 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.310 0.883 -27.567 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.200 2.803 -29.003 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.996 1.707 -25.526 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.723 4.143 -27.617 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.516 3.048 -24.137 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.387 4.264 -25.180 1.00 0.00 H new ATOM 509 N GLU A 35 -10.911 0.702 -30.596 1.00 0.00 N ATOM 510 CA GLU A 35 -9.656 0.061 -30.969 1.00 0.00 C ATOM 511 C GLU A 35 -8.682 1.076 -31.561 1.00 0.00 C ATOM 512 O GLU A 35 -7.496 1.080 -31.231 1.00 0.00 O ATOM 513 CB GLU A 35 -9.910 -1.064 -31.975 1.00 0.00 C ATOM 514 CG GLU A 35 -9.425 -2.424 -31.502 1.00 0.00 C ATOM 515 CD GLU A 35 -7.941 -2.438 -31.192 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.137 -2.546 -32.141 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.583 -2.340 -29.999 1.00 0.00 O ATOM 0 H GLU A 35 -11.709 0.436 -31.173 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.212 -0.361 -30.067 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.979 -1.121 -32.182 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.416 -0.818 -32.915 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.981 -2.714 -30.611 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.639 -3.169 -32.268 1.00 0.00 H new ATOM 524 N ARG A 36 -9.192 1.935 -32.437 1.00 0.00 N ATOM 525 CA ARG A 36 -8.368 2.954 -33.077 1.00 0.00 C ATOM 526 C ARG A 36 -8.156 4.145 -32.147 1.00 0.00 C ATOM 527 O ARG A 36 -7.093 4.765 -32.149 1.00 0.00 O ATOM 528 CB ARG A 36 -9.018 3.421 -34.381 1.00 0.00 C ATOM 529 CG ARG A 36 -8.019 3.902 -35.421 1.00 0.00 C ATOM 530 CD ARG A 36 -8.706 4.261 -36.729 1.00 0.00 C ATOM 531 NE ARG A 36 -8.664 5.697 -36.993 1.00 0.00 N ATOM 532 CZ ARG A 36 -9.045 6.244 -38.142 1.00 0.00 C ATOM 533 NH1 ARG A 36 -9.493 5.479 -39.128 1.00 0.00 N ATOM 534 NH2 ARG A 36 -8.978 7.559 -38.306 1.00 0.00 N ATOM 0 H ARG A 36 -10.172 1.946 -32.720 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.397 2.512 -33.301 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.600 2.601 -34.801 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.717 4.228 -34.160 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.485 4.772 -35.039 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.276 3.125 -35.600 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.226 3.727 -37.549 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.744 3.929 -36.697 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.324 6.313 -36.255 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.546 4.468 -39.005 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.785 5.902 -40.009 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.634 8.150 -37.550 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.271 7.978 -39.188 1.00 0.00 H new ATOM 548 N GLU A 37 -9.176 4.459 -31.354 1.00 0.00 N ATOM 549 CA GLU A 37 -9.101 5.576 -30.420 1.00 0.00 C ATOM 550 C GLU A 37 -8.126 5.273 -29.286 1.00 0.00 C ATOM 551 O GLU A 37 -7.621 6.182 -28.627 1.00 0.00 O ATOM 552 CB GLU A 37 -10.486 5.885 -29.848 1.00 0.00 C ATOM 553 CG GLU A 37 -11.356 6.718 -30.775 1.00 0.00 C ATOM 554 CD GLU A 37 -11.395 8.181 -30.380 1.00 0.00 C ATOM 555 OE1 GLU A 37 -11.409 8.468 -29.165 1.00 0.00 O ATOM 556 OE2 GLU A 37 -11.412 9.040 -31.287 1.00 0.00 O ATOM 0 H GLU A 37 -10.063 3.956 -31.340 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.738 6.448 -30.964 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.997 4.947 -29.629 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.369 6.413 -28.901 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.981 6.631 -31.795 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.370 6.318 -30.773 1.00 0.00 H new ATOM 563 N LYS A 38 -7.867 3.989 -29.064 1.00 0.00 N ATOM 564 CA LYS A 38 -6.952 3.564 -28.011 1.00 0.00 C ATOM 565 C LYS A 38 -7.420 4.065 -26.649 1.00 0.00 C ATOM 566 O LYS A 38 -6.610 4.467 -25.813 1.00 0.00 O ATOM 567 CB LYS A 38 -5.539 4.077 -28.297 1.00 0.00 C ATOM 568 CG LYS A 38 -4.977 3.604 -29.627 1.00 0.00 C ATOM 569 CD LYS A 38 -4.532 2.153 -29.560 1.00 0.00 C ATOM 570 CE LYS A 38 -3.491 1.840 -30.623 1.00 0.00 C ATOM 571 NZ LYS A 38 -2.337 1.083 -30.063 1.00 0.00 N ATOM 0 H LYS A 38 -8.278 3.224 -29.599 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.939 2.474 -27.993 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.548 5.167 -28.283 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.875 3.753 -27.496 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.733 3.718 -30.404 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.132 4.232 -29.910 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.120 1.943 -28.573 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.395 1.500 -29.691 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.952 1.260 -31.423 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.135 2.769 -31.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.649 0.889 -30.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.881 1.646 -29.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.673 0.184 -29.662 1.00 0.00 H new ATOM 585 N ILE A 39 -8.731 4.036 -26.432 1.00 0.00 N ATOM 586 CA ILE A 39 -9.306 4.485 -25.169 1.00 0.00 C ATOM 587 C ILE A 39 -8.680 3.750 -23.989 1.00 0.00 C ATOM 588 O ILE A 39 -8.915 2.558 -23.791 1.00 0.00 O ATOM 589 CB ILE A 39 -10.831 4.276 -25.140 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.494 5.031 -26.294 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.402 4.733 -23.805 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.213 6.517 -26.285 1.00 0.00 C ATOM 0 H ILE A 39 -9.415 3.707 -27.114 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.092 5.551 -25.085 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.039 3.213 -25.259 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.149 4.610 -27.238 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.572 4.873 -26.249 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.481 4.579 -23.799 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.949 4.156 -22.999 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.186 5.791 -23.660 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.714 6.987 -27.131 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.583 6.952 -25.356 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.139 6.685 -26.361 1.00 0.00 H new ATOM 604 N SER A 40 -7.884 4.470 -23.205 1.00 0.00 N ATOM 605 CA SER A 40 -7.222 3.886 -22.044 1.00 0.00 C ATOM 606 C SER A 40 -8.148 3.894 -20.831 1.00 0.00 C ATOM 607 O SER A 40 -9.124 4.641 -20.786 1.00 0.00 O ATOM 608 CB SER A 40 -5.937 4.652 -21.724 1.00 0.00 C ATOM 609 OG SER A 40 -5.390 4.235 -20.485 1.00 0.00 O ATOM 0 H SER A 40 -7.682 5.459 -23.353 1.00 0.00 H new ATOM 0 HA SER A 40 -6.970 2.852 -22.281 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.208 4.494 -22.519 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.146 5.721 -21.691 1.00 0.00 H new ATOM 0 HG SER A 40 -4.569 4.738 -20.304 1.00 0.00 H new ATOM 615 N GLY A 41 -7.832 3.055 -19.849 1.00 0.00 N ATOM 616 CA GLY A 41 -8.644 2.979 -18.648 1.00 0.00 C ATOM 617 C GLY A 41 -8.810 4.327 -17.975 1.00 0.00 C ATOM 618 O GLY A 41 -9.918 4.709 -17.600 1.00 0.00 O ATOM 0 H GLY A 41 -7.029 2.427 -19.864 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.626 2.579 -18.902 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.187 2.280 -17.947 1.00 0.00 H new ATOM 622 N ASP A 42 -7.705 5.049 -17.819 1.00 0.00 N ATOM 623 CA ASP A 42 -7.732 6.361 -17.185 1.00 0.00 C ATOM 624 C ASP A 42 -8.782 7.257 -17.835 1.00 0.00 C ATOM 625 O ASP A 42 -9.356 8.130 -17.184 1.00 0.00 O ATOM 626 CB ASP A 42 -6.356 7.022 -17.271 1.00 0.00 C ATOM 627 CG ASP A 42 -6.288 8.324 -16.498 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.662 8.326 -15.306 1.00 0.00 O ATOM 629 OD2 ASP A 42 -5.863 9.342 -17.084 1.00 0.00 O ATOM 0 H ASP A 42 -6.780 4.747 -18.123 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.995 6.225 -16.136 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.602 6.335 -16.887 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.112 7.211 -18.316 1.00 0.00 H new ATOM 634 N GLN A 43 -9.026 7.036 -19.123 1.00 0.00 N ATOM 635 CA GLN A 43 -10.005 7.825 -19.861 1.00 0.00 C ATOM 636 C GLN A 43 -11.393 7.201 -19.763 1.00 0.00 C ATOM 637 O GLN A 43 -12.404 7.904 -19.767 1.00 0.00 O ATOM 638 CB GLN A 43 -9.590 7.948 -21.328 1.00 0.00 C ATOM 639 CG GLN A 43 -8.746 9.178 -21.621 1.00 0.00 C ATOM 640 CD GLN A 43 -8.842 9.621 -23.067 1.00 0.00 C ATOM 641 OE1 GLN A 43 -9.838 10.215 -23.482 1.00 0.00 O ATOM 642 NE2 GLN A 43 -7.804 9.334 -23.845 1.00 0.00 N ATOM 0 H GLN A 43 -8.559 6.317 -19.677 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.042 8.820 -19.417 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.031 7.057 -21.615 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.485 7.976 -21.949 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.064 9.995 -20.973 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.705 8.966 -21.379 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -6.999 8.840 -23.460 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -7.812 9.607 -24.828 1.00 0.00 H new ATOM 651 N LEU A 44 -11.435 5.876 -19.675 1.00 0.00 N ATOM 652 CA LEU A 44 -12.700 5.155 -19.576 1.00 0.00 C ATOM 653 C LEU A 44 -13.375 5.422 -18.235 1.00 0.00 C ATOM 654 O LEU A 44 -14.598 5.545 -18.157 1.00 0.00 O ATOM 655 CB LEU A 44 -12.469 3.654 -19.755 1.00 0.00 C ATOM 656 CG LEU A 44 -13.661 2.749 -19.439 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.804 3.016 -20.405 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.248 1.286 -19.489 1.00 0.00 C ATOM 0 H LEU A 44 -10.608 5.279 -19.670 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.357 5.512 -20.369 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.165 3.474 -20.786 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.634 3.357 -19.120 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.006 2.973 -18.430 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.643 2.363 -20.165 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.117 4.056 -20.319 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.472 2.820 -21.425 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.109 0.657 -19.262 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.877 1.047 -20.485 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.462 1.105 -18.756 1.00 0.00 H new ATOM 670 N LEU A 45 -12.571 5.511 -17.181 1.00 0.00 N ATOM 671 CA LEU A 45 -13.090 5.766 -15.842 1.00 0.00 C ATOM 672 C LEU A 45 -13.708 7.158 -15.753 1.00 0.00 C ATOM 673 O LEU A 45 -14.766 7.340 -15.152 1.00 0.00 O ATOM 674 CB LEU A 45 -11.974 5.624 -14.805 1.00 0.00 C ATOM 675 CG LEU A 45 -11.508 4.197 -14.512 1.00 0.00 C ATOM 676 CD1 LEU A 45 -10.122 4.206 -13.887 1.00 0.00 C ATOM 677 CD2 LEU A 45 -12.501 3.488 -13.603 1.00 0.00 C ATOM 0 H LEU A 45 -11.557 5.410 -17.228 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.867 5.030 -15.634 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.115 6.203 -15.143 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.313 6.073 -13.872 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.455 3.652 -15.454 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.807 3.182 -13.686 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.416 4.674 -14.573 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.147 4.768 -12.953 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.153 2.474 -13.405 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.586 4.032 -12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.476 3.449 -14.089 1.00 0.00 H new ATOM 689 N ARG A 46 -13.040 8.136 -16.356 1.00 0.00 N ATOM 690 CA ARG A 46 -13.524 9.511 -16.346 1.00 0.00 C ATOM 691 C ARG A 46 -14.138 9.881 -17.693 1.00 0.00 C ATOM 692 O ARG A 46 -14.124 11.046 -18.093 1.00 0.00 O ATOM 693 CB ARG A 46 -12.382 10.473 -16.012 1.00 0.00 C ATOM 694 CG ARG A 46 -11.215 10.393 -16.982 1.00 0.00 C ATOM 695 CD ARG A 46 -10.943 11.737 -17.639 1.00 0.00 C ATOM 696 NE ARG A 46 -10.746 12.798 -16.655 1.00 0.00 N ATOM 697 CZ ARG A 46 -10.607 14.080 -16.975 1.00 0.00 C ATOM 698 NH1 ARG A 46 -10.642 14.457 -18.245 1.00 0.00 N ATOM 699 NH2 ARG A 46 -10.432 14.987 -16.022 1.00 0.00 N ATOM 0 H ARG A 46 -12.162 8.002 -16.858 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.295 9.593 -15.580 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.768 11.492 -16.004 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.022 10.261 -15.005 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.323 10.059 -16.453 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.428 9.649 -17.749 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.058 11.659 -18.270 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.777 11.997 -18.291 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.713 12.541 -15.668 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.776 13.762 -18.980 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.535 15.442 -18.488 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.404 14.700 -15.044 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.325 15.971 -16.268 1.00 0.00 H new ATOM 713 N ILE A 47 -14.675 8.883 -18.387 1.00 0.00 N ATOM 714 CA ILE A 47 -15.295 9.105 -19.687 1.00 0.00 C ATOM 715 C ILE A 47 -16.545 9.968 -19.561 1.00 0.00 C ATOM 716 O ILE A 47 -17.410 9.710 -18.722 1.00 0.00 O ATOM 717 CB ILE A 47 -15.669 7.774 -20.366 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.216 8.030 -21.772 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.688 7.019 -19.525 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.414 7.357 -22.864 1.00 0.00 C ATOM 0 H ILE A 47 -14.693 7.913 -18.071 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.560 9.624 -20.302 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.771 7.161 -20.451 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.247 7.680 -21.821 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.235 9.104 -21.956 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.943 6.081 -20.018 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.265 6.810 -18.542 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.587 7.625 -19.412 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.859 7.582 -23.833 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.388 7.725 -22.842 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.416 6.279 -22.705 1.00 0.00 H new ATOM 732 N THR A 48 -16.637 10.994 -20.401 1.00 0.00 N ATOM 733 CA THR A 48 -17.782 11.895 -20.385 1.00 0.00 C ATOM 734 C THR A 48 -18.559 11.821 -21.694 1.00 0.00 C ATOM 735 O THR A 48 -18.076 11.270 -22.684 1.00 0.00 O ATOM 736 CB THR A 48 -17.347 13.353 -20.141 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.498 14.197 -20.033 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.454 13.846 -21.270 1.00 0.00 C ATOM 0 H THR A 48 -15.931 11.222 -21.101 1.00 0.00 H new ATOM 0 HA THR A 48 -18.425 11.573 -19.566 1.00 0.00 H new ATOM 0 HB THR A 48 -16.783 13.390 -19.209 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.212 15.121 -19.876 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.159 14.877 -21.077 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.564 13.219 -21.330 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.998 13.795 -22.213 1.00 0.00 H new ATOM 746 N HIS A 49 -19.765 12.380 -21.694 1.00 0.00 N ATOM 747 CA HIS A 49 -20.609 12.378 -22.884 1.00 0.00 C ATOM 748 C HIS A 49 -19.849 12.921 -24.090 1.00 0.00 C ATOM 749 O HIS A 49 -20.030 12.449 -25.212 1.00 0.00 O ATOM 750 CB HIS A 49 -21.868 13.212 -22.643 1.00 0.00 C ATOM 751 CG HIS A 49 -23.035 12.408 -22.158 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.178 12.003 -20.848 1.00 0.00 N ATOM 753 CD2 HIS A 49 -24.119 11.935 -22.816 1.00 0.00 C ATOM 754 CE1 HIS A 49 -24.298 11.315 -20.721 1.00 0.00 C ATOM 755 NE2 HIS A 49 -24.888 11.259 -21.901 1.00 0.00 N ATOM 0 H HIS A 49 -20.180 12.840 -20.884 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.898 11.348 -23.092 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.644 13.990 -21.913 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.144 13.715 -23.570 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -24.338 12.065 -23.865 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -24.668 10.873 -19.808 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -25.771 10.790 -22.100 1.00 0.00 H new ATOM 763 N GLN A 50 -18.998 13.913 -23.850 1.00 0.00 N ATOM 764 CA GLN A 50 -18.212 14.520 -24.917 1.00 0.00 C ATOM 765 C GLN A 50 -17.269 13.500 -25.546 1.00 0.00 C ATOM 766 O GLN A 50 -17.168 13.406 -26.769 1.00 0.00 O ATOM 767 CB GLN A 50 -17.412 15.707 -24.379 1.00 0.00 C ATOM 768 CG GLN A 50 -17.616 16.989 -25.171 1.00 0.00 C ATOM 769 CD GLN A 50 -16.513 18.002 -24.937 1.00 0.00 C ATOM 770 OE1 GLN A 50 -16.227 18.374 -23.799 1.00 0.00 O ATOM 771 NE2 GLN A 50 -15.886 18.454 -26.017 1.00 0.00 N ATOM 0 H GLN A 50 -18.835 14.313 -22.926 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.901 14.873 -25.684 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.693 15.883 -23.341 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.352 15.452 -24.384 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.666 16.751 -26.234 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.574 17.431 -24.898 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.156 18.118 -26.941 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.134 19.137 -25.922 1.00 0.00 H new ATOM 780 N GLU A 51 -16.580 12.738 -24.702 1.00 0.00 N ATOM 781 CA GLU A 51 -15.644 11.726 -25.176 1.00 0.00 C ATOM 782 C GLU A 51 -16.361 10.675 -26.020 1.00 0.00 C ATOM 783 O GLU A 51 -15.906 10.319 -27.108 1.00 0.00 O ATOM 784 CB GLU A 51 -14.942 11.054 -23.994 1.00 0.00 C ATOM 785 CG GLU A 51 -13.930 11.949 -23.300 1.00 0.00 C ATOM 786 CD GLU A 51 -12.567 11.913 -23.964 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.483 11.448 -25.120 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.585 12.350 -23.328 1.00 0.00 O ATOM 0 H GLU A 51 -16.653 12.803 -23.687 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.898 12.221 -25.798 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.692 10.737 -23.269 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.438 10.154 -24.345 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.300 12.974 -23.295 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.831 11.641 -22.259 1.00 0.00 H new ATOM 795 N LEU A 52 -17.485 10.182 -25.511 1.00 0.00 N ATOM 796 CA LEU A 52 -18.266 9.172 -26.216 1.00 0.00 C ATOM 797 C LEU A 52 -18.605 9.634 -27.629 1.00 0.00 C ATOM 798 O LEU A 52 -18.449 8.883 -28.592 1.00 0.00 O ATOM 799 CB LEU A 52 -19.551 8.864 -25.446 1.00 0.00 C ATOM 800 CG LEU A 52 -19.427 7.842 -24.315 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.561 8.013 -23.315 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.415 6.427 -24.873 1.00 0.00 C ATOM 0 H LEU A 52 -17.876 10.466 -24.612 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.664 8.266 -26.285 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.932 9.795 -25.027 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.298 8.504 -26.154 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.483 8.014 -23.797 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.457 7.278 -22.517 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.524 9.016 -22.891 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.516 7.868 -23.820 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -19.326 5.714 -24.054 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.342 6.242 -25.416 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.568 6.310 -25.550 1.00 0.00 H new ATOM 814 N GLU A 53 -19.067 10.875 -27.746 1.00 0.00 N ATOM 815 CA GLU A 53 -19.426 11.437 -29.043 1.00 0.00 C ATOM 816 C GLU A 53 -18.243 11.382 -30.006 1.00 0.00 C ATOM 817 O GLU A 53 -18.408 11.102 -31.193 1.00 0.00 O ATOM 818 CB GLU A 53 -19.900 12.883 -28.883 1.00 0.00 C ATOM 819 CG GLU A 53 -20.892 13.319 -29.948 1.00 0.00 C ATOM 820 CD GLU A 53 -21.051 14.826 -30.016 1.00 0.00 C ATOM 821 OE1 GLU A 53 -21.668 15.400 -29.095 1.00 0.00 O ATOM 822 OE2 GLU A 53 -20.557 15.430 -30.991 1.00 0.00 O ATOM 0 H GLU A 53 -19.201 11.510 -26.959 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.238 10.839 -29.457 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.359 13.000 -27.901 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.035 13.545 -28.911 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.563 12.948 -30.919 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.861 12.864 -29.744 1.00 0.00 H new ATOM 829 N ASP A 54 -17.051 11.653 -29.485 1.00 0.00 N ATOM 830 CA ASP A 54 -15.840 11.634 -30.297 1.00 0.00 C ATOM 831 C ASP A 54 -15.634 10.263 -30.935 1.00 0.00 C ATOM 832 O ASP A 54 -15.259 10.160 -32.103 1.00 0.00 O ATOM 833 CB ASP A 54 -14.624 12.002 -29.446 1.00 0.00 C ATOM 834 CG ASP A 54 -13.683 12.951 -30.162 1.00 0.00 C ATOM 835 OD1 ASP A 54 -12.866 12.474 -30.977 1.00 0.00 O ATOM 836 OD2 ASP A 54 -13.762 14.171 -29.906 1.00 0.00 O ATOM 0 H ASP A 54 -16.898 11.888 -28.504 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.954 12.371 -31.092 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.960 12.461 -28.516 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.084 11.094 -29.177 1.00 0.00 H new ATOM 841 N LEU A 55 -15.881 9.213 -30.159 1.00 0.00 N ATOM 842 CA LEU A 55 -15.723 7.848 -30.647 1.00 0.00 C ATOM 843 C LEU A 55 -16.735 7.540 -31.746 1.00 0.00 C ATOM 844 O LEU A 55 -16.494 6.698 -32.609 1.00 0.00 O ATOM 845 CB LEU A 55 -15.883 6.852 -29.497 1.00 0.00 C ATOM 846 CG LEU A 55 -14.822 6.919 -28.398 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.465 6.785 -27.026 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.771 5.839 -28.605 1.00 0.00 C ATOM 0 H LEU A 55 -16.191 9.281 -29.190 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.721 7.753 -31.065 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.860 7.009 -29.041 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.883 5.844 -29.913 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.331 7.891 -28.452 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.694 6.835 -26.257 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.179 7.595 -26.878 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.983 5.828 -26.959 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.024 5.902 -27.814 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.247 4.859 -28.578 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.288 5.982 -29.572 1.00 0.00 H new ATOM 860 N GLY A 56 -17.870 8.233 -31.708 1.00 0.00 N ATOM 861 CA GLY A 56 -18.902 8.021 -32.707 1.00 0.00 C ATOM 862 C GLY A 56 -20.275 7.839 -32.092 1.00 0.00 C ATOM 863 O GLY A 56 -21.292 8.004 -32.766 1.00 0.00 O ATOM 0 H GLY A 56 -18.093 8.937 -31.004 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.923 8.871 -33.390 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.654 7.141 -33.301 1.00 0.00 H new ATOM 867 N VAL A 57 -20.307 7.497 -30.808 1.00 0.00 N ATOM 868 CA VAL A 57 -21.566 7.292 -30.102 1.00 0.00 C ATOM 869 C VAL A 57 -22.423 8.552 -30.130 1.00 0.00 C ATOM 870 O VAL A 57 -22.232 9.464 -29.326 1.00 0.00 O ATOM 871 CB VAL A 57 -21.327 6.880 -28.637 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.639 6.493 -27.971 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.325 5.738 -28.562 1.00 0.00 C ATOM 0 H VAL A 57 -19.475 7.356 -30.235 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.091 6.487 -30.617 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.912 7.733 -28.100 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.451 6.205 -26.937 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.322 7.342 -27.993 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.085 5.655 -28.506 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.168 5.460 -27.520 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.710 4.880 -29.113 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.378 6.055 -28.999 1.00 0.00 H new ATOM 883 N SER A 58 -23.370 8.596 -31.063 1.00 0.00 N ATOM 884 CA SER A 58 -24.255 9.747 -31.199 1.00 0.00 C ATOM 885 C SER A 58 -25.661 9.411 -30.710 1.00 0.00 C ATOM 886 O SER A 58 -26.636 9.547 -31.449 1.00 0.00 O ATOM 887 CB SER A 58 -24.307 10.208 -32.656 1.00 0.00 C ATOM 888 OG SER A 58 -24.289 9.102 -33.542 1.00 0.00 O ATOM 0 H SER A 58 -23.544 7.848 -31.735 1.00 0.00 H new ATOM 0 HA SER A 58 -23.858 10.554 -30.584 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.209 10.797 -32.822 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.458 10.859 -32.865 1.00 0.00 H new ATOM 0 HG SER A 58 -24.325 9.423 -34.467 1.00 0.00 H new ATOM 894 N ARG A 59 -25.756 8.970 -29.460 1.00 0.00 N ATOM 895 CA ARG A 59 -27.042 8.613 -28.871 1.00 0.00 C ATOM 896 C ARG A 59 -27.060 8.922 -27.377 1.00 0.00 C ATOM 897 O ARG A 59 -26.042 9.303 -26.800 1.00 0.00 O ATOM 898 CB ARG A 59 -27.337 7.129 -29.100 1.00 0.00 C ATOM 899 CG ARG A 59 -28.529 6.878 -30.008 1.00 0.00 C ATOM 900 CD ARG A 59 -29.843 7.019 -29.254 1.00 0.00 C ATOM 901 NE ARG A 59 -30.426 8.349 -29.415 1.00 0.00 N ATOM 902 CZ ARG A 59 -30.997 8.770 -30.538 1.00 0.00 C ATOM 903 NH1 ARG A 59 -31.062 7.970 -31.593 1.00 0.00 N ATOM 904 NH2 ARG A 59 -31.505 9.994 -30.606 1.00 0.00 N ATOM 0 H ARG A 59 -24.958 8.851 -28.835 1.00 0.00 H new ATOM 0 HA ARG A 59 -27.814 9.209 -29.357 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.456 6.655 -29.532 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.517 6.650 -28.137 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -28.508 7.582 -30.840 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -28.459 5.877 -30.435 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -30.548 6.268 -29.611 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -29.676 6.822 -28.195 1.00 0.00 H new ATOM 0 HE ARG A 59 -30.393 8.989 -28.622 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -30.673 7.028 -31.544 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -31.501 8.296 -32.454 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -31.457 10.612 -29.796 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -31.943 10.317 -31.468 1.00 0.00 H new ATOM 918 N ILE A 60 -28.225 8.757 -26.759 1.00 0.00 N ATOM 919 CA ILE A 60 -28.375 9.017 -25.333 1.00 0.00 C ATOM 920 C ILE A 60 -28.486 7.717 -24.545 1.00 0.00 C ATOM 921 O ILE A 60 -27.851 7.554 -23.503 1.00 0.00 O ATOM 922 CB ILE A 60 -29.616 9.884 -25.047 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.547 11.190 -25.842 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.730 10.171 -23.557 1.00 0.00 C ATOM 925 CD1 ILE A 60 -28.361 12.056 -25.480 1.00 0.00 C ATOM 0 H ILE A 60 -29.078 8.445 -27.223 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.483 9.556 -25.015 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.504 9.335 -25.361 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.505 10.956 -26.906 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.464 11.756 -25.676 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.612 10.784 -23.371 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.820 9.232 -23.011 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.840 10.703 -23.220 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -28.376 12.964 -26.082 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -28.412 12.320 -24.424 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.438 11.508 -25.673 1.00 0.00 H new ATOM 937 N GLY A 61 -29.296 6.791 -25.050 1.00 0.00 N ATOM 938 CA GLY A 61 -29.473 5.515 -24.382 1.00 0.00 C ATOM 939 C GLY A 61 -28.261 4.616 -24.517 1.00 0.00 C ATOM 940 O GLY A 61 -28.087 3.675 -23.742 1.00 0.00 O ATOM 0 H GLY A 61 -29.833 6.902 -25.910 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.678 5.687 -23.325 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.345 5.009 -24.797 1.00 0.00 H new ATOM 944 N HIS A 62 -27.420 4.904 -25.506 1.00 0.00 N ATOM 945 CA HIS A 62 -26.217 4.113 -25.741 1.00 0.00 C ATOM 946 C HIS A 62 -25.052 4.634 -24.905 1.00 0.00 C ATOM 947 O HIS A 62 -24.297 3.855 -24.323 1.00 0.00 O ATOM 948 CB HIS A 62 -25.847 4.137 -27.224 1.00 0.00 C ATOM 949 CG HIS A 62 -26.893 3.536 -28.113 1.00 0.00 C ATOM 950 ND1 HIS A 62 -27.059 3.899 -29.432 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.827 2.589 -27.864 1.00 0.00 C ATOM 952 CE1 HIS A 62 -28.052 3.203 -29.957 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.535 2.400 -29.026 1.00 0.00 N ATOM 0 H HIS A 62 -27.549 5.679 -26.157 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.424 3.085 -25.443 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.671 5.168 -27.529 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.910 3.599 -27.365 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -26.502 4.596 -29.926 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.986 2.077 -26.926 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.408 3.278 -30.974 1.00 0.00 H new ATOM 961 N GLN A 63 -24.913 5.955 -24.852 1.00 0.00 N ATOM 962 CA GLN A 63 -23.838 6.579 -24.089 1.00 0.00 C ATOM 963 C GLN A 63 -23.955 6.238 -22.607 1.00 0.00 C ATOM 964 O GLN A 63 -22.949 6.040 -21.926 1.00 0.00 O ATOM 965 CB GLN A 63 -23.864 8.096 -24.279 1.00 0.00 C ATOM 966 CG GLN A 63 -23.284 8.552 -25.608 1.00 0.00 C ATOM 967 CD GLN A 63 -22.981 10.038 -25.634 1.00 0.00 C ATOM 968 OE1 GLN A 63 -22.289 10.556 -24.757 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.497 10.731 -26.641 1.00 0.00 N ATOM 0 H GLN A 63 -25.530 6.613 -25.328 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.889 6.190 -24.459 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -24.893 8.446 -24.202 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.306 8.565 -23.468 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.369 7.995 -25.811 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -23.986 8.314 -26.407 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.065 10.261 -27.346 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.326 11.734 -26.710 1.00 0.00 H new ATOM 978 N GLU A 64 -25.188 6.172 -22.115 1.00 0.00 N ATOM 979 CA GLU A 64 -25.434 5.856 -20.712 1.00 0.00 C ATOM 980 C GLU A 64 -25.274 4.361 -20.455 1.00 0.00 C ATOM 981 O GLU A 64 -24.944 3.942 -19.345 1.00 0.00 O ATOM 982 CB GLU A 64 -26.838 6.308 -20.304 1.00 0.00 C ATOM 983 CG GLU A 64 -27.041 7.812 -20.387 1.00 0.00 C ATOM 984 CD GLU A 64 -28.440 8.234 -19.981 1.00 0.00 C ATOM 985 OE1 GLU A 64 -29.403 7.524 -20.341 1.00 0.00 O ATOM 986 OE2 GLU A 64 -28.572 9.275 -19.303 1.00 0.00 O ATOM 0 H GLU A 64 -26.031 6.333 -22.666 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.699 6.391 -20.111 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.570 5.815 -20.944 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.034 5.979 -19.284 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.314 8.309 -19.744 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -26.846 8.146 -21.406 1.00 0.00 H new ATOM 993 N LEU A 65 -25.511 3.560 -21.488 1.00 0.00 N ATOM 994 CA LEU A 65 -25.394 2.110 -21.375 1.00 0.00 C ATOM 995 C LEU A 65 -23.987 1.709 -20.946 1.00 0.00 C ATOM 996 O LEU A 65 -23.812 0.878 -20.054 1.00 0.00 O ATOM 997 CB LEU A 65 -25.742 1.446 -22.708 1.00 0.00 C ATOM 998 CG LEU A 65 -27.144 0.845 -22.813 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.415 0.366 -24.231 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.311 -0.297 -21.821 1.00 0.00 C ATOM 0 H LEU A 65 -25.785 3.890 -22.413 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.096 1.772 -20.613 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.625 2.185 -23.501 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -25.015 0.657 -22.898 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.870 1.621 -22.569 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.417 -0.059 -24.286 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.339 1.207 -24.920 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.683 -0.394 -24.504 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.315 -0.712 -21.910 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.577 -1.074 -22.034 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.161 0.076 -20.808 1.00 0.00 H new ATOM 1012 N ILE A 66 -22.986 2.307 -21.585 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.594 2.014 -21.266 1.00 0.00 C ATOM 1014 C ILE A 66 -21.221 2.550 -19.889 1.00 0.00 C ATOM 1015 O ILE A 66 -20.552 1.873 -19.107 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.639 2.614 -22.315 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -21.031 2.149 -23.719 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.201 2.226 -22.004 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.287 2.868 -24.823 1.00 0.00 C ATOM 0 H ILE A 66 -23.113 2.997 -22.326 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.490 0.929 -21.270 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.718 3.701 -22.278 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.845 1.078 -23.804 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.102 2.298 -23.857 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.538 2.657 -22.754 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.928 2.602 -21.018 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.106 1.140 -22.017 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.615 2.488 -25.790 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.493 3.937 -24.764 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.216 2.698 -24.711 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.659 3.770 -19.596 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.373 4.398 -18.311 1.00 0.00 C ATOM 1033 C LEU A 67 -21.934 3.567 -17.162 1.00 0.00 C ATOM 1034 O LEU A 67 -21.241 3.303 -16.180 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.961 5.810 -18.269 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.462 6.777 -19.343 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.464 7.902 -19.555 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.100 7.339 -18.963 1.00 0.00 C ATOM 0 H LEU A 67 -22.214 4.344 -20.231 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.291 4.458 -18.197 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.045 5.733 -18.353 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.747 6.242 -17.292 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.358 6.228 -20.279 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.092 8.581 -20.323 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.419 7.484 -19.872 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.600 8.449 -18.622 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.760 8.025 -19.739 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.178 7.872 -18.016 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.385 6.523 -18.862 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.191 3.156 -17.294 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.843 2.353 -16.266 1.00 0.00 C ATOM 1052 C GLU A 68 -23.026 1.103 -15.952 1.00 0.00 C ATOM 1053 O GLU A 68 -23.091 0.568 -14.846 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.251 1.956 -16.715 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.083 1.316 -15.616 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.045 2.292 -14.969 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -26.742 3.504 -14.958 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -28.101 1.846 -14.474 1.00 0.00 O ATOM 0 H GLU A 68 -23.778 3.365 -18.102 1.00 0.00 H new ATOM 0 HA GLU A 68 -23.914 2.956 -15.361 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.769 2.842 -17.082 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.174 1.262 -17.552 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -26.645 0.479 -16.031 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.419 0.907 -14.854 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.259 0.643 -16.935 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.428 -0.543 -16.763 1.00 0.00 C ATOM 1067 C ALA A 69 -20.107 -0.194 -16.086 1.00 0.00 C ATOM 1068 O ALA A 69 -19.499 -1.033 -15.421 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.174 -1.208 -18.108 1.00 0.00 C ATOM 0 H ALA A 69 -22.196 1.073 -17.858 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.963 -1.241 -16.119 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.552 -2.092 -17.965 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.124 -1.501 -18.554 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.663 -0.508 -18.769 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.668 1.048 -16.259 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.419 1.508 -15.663 1.00 0.00 C ATOM 1077 C VAL A 70 -18.569 1.712 -14.160 1.00 0.00 C ATOM 1078 O VAL A 70 -17.643 1.450 -13.392 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.943 2.825 -16.304 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.656 3.303 -15.649 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.755 2.650 -17.803 1.00 0.00 C ATOM 0 H VAL A 70 -20.159 1.754 -16.807 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.676 0.733 -15.849 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.708 3.585 -16.143 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.335 4.235 -16.115 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.829 3.470 -14.586 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.881 2.548 -15.776 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.419 3.590 -18.240 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.010 1.877 -17.988 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.702 2.358 -18.257 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.741 2.180 -13.746 1.00 0.00 N ATOM 1092 CA ASP A 71 -20.014 2.418 -12.334 1.00 0.00 C ATOM 1093 C ASP A 71 -19.739 1.165 -11.508 1.00 0.00 C ATOM 1094 O ASP A 71 -19.403 1.249 -10.326 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.465 2.862 -12.140 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.589 4.037 -11.190 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -21.435 5.189 -11.648 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -21.840 3.805 -9.989 1.00 0.00 O ATOM 0 H ASP A 71 -20.518 2.402 -14.369 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.350 3.211 -11.991 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.891 3.133 -13.106 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -22.050 2.026 -11.757 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.884 0.005 -12.138 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.651 -1.267 -11.462 1.00 0.00 C ATOM 1105 C LEU A 72 -18.162 -1.594 -11.414 1.00 0.00 C ATOM 1106 O LEU A 72 -17.693 -2.271 -10.498 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.409 -2.390 -12.172 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.821 -2.675 -11.659 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.587 -3.533 -12.655 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -21.768 -3.353 -10.298 1.00 0.00 C ATOM 0 H LEU A 72 -20.162 -0.082 -13.116 1.00 0.00 H new ATOM 0 HA LEU A 72 -20.017 -1.179 -10.439 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.472 -2.145 -13.232 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.823 -3.305 -12.090 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.345 -1.726 -11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.590 -3.726 -12.273 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.656 -3.010 -13.609 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.065 -4.479 -12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -22.782 -3.548 -9.949 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.226 -4.295 -10.382 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.258 -2.703 -9.587 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.423 -1.108 -12.405 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.985 -1.346 -12.475 1.00 0.00 C ATOM 1124 C LEU A 73 -15.260 -0.639 -11.335 1.00 0.00 C ATOM 1125 O LEU A 73 -14.382 -1.217 -10.692 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.434 -0.868 -13.819 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.247 -1.944 -14.889 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.881 -1.313 -16.224 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.182 -2.943 -14.460 1.00 0.00 C ATOM 0 H LEU A 73 -17.795 -0.547 -13.171 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.814 -2.418 -12.380 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.105 -0.105 -14.213 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.472 -0.387 -13.644 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.190 -2.477 -15.009 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.752 -2.095 -16.973 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.677 -0.638 -16.538 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.951 -0.754 -16.119 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.062 -3.702 -15.233 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.235 -2.424 -14.311 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.485 -3.420 -13.528 1.00 0.00 H new