USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 752 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 88 MET CE :methyl 149:sc= -0.439 (180deg=-1.98!) USER MOD Set 1.2: A 89 SER OG : rot 61:sc= 0.388 USER MOD Set 2.1: A 42 ASN : amide:sc= -4.99! C(o=-7.9!,f=-5.6!) USER MOD Set 2.2: A 43 SER OG : rot 129:sc= -2.92! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.21) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 48:sc= 0.23 USER MOD Single : A 23 SER OG : rot 93:sc= 0.636 USER MOD Single : A 25 SER OG : rot 101:sc= -0.353! USER MOD Single : A 28 ASN : amide:sc= 0.621 K(o=0.62,f=-1.5) USER MOD Single : A 32 SER OG : rot 180:sc= -2.44 USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= 0.364 (180deg=-0.217) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.01) USER MOD Single : A 57 SER OG : rot 48:sc= -4.83! USER MOD Single : A 61 HIS : no HE2:sc= -7.25! C(o=-7.2!,f=-9.7!) USER MOD Single : A 64 MET CE :methyl 164:sc= -2.69 (180deg=-3.47!) USER MOD Single : A 74 MET CE :methyl -121:sc= -2.5! (180deg=-7.65!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -2.08! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -13.343 -4.971 18.922 1.00 0.00 N ATOM 2 CA PRO A 6 -12.919 -3.555 19.047 1.00 0.00 C ATOM 3 C PRO A 6 -12.225 -3.092 17.763 1.00 0.00 C ATOM 4 O PRO A 6 -12.253 -3.767 16.754 1.00 0.00 O ATOM 5 CB PRO A 6 -11.938 -3.580 20.217 1.00 0.00 C ATOM 6 CG PRO A 6 -11.419 -4.983 20.259 1.00 0.00 C ATOM 7 CD PRO A 6 -12.508 -5.874 19.722 1.00 0.00 C ATOM 0 HA PRO A 6 -13.750 -2.869 19.208 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.129 -2.864 20.069 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.432 -3.314 21.152 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.514 -5.077 19.659 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.157 -5.266 21.278 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.100 -6.682 19.115 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.079 -6.337 20.527 1.00 0.00 H new ATOM 15 N TRP A 7 -11.598 -1.949 17.795 1.00 0.00 N ATOM 16 CA TRP A 7 -10.900 -1.447 16.580 1.00 0.00 C ATOM 17 C TRP A 7 -10.024 -2.556 15.995 1.00 0.00 C ATOM 18 O TRP A 7 -9.267 -3.196 16.698 1.00 0.00 O ATOM 19 CB TRP A 7 -10.045 -0.282 17.078 1.00 0.00 C ATOM 20 CG TRP A 7 -9.198 0.244 15.964 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.469 0.104 14.647 1.00 0.00 C ATOM 22 CD2 TRP A 7 -7.954 0.994 16.049 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.469 0.721 13.917 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.510 1.283 14.736 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.174 1.445 17.128 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.334 1.998 14.503 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -5.989 2.163 16.896 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.570 2.439 15.587 1.00 0.00 C ATOM 0 H TRP A 7 -11.539 -1.341 18.612 1.00 0.00 H new ATOM 0 HA TRP A 7 -11.587 -1.136 15.793 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.686 0.511 17.464 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.413 -0.611 17.903 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.326 -0.406 14.233 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.443 0.756 12.898 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.487 1.238 18.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.017 2.209 13.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.397 2.505 17.732 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.658 2.992 15.416 1.00 0.00 H new ATOM 39 N ALA A 8 -10.126 -2.793 14.714 1.00 0.00 N ATOM 40 CA ALA A 8 -9.303 -3.865 14.084 1.00 0.00 C ATOM 41 C ALA A 8 -7.886 -3.857 14.654 1.00 0.00 C ATOM 42 O ALA A 8 -7.212 -4.868 14.684 1.00 0.00 O ATOM 43 CB ALA A 8 -9.275 -3.519 12.599 1.00 0.00 C ATOM 0 H ALA A 8 -10.744 -2.290 14.077 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.714 -4.857 14.270 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.686 -4.263 12.063 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.292 -3.511 12.208 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.826 -2.535 12.463 1.00 0.00 H new ATOM 49 N VAL A 9 -7.428 -2.724 15.107 1.00 0.00 N ATOM 50 CA VAL A 9 -6.053 -2.655 15.676 1.00 0.00 C ATOM 51 C VAL A 9 -6.122 -2.619 17.207 1.00 0.00 C ATOM 52 O VAL A 9 -6.964 -1.961 17.786 1.00 0.00 O ATOM 53 CB VAL A 9 -5.455 -1.361 15.119 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.056 -1.152 15.704 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.358 -1.460 13.592 1.00 0.00 C ATOM 0 H VAL A 9 -7.945 -1.844 15.108 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.446 -3.520 15.410 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.093 -0.520 15.391 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.630 -0.230 15.307 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.122 -1.083 16.790 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.418 -1.993 15.432 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.932 -0.539 13.194 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.720 -2.301 13.322 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.353 -1.610 13.173 1.00 0.00 H new ATOM 65 N LYS A 10 -5.249 -3.333 17.864 1.00 0.00 N ATOM 66 CA LYS A 10 -5.265 -3.356 19.357 1.00 0.00 C ATOM 67 C LYS A 10 -4.242 -2.364 19.918 1.00 0.00 C ATOM 68 O LYS A 10 -3.552 -1.698 19.172 1.00 0.00 O ATOM 69 CB LYS A 10 -4.874 -4.788 19.723 1.00 0.00 C ATOM 70 CG LYS A 10 -6.073 -5.508 20.344 1.00 0.00 C ATOM 71 CD LYS A 10 -5.637 -6.890 20.836 1.00 0.00 C ATOM 72 CE LYS A 10 -6.239 -7.154 22.217 1.00 0.00 C ATOM 73 NZ LYS A 10 -7.154 -8.313 22.022 1.00 0.00 N ATOM 0 H LYS A 10 -4.523 -3.903 17.431 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.235 -3.072 19.766 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.538 -5.322 18.834 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.040 -4.779 20.424 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.472 -4.924 21.173 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.872 -5.607 19.609 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.962 -7.657 20.133 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.549 -6.944 20.885 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.464 -7.382 22.949 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.779 -6.282 22.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.606 -8.555 22.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.885 -8.065 21.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.611 -9.130 21.677 1.00 0.00 H new ATOM 87 N PRO A 11 -4.173 -2.306 21.222 1.00 0.00 N ATOM 88 CA PRO A 11 -3.213 -1.395 21.893 1.00 0.00 C ATOM 89 C PRO A 11 -1.782 -1.885 21.670 1.00 0.00 C ATOM 90 O PRO A 11 -0.863 -1.106 21.518 1.00 0.00 O ATOM 91 CB PRO A 11 -3.603 -1.483 23.366 1.00 0.00 C ATOM 92 CG PRO A 11 -4.288 -2.805 23.503 1.00 0.00 C ATOM 93 CD PRO A 11 -4.967 -3.077 22.186 1.00 0.00 C ATOM 0 HA PRO A 11 -3.247 -0.373 21.515 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.727 -1.423 24.011 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.264 -0.664 23.650 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.570 -3.591 23.738 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.014 -2.783 24.316 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.966 -4.140 21.947 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.008 -2.754 22.197 1.00 0.00 H new ATOM 101 N GLU A 12 -1.591 -3.175 21.639 1.00 0.00 N ATOM 102 CA GLU A 12 -0.222 -3.718 21.415 1.00 0.00 C ATOM 103 C GLU A 12 0.159 -3.573 19.941 1.00 0.00 C ATOM 104 O GLU A 12 1.317 -3.432 19.600 1.00 0.00 O ATOM 105 CB GLU A 12 -0.305 -5.192 21.813 1.00 0.00 C ATOM 106 CG GLU A 12 -1.148 -5.955 20.790 1.00 0.00 C ATOM 107 CD GLU A 12 -1.365 -7.389 21.276 1.00 0.00 C ATOM 108 OE1 GLU A 12 -0.382 -8.089 21.451 1.00 0.00 O ATOM 109 OE2 GLU A 12 -2.511 -7.764 21.464 1.00 0.00 O ATOM 0 H GLU A 12 -2.323 -3.876 21.759 1.00 0.00 H new ATOM 0 HA GLU A 12 0.536 -3.190 21.994 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.696 -5.621 21.867 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.746 -5.287 22.805 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.108 -5.458 20.651 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.648 -5.960 19.822 1.00 0.00 H new ATOM 116 N ASP A 13 -0.808 -3.583 19.064 1.00 0.00 N ATOM 117 CA ASP A 13 -0.497 -3.420 17.618 1.00 0.00 C ATOM 118 C ASP A 13 -0.365 -1.932 17.314 1.00 0.00 C ATOM 119 O ASP A 13 0.472 -1.511 16.540 1.00 0.00 O ATOM 120 CB ASP A 13 -1.688 -4.023 16.873 1.00 0.00 C ATOM 121 CG ASP A 13 -1.307 -5.405 16.336 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.551 -5.459 15.380 1.00 0.00 O ATOM 123 OD2 ASP A 13 -1.781 -6.384 16.888 1.00 0.00 O ATOM 0 H ASP A 13 -1.797 -3.697 19.287 1.00 0.00 H new ATOM 0 HA ASP A 13 0.433 -3.907 17.324 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.545 -4.104 17.541 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.985 -3.371 16.052 1.00 0.00 H new ATOM 128 N LYS A 14 -1.180 -1.131 17.942 1.00 0.00 N ATOM 129 CA LYS A 14 -1.100 0.336 17.719 1.00 0.00 C ATOM 130 C LYS A 14 0.193 0.862 18.341 1.00 0.00 C ATOM 131 O LYS A 14 0.682 1.918 17.991 1.00 0.00 O ATOM 132 CB LYS A 14 -2.317 0.917 18.435 1.00 0.00 C ATOM 133 CG LYS A 14 -2.186 2.439 18.522 1.00 0.00 C ATOM 134 CD LYS A 14 -2.474 3.057 17.154 1.00 0.00 C ATOM 135 CE LYS A 14 -3.386 4.276 17.323 1.00 0.00 C ATOM 136 NZ LYS A 14 -2.560 5.279 18.052 1.00 0.00 N ATOM 0 H LYS A 14 -1.899 -1.431 18.601 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.095 0.606 16.663 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.228 0.651 17.899 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.400 0.492 19.435 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.881 2.832 19.264 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.183 2.710 18.851 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.541 3.352 16.673 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.949 2.322 16.504 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.713 4.661 16.357 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.285 4.021 17.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.973 6.225 17.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.538 5.041 19.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.591 5.272 17.674 1.00 0.00 H new ATOM 150 N ALA A 15 0.754 0.118 19.252 1.00 0.00 N ATOM 151 CA ALA A 15 2.025 0.554 19.890 1.00 0.00 C ATOM 152 C ALA A 15 3.156 0.411 18.877 1.00 0.00 C ATOM 153 O ALA A 15 3.980 1.289 18.719 1.00 0.00 O ATOM 154 CB ALA A 15 2.230 -0.397 21.069 1.00 0.00 C ATOM 0 H ALA A 15 0.386 -0.774 19.582 1.00 0.00 H new ATOM 0 HA ALA A 15 2.003 1.592 20.221 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.151 -0.137 21.590 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.388 -0.312 21.756 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.297 -1.421 20.703 1.00 0.00 H new ATOM 160 N LYS A 16 3.185 -0.686 18.170 1.00 0.00 N ATOM 161 CA LYS A 16 4.242 -0.871 17.145 1.00 0.00 C ATOM 162 C LYS A 16 3.902 0.015 15.944 1.00 0.00 C ATOM 163 O LYS A 16 4.760 0.429 15.191 1.00 0.00 O ATOM 164 CB LYS A 16 4.210 -2.371 16.810 1.00 0.00 C ATOM 165 CG LYS A 16 3.368 -2.629 15.562 1.00 0.00 C ATOM 166 CD LYS A 16 3.500 -4.096 15.150 1.00 0.00 C ATOM 167 CE LYS A 16 2.522 -4.949 15.966 1.00 0.00 C ATOM 168 NZ LYS A 16 2.532 -6.292 15.314 1.00 0.00 N ATOM 0 H LYS A 16 2.524 -1.457 18.260 1.00 0.00 H new ATOM 0 HA LYS A 16 5.242 -0.586 17.471 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.225 -2.735 16.651 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.800 -2.928 17.653 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.323 -2.389 15.759 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.696 -1.981 14.749 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.293 -4.205 14.085 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.522 -4.440 15.313 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.833 -5.016 17.008 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.522 -4.516 15.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.884 -6.929 15.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.224 -6.200 14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.495 -6.684 15.342 1.00 0.00 H new ATOM 182 N TYR A 17 2.643 0.336 15.794 1.00 0.00 N ATOM 183 CA TYR A 17 2.226 1.227 14.678 1.00 0.00 C ATOM 184 C TYR A 17 2.651 2.652 15.017 1.00 0.00 C ATOM 185 O TYR A 17 3.036 3.423 14.162 1.00 0.00 O ATOM 186 CB TYR A 17 0.697 1.139 14.634 1.00 0.00 C ATOM 187 CG TYR A 17 0.250 -0.264 14.284 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.191 -1.281 14.078 1.00 0.00 C ATOM 189 CD2 TYR A 17 -1.116 -0.545 14.164 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.766 -2.575 13.755 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.543 -1.838 13.840 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.602 -2.854 13.636 1.00 0.00 C ATOM 193 OH TYR A 17 -1.021 -4.131 13.317 1.00 0.00 O ATOM 0 H TYR A 17 1.886 0.017 16.399 1.00 0.00 H new ATOM 0 HA TYR A 17 2.670 0.946 13.723 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.284 1.427 15.601 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.309 1.844 13.899 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.246 -1.066 14.168 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.843 0.238 14.322 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.493 -3.358 13.597 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.598 -2.052 13.747 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.560 -4.779 13.889 1.00 0.00 H new ATOM 203 N ASP A 18 2.583 2.994 16.275 1.00 0.00 N ATOM 204 CA ASP A 18 2.983 4.365 16.704 1.00 0.00 C ATOM 205 C ASP A 18 4.505 4.480 16.735 1.00 0.00 C ATOM 206 O ASP A 18 5.054 5.556 16.859 1.00 0.00 O ATOM 207 CB ASP A 18 2.406 4.521 18.110 1.00 0.00 C ATOM 208 CG ASP A 18 2.641 5.950 18.605 1.00 0.00 C ATOM 209 OD1 ASP A 18 2.261 6.871 17.900 1.00 0.00 O ATOM 210 OD2 ASP A 18 3.198 6.100 19.680 1.00 0.00 O ATOM 0 H ASP A 18 2.267 2.381 17.026 1.00 0.00 H new ATOM 0 HA ASP A 18 2.618 5.136 16.025 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.339 4.299 18.103 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.876 3.808 18.788 1.00 0.00 H new ATOM 215 N ALA A 19 5.192 3.382 16.593 1.00 0.00 N ATOM 216 CA ALA A 19 6.678 3.435 16.580 1.00 0.00 C ATOM 217 C ALA A 19 7.114 3.531 15.131 1.00 0.00 C ATOM 218 O ALA A 19 8.065 4.204 14.785 1.00 0.00 O ATOM 219 CB ALA A 19 7.143 2.120 17.201 1.00 0.00 C ATOM 0 H ALA A 19 4.789 2.451 16.486 1.00 0.00 H new ATOM 0 HA ALA A 19 7.091 4.281 17.128 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.232 2.093 17.222 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.758 2.042 18.218 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.771 1.285 16.607 1.00 0.00 H new ATOM 225 N ILE A 20 6.381 2.880 14.278 1.00 0.00 N ATOM 226 CA ILE A 20 6.679 2.933 12.836 1.00 0.00 C ATOM 227 C ILE A 20 6.155 4.266 12.306 1.00 0.00 C ATOM 228 O ILE A 20 6.693 4.846 11.384 1.00 0.00 O ATOM 229 CB ILE A 20 5.895 1.759 12.255 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.612 0.449 12.581 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.787 1.916 10.749 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.628 -0.712 12.436 1.00 0.00 C ATOM 0 H ILE A 20 5.576 2.306 14.529 1.00 0.00 H new ATOM 0 HA ILE A 20 7.738 2.865 12.585 1.00 0.00 H new ATOM 0 HB ILE A 20 4.896 1.742 12.691 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.460 0.308 11.911 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.009 0.480 13.596 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.227 1.077 10.335 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.271 2.847 10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.786 1.936 10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.134 -1.649 12.667 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.794 -0.570 13.124 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.253 -0.745 11.413 1.00 0.00 H new ATOM 244 N PHE A 21 5.111 4.761 12.918 1.00 0.00 N ATOM 245 CA PHE A 21 4.543 6.068 12.501 1.00 0.00 C ATOM 246 C PHE A 21 5.471 7.181 12.994 1.00 0.00 C ATOM 247 O PHE A 21 5.723 8.153 12.311 1.00 0.00 O ATOM 248 CB PHE A 21 3.164 6.130 13.182 1.00 0.00 C ATOM 249 CG PHE A 21 2.825 7.551 13.576 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.400 8.108 14.724 1.00 0.00 C ATOM 251 CD2 PHE A 21 1.942 8.308 12.797 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.093 9.422 15.094 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.634 9.623 13.168 1.00 0.00 C ATOM 254 CZ PHE A 21 2.211 10.179 14.316 1.00 0.00 C ATOM 0 H PHE A 21 4.627 4.309 13.694 1.00 0.00 H new ATOM 0 HA PHE A 21 4.447 6.185 11.421 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.401 5.743 12.506 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.160 5.492 14.066 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.081 7.523 15.325 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.499 7.878 11.911 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.537 9.852 15.980 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.952 10.208 12.569 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.975 11.194 14.601 1.00 0.00 H new ATOM 264 N ASP A 22 5.988 7.027 14.179 1.00 0.00 N ATOM 265 CA ASP A 22 6.911 8.051 14.735 1.00 0.00 C ATOM 266 C ASP A 22 8.349 7.733 14.321 1.00 0.00 C ATOM 267 O ASP A 22 9.283 8.406 14.709 1.00 0.00 O ATOM 268 CB ASP A 22 6.747 7.953 16.251 1.00 0.00 C ATOM 269 CG ASP A 22 7.669 8.967 16.933 1.00 0.00 C ATOM 270 OD1 ASP A 22 7.365 10.147 16.872 1.00 0.00 O ATOM 271 OD2 ASP A 22 8.661 8.546 17.503 1.00 0.00 O ATOM 0 H ASP A 22 5.809 6.230 14.790 1.00 0.00 H new ATOM 0 HA ASP A 22 6.690 9.055 14.372 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.710 8.145 16.528 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.986 6.944 16.588 1.00 0.00 H new ATOM 276 N SER A 23 8.531 6.723 13.512 1.00 0.00 N ATOM 277 CA SER A 23 9.901 6.376 13.048 1.00 0.00 C ATOM 278 C SER A 23 10.180 7.134 11.753 1.00 0.00 C ATOM 279 O SER A 23 11.307 7.275 11.320 1.00 0.00 O ATOM 280 CB SER A 23 9.872 4.867 12.805 1.00 0.00 C ATOM 281 OG SER A 23 10.602 4.214 13.834 1.00 0.00 O ATOM 0 H SER A 23 7.787 6.124 13.153 1.00 0.00 H new ATOM 0 HA SER A 23 10.680 6.641 13.763 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.843 4.509 12.789 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.305 4.635 11.832 1.00 0.00 H new ATOM 0 HG SER A 23 9.990 3.949 14.552 1.00 0.00 H new ATOM 287 N LEU A 24 9.142 7.643 11.150 1.00 0.00 N ATOM 288 CA LEU A 24 9.294 8.425 9.893 1.00 0.00 C ATOM 289 C LEU A 24 9.296 9.915 10.238 1.00 0.00 C ATOM 290 O LEU A 24 9.524 10.756 9.391 1.00 0.00 O ATOM 291 CB LEU A 24 8.056 8.107 9.037 1.00 0.00 C ATOM 292 CG LEU A 24 7.419 6.774 9.438 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.270 6.452 8.481 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.462 5.663 9.360 1.00 0.00 C ATOM 0 H LEU A 24 8.182 7.548 11.480 1.00 0.00 H new ATOM 0 HA LEU A 24 10.217 8.178 9.369 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.324 8.907 9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.340 8.073 7.985 1.00 0.00 H new ATOM 0 HG LEU A 24 7.041 6.848 10.458 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.815 5.503 8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.522 7.243 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.653 6.380 7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.006 4.715 9.646 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.841 5.591 8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.285 5.889 10.038 1.00 0.00 H new ATOM 306 N SER A 25 9.009 10.233 11.482 1.00 0.00 N ATOM 307 CA SER A 25 8.948 11.659 11.941 1.00 0.00 C ATOM 308 C SER A 25 7.562 12.228 11.632 1.00 0.00 C ATOM 309 O SER A 25 7.282 12.621 10.518 1.00 0.00 O ATOM 310 CB SER A 25 10.039 12.417 11.179 1.00 0.00 C ATOM 311 OG SER A 25 11.171 11.571 11.014 1.00 0.00 O ATOM 0 H SER A 25 8.811 9.548 12.212 1.00 0.00 H new ATOM 0 HA SER A 25 9.111 11.749 13.015 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.664 12.736 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.320 13.318 11.724 1.00 0.00 H new ATOM 0 HG SER A 25 11.171 11.197 10.108 1.00 0.00 H new ATOM 317 N PRO A 26 6.730 12.227 12.637 1.00 0.00 N ATOM 318 CA PRO A 26 5.344 12.723 12.482 1.00 0.00 C ATOM 319 C PRO A 26 5.321 14.245 12.397 1.00 0.00 C ATOM 320 O PRO A 26 6.111 14.931 13.014 1.00 0.00 O ATOM 321 CB PRO A 26 4.647 12.245 13.751 1.00 0.00 C ATOM 322 CG PRO A 26 5.740 12.092 14.757 1.00 0.00 C ATOM 323 CD PRO A 26 7.006 11.774 14.003 1.00 0.00 C ATOM 0 HA PRO A 26 4.865 12.362 11.572 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.900 12.965 14.086 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.128 11.301 13.585 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.858 13.007 15.337 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.503 11.296 15.463 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.865 12.292 14.429 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.230 10.708 14.032 1.00 0.00 H new ATOM 331 N VAL A 27 4.406 14.769 11.642 1.00 0.00 N ATOM 332 CA VAL A 27 4.299 16.247 11.510 1.00 0.00 C ATOM 333 C VAL A 27 2.957 16.706 12.072 1.00 0.00 C ATOM 334 O VAL A 27 1.939 16.619 11.414 1.00 0.00 O ATOM 335 CB VAL A 27 4.375 16.524 10.011 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.434 18.034 9.783 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.631 15.866 9.432 1.00 0.00 C ATOM 0 H VAL A 27 3.721 14.236 11.106 1.00 0.00 H new ATOM 0 HA VAL A 27 5.083 16.775 12.053 1.00 0.00 H new ATOM 0 HB VAL A 27 3.495 16.114 9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.488 18.239 8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.539 18.500 10.196 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.316 18.442 10.276 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.685 16.064 8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.515 16.275 9.922 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.588 14.790 9.600 1.00 0.00 H new ATOM 347 N ASN A 28 2.941 17.177 13.287 1.00 0.00 N ATOM 348 CA ASN A 28 1.654 17.620 13.889 1.00 0.00 C ATOM 349 C ASN A 28 0.724 16.414 14.045 1.00 0.00 C ATOM 350 O ASN A 28 -0.481 16.545 14.119 1.00 0.00 O ATOM 351 CB ASN A 28 1.078 18.629 12.896 1.00 0.00 C ATOM 352 CG ASN A 28 0.019 19.481 13.594 1.00 0.00 C ATOM 353 OD1 ASN A 28 0.133 20.690 13.650 1.00 0.00 O ATOM 354 ND2 ASN A 28 -1.014 18.897 14.133 1.00 0.00 N ATOM 0 H ASN A 28 3.760 17.274 13.887 1.00 0.00 H new ATOM 0 HA ASN A 28 1.778 18.062 14.878 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.872 19.265 12.505 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.639 18.108 12.045 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.728 19.454 14.602 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.109 17.883 14.085 1.00 0.00 H new ATOM 361 N GLY A 29 1.281 15.234 14.089 1.00 0.00 N ATOM 362 CA GLY A 29 0.439 14.014 14.234 1.00 0.00 C ATOM 363 C GLY A 29 0.092 13.469 12.849 1.00 0.00 C ATOM 364 O GLY A 29 -0.964 12.911 12.635 1.00 0.00 O ATOM 0 H GLY A 29 2.285 15.063 14.031 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.971 13.258 14.812 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.473 14.251 14.783 1.00 0.00 H new ATOM 368 N PHE A 30 0.977 13.633 11.906 1.00 0.00 N ATOM 369 CA PHE A 30 0.703 13.127 10.531 1.00 0.00 C ATOM 370 C PHE A 30 1.993 12.743 9.820 1.00 0.00 C ATOM 371 O PHE A 30 3.049 13.291 10.070 1.00 0.00 O ATOM 372 CB PHE A 30 0.040 14.289 9.798 1.00 0.00 C ATOM 373 CG PHE A 30 -1.309 14.531 10.403 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.391 13.738 10.020 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.475 15.539 11.354 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.651 13.954 10.589 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.730 15.760 11.925 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.821 14.966 11.544 1.00 0.00 C ATOM 0 H PHE A 30 1.878 14.095 12.027 1.00 0.00 H new ATOM 0 HA PHE A 30 0.076 12.235 10.557 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.655 15.185 9.876 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.057 14.060 8.737 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.256 12.958 9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.633 16.148 11.648 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.491 13.342 10.293 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.860 16.541 12.659 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.792 15.134 11.986 1.00 0.00 H new ATOM 388 N LEU A 31 1.899 11.827 8.905 1.00 0.00 N ATOM 389 CA LEU A 31 3.100 11.419 8.129 1.00 0.00 C ATOM 390 C LEU A 31 2.791 11.582 6.645 1.00 0.00 C ATOM 391 O LEU A 31 1.757 11.162 6.169 1.00 0.00 O ATOM 392 CB LEU A 31 3.353 9.950 8.466 1.00 0.00 C ATOM 393 CG LEU A 31 3.991 9.840 9.850 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.833 8.410 10.368 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.479 10.183 9.751 1.00 0.00 C ATOM 0 H LEU A 31 1.038 11.339 8.658 1.00 0.00 H new ATOM 0 HA LEU A 31 3.977 12.021 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.415 9.395 8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.007 9.503 7.717 1.00 0.00 H new ATOM 0 HG LEU A 31 3.502 10.533 10.535 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.287 8.328 11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.774 8.162 10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.325 7.719 9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.937 10.105 10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.968 9.488 9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.594 11.200 9.377 1.00 0.00 H new ATOM 407 N SER A 32 3.665 12.202 5.915 1.00 0.00 N ATOM 408 CA SER A 32 3.405 12.407 4.464 1.00 0.00 C ATOM 409 C SER A 32 3.682 11.124 3.687 1.00 0.00 C ATOM 410 O SER A 32 4.660 10.444 3.924 1.00 0.00 O ATOM 411 CB SER A 32 4.368 13.509 4.031 1.00 0.00 C ATOM 412 OG SER A 32 5.706 13.055 4.195 1.00 0.00 O ATOM 0 H SER A 32 4.550 12.577 6.256 1.00 0.00 H new ATOM 0 HA SER A 32 2.366 12.677 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.188 13.777 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.201 14.408 4.625 1.00 0.00 H new ATOM 0 HG SER A 32 6.327 13.760 3.916 1.00 0.00 H new ATOM 418 N GLY A 33 2.829 10.793 2.761 1.00 0.00 N ATOM 419 CA GLY A 33 3.042 9.555 1.959 1.00 0.00 C ATOM 420 C GLY A 33 4.521 9.452 1.576 1.00 0.00 C ATOM 421 O GLY A 33 5.063 8.375 1.444 1.00 0.00 O ATOM 0 H GLY A 33 1.992 11.326 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.741 8.679 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.422 9.577 1.062 1.00 0.00 H new ATOM 425 N ASP A 34 5.177 10.568 1.407 1.00 0.00 N ATOM 426 CA ASP A 34 6.623 10.537 1.040 1.00 0.00 C ATOM 427 C ASP A 34 7.433 9.820 2.127 1.00 0.00 C ATOM 428 O ASP A 34 8.560 9.421 1.913 1.00 0.00 O ATOM 429 CB ASP A 34 7.035 12.004 0.945 1.00 0.00 C ATOM 430 CG ASP A 34 6.629 12.564 -0.421 1.00 0.00 C ATOM 431 OD1 ASP A 34 6.752 11.842 -1.396 1.00 0.00 O ATOM 432 OD2 ASP A 34 6.204 13.707 -0.469 1.00 0.00 O ATOM 0 H ASP A 34 4.775 11.500 1.507 1.00 0.00 H new ATOM 0 HA ASP A 34 6.802 10.000 0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.560 12.578 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.112 12.099 1.083 1.00 0.00 H new ATOM 437 N LYS A 35 6.865 9.652 3.291 1.00 0.00 N ATOM 438 CA LYS A 35 7.595 8.961 4.393 1.00 0.00 C ATOM 439 C LYS A 35 6.979 7.590 4.615 1.00 0.00 C ATOM 440 O LYS A 35 7.656 6.623 4.909 1.00 0.00 O ATOM 441 CB LYS A 35 7.397 9.857 5.608 1.00 0.00 C ATOM 442 CG LYS A 35 7.757 11.286 5.220 1.00 0.00 C ATOM 443 CD LYS A 35 7.325 12.243 6.330 1.00 0.00 C ATOM 444 CE LYS A 35 8.084 11.911 7.615 1.00 0.00 C ATOM 445 NZ LYS A 35 9.401 12.593 7.470 1.00 0.00 N ATOM 0 H LYS A 35 5.923 9.965 3.527 1.00 0.00 H new ATOM 0 HA LYS A 35 8.653 8.807 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.364 9.807 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.024 9.519 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.831 11.368 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.267 11.554 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.523 13.273 6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.251 12.161 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.548 12.269 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.208 10.835 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.111 12.105 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.696 12.570 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.317 13.581 7.783 1.00 0.00 H new ATOM 459 N VAL A 36 5.694 7.501 4.453 1.00 0.00 N ATOM 460 CA VAL A 36 5.009 6.195 4.626 1.00 0.00 C ATOM 461 C VAL A 36 5.131 5.391 3.338 1.00 0.00 C ATOM 462 O VAL A 36 5.183 4.177 3.350 1.00 0.00 O ATOM 463 CB VAL A 36 3.551 6.548 4.879 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.730 5.262 4.991 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.446 7.360 6.172 1.00 0.00 C ATOM 0 H VAL A 36 5.084 8.281 4.207 1.00 0.00 H new ATOM 0 HA VAL A 36 5.433 5.601 5.436 1.00 0.00 H new ATOM 0 HB VAL A 36 3.163 7.144 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.685 5.512 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.812 4.696 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.108 4.660 5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.403 7.615 6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.829 6.770 7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.032 8.274 6.076 1.00 0.00 H new ATOM 475 N LYS A 37 5.180 6.065 2.222 1.00 0.00 N ATOM 476 CA LYS A 37 5.300 5.344 0.929 1.00 0.00 C ATOM 477 C LYS A 37 6.446 4.333 1.001 1.00 0.00 C ATOM 478 O LYS A 37 6.251 3.167 0.720 1.00 0.00 O ATOM 479 CB LYS A 37 5.583 6.422 -0.119 1.00 0.00 C ATOM 480 CG LYS A 37 5.964 5.761 -1.443 1.00 0.00 C ATOM 481 CD LYS A 37 5.677 6.723 -2.596 1.00 0.00 C ATOM 482 CE LYS A 37 4.301 6.410 -3.192 1.00 0.00 C ATOM 483 NZ LYS A 37 3.678 7.739 -3.447 1.00 0.00 N ATOM 0 H LYS A 37 5.142 7.082 2.152 1.00 0.00 H new ATOM 0 HA LYS A 37 4.398 4.784 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.704 7.051 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.390 7.071 0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.020 5.490 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.399 4.838 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.705 7.753 -2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.447 6.629 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.392 5.834 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.698 5.818 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.731 7.606 -3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.598 8.262 -2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.270 8.278 -4.111 1.00 0.00 H new ATOM 497 N PRO A 38 7.607 4.800 1.397 1.00 0.00 N ATOM 498 CA PRO A 38 8.772 3.892 1.520 1.00 0.00 C ATOM 499 C PRO A 38 8.498 2.868 2.618 1.00 0.00 C ATOM 500 O PRO A 38 8.938 1.737 2.562 1.00 0.00 O ATOM 501 CB PRO A 38 9.921 4.830 1.897 1.00 0.00 C ATOM 502 CG PRO A 38 9.254 6.018 2.506 1.00 0.00 C ATOM 503 CD PRO A 38 7.950 6.180 1.775 1.00 0.00 C ATOM 0 HA PRO A 38 8.992 3.324 0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.605 4.356 2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.507 5.110 1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.087 5.868 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.873 6.909 2.402 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.185 6.626 2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.055 6.823 0.901 1.00 0.00 H new ATOM 511 N VAL A 39 7.752 3.264 3.608 1.00 0.00 N ATOM 512 CA VAL A 39 7.414 2.328 4.717 1.00 0.00 C ATOM 513 C VAL A 39 6.363 1.324 4.244 1.00 0.00 C ATOM 514 O VAL A 39 6.081 0.345 4.903 1.00 0.00 O ATOM 515 CB VAL A 39 6.858 3.225 5.824 1.00 0.00 C ATOM 516 CG1 VAL A 39 5.981 2.404 6.768 1.00 0.00 C ATOM 517 CG2 VAL A 39 8.014 3.850 6.606 1.00 0.00 C ATOM 0 H VAL A 39 7.359 4.201 3.699 1.00 0.00 H new ATOM 0 HA VAL A 39 8.271 1.748 5.060 1.00 0.00 H new ATOM 0 HB VAL A 39 6.255 4.015 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.589 3.050 7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.153 1.969 6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.575 1.607 7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.616 4.489 7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.622 3.061 7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.629 4.446 5.932 1.00 0.00 H new ATOM 527 N LEU A 40 5.793 1.555 3.102 1.00 0.00 N ATOM 528 CA LEU A 40 4.786 0.600 2.573 1.00 0.00 C ATOM 529 C LEU A 40 5.466 -0.287 1.528 1.00 0.00 C ATOM 530 O LEU A 40 4.964 -1.326 1.152 1.00 0.00 O ATOM 531 CB LEU A 40 3.700 1.459 1.932 1.00 0.00 C ATOM 532 CG LEU A 40 2.927 2.209 3.020 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.874 3.110 2.372 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.230 1.209 3.944 1.00 0.00 C ATOM 0 H LEU A 40 5.980 2.364 2.510 1.00 0.00 H new ATOM 0 HA LEU A 40 4.363 -0.045 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.147 2.168 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.020 0.832 1.355 1.00 0.00 H new ATOM 0 HG LEU A 40 3.625 2.815 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.324 3.643 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.364 3.829 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.182 2.501 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.682 1.748 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.536 0.600 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.975 0.565 4.411 1.00 0.00 H new ATOM 546 N LEU A 41 6.621 0.121 1.069 1.00 0.00 N ATOM 547 CA LEU A 41 7.353 -0.688 0.060 1.00 0.00 C ATOM 548 C LEU A 41 8.241 -1.702 0.769 1.00 0.00 C ATOM 549 O LEU A 41 8.284 -2.859 0.402 1.00 0.00 O ATOM 550 CB LEU A 41 8.206 0.308 -0.716 1.00 0.00 C ATOM 551 CG LEU A 41 7.302 1.334 -1.390 1.00 0.00 C ATOM 552 CD1 LEU A 41 8.053 2.658 -1.504 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.923 0.833 -2.786 1.00 0.00 C ATOM 0 H LEU A 41 7.087 0.983 1.353 1.00 0.00 H new ATOM 0 HA LEU A 41 6.680 -1.239 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.903 0.808 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.803 -0.213 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 41 6.396 1.478 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.414 3.398 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.328 3.007 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.955 2.515 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.276 1.564 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.826 0.695 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.396 -0.118 -2.701 1.00 0.00 H new ATOM 565 N ASN A 42 8.945 -1.290 1.792 1.00 0.00 N ATOM 566 CA ASN A 42 9.805 -2.266 2.505 1.00 0.00 C ATOM 567 C ASN A 42 8.984 -3.527 2.786 1.00 0.00 C ATOM 568 O ASN A 42 9.510 -4.614 2.923 1.00 0.00 O ATOM 569 CB ASN A 42 10.217 -1.577 3.808 1.00 0.00 C ATOM 570 CG ASN A 42 9.041 -1.589 4.782 1.00 0.00 C ATOM 571 OD1 ASN A 42 9.152 -2.090 5.883 1.00 0.00 O ATOM 572 ND2 ASN A 42 7.911 -1.054 4.420 1.00 0.00 N ATOM 0 H ASN A 42 8.959 -0.337 2.155 1.00 0.00 H new ATOM 0 HA ASN A 42 10.683 -2.561 1.930 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.073 -2.089 4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.527 -0.551 3.608 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.118 -1.055 5.061 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.819 -0.634 3.495 1.00 0.00 H new ATOM 579 N SER A 43 7.686 -3.381 2.862 1.00 0.00 N ATOM 580 CA SER A 43 6.810 -4.556 3.120 1.00 0.00 C ATOM 581 C SER A 43 6.955 -5.577 1.988 1.00 0.00 C ATOM 582 O SER A 43 6.506 -6.697 2.093 1.00 0.00 O ATOM 583 CB SER A 43 5.392 -3.988 3.150 1.00 0.00 C ATOM 584 OG SER A 43 5.360 -2.857 4.011 1.00 0.00 O ATOM 0 H SER A 43 7.196 -2.493 2.755 1.00 0.00 H new ATOM 0 HA SER A 43 7.064 -5.070 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.080 -3.704 2.145 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.691 -4.746 3.499 1.00 0.00 H new ATOM 0 HG SER A 43 4.947 -2.101 3.543 1.00 0.00 H new ATOM 590 N LYS A 44 7.581 -5.195 0.902 1.00 0.00 N ATOM 591 CA LYS A 44 7.755 -6.139 -0.247 1.00 0.00 C ATOM 592 C LYS A 44 6.426 -6.314 -0.985 1.00 0.00 C ATOM 593 O LYS A 44 6.230 -7.261 -1.722 1.00 0.00 O ATOM 594 CB LYS A 44 8.206 -7.466 0.370 1.00 0.00 C ATOM 595 CG LYS A 44 9.013 -8.258 -0.658 1.00 0.00 C ATOM 596 CD LYS A 44 10.503 -7.970 -0.469 1.00 0.00 C ATOM 597 CE LYS A 44 11.237 -8.188 -1.795 1.00 0.00 C ATOM 598 NZ LYS A 44 11.091 -6.900 -2.526 1.00 0.00 N ATOM 0 H LYS A 44 7.980 -4.267 0.761 1.00 0.00 H new ATOM 0 HA LYS A 44 8.481 -5.770 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.811 -7.280 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.339 -8.044 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.821 -9.325 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.704 -7.985 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.646 -6.945 -0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.916 -8.623 0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.286 -8.433 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.801 -9.014 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.253 -7.057 -3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.131 -6.526 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.786 -6.216 -2.166 1.00 0.00 H new ATOM 612 N LEU A 45 5.512 -5.403 -0.792 1.00 0.00 N ATOM 613 CA LEU A 45 4.192 -5.501 -1.476 1.00 0.00 C ATOM 614 C LEU A 45 4.163 -4.581 -2.694 1.00 0.00 C ATOM 615 O LEU A 45 4.930 -3.641 -2.782 1.00 0.00 O ATOM 616 CB LEU A 45 3.180 -5.048 -0.428 1.00 0.00 C ATOM 617 CG LEU A 45 2.777 -6.248 0.427 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.947 -5.773 1.620 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.952 -7.219 -0.422 1.00 0.00 C ATOM 0 H LEU A 45 5.624 -4.590 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 45 3.980 -6.507 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.611 -4.267 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.303 -4.620 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 45 3.671 -6.753 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.661 -6.631 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.537 -5.082 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.051 -5.267 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.662 -8.077 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.058 -6.714 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.548 -7.558 -1.269 1.00 0.00 H new ATOM 631 N PRO A 46 3.280 -4.886 -3.601 1.00 0.00 N ATOM 632 CA PRO A 46 3.156 -4.080 -4.832 1.00 0.00 C ATOM 633 C PRO A 46 2.501 -2.728 -4.529 1.00 0.00 C ATOM 634 O PRO A 46 1.799 -2.566 -3.551 1.00 0.00 O ATOM 635 CB PRO A 46 2.281 -4.940 -5.739 1.00 0.00 C ATOM 636 CG PRO A 46 1.504 -5.825 -4.821 1.00 0.00 C ATOM 637 CD PRO A 46 2.324 -5.998 -3.566 1.00 0.00 C ATOM 0 HA PRO A 46 4.116 -3.842 -5.290 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.617 -4.323 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.888 -5.526 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.535 -5.383 -4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.310 -6.790 -5.290 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.699 -5.957 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.834 -6.961 -3.554 1.00 0.00 H new ATOM 645 N VAL A 47 2.744 -1.758 -5.365 1.00 0.00 N ATOM 646 CA VAL A 47 2.167 -0.399 -5.152 1.00 0.00 C ATOM 647 C VAL A 47 0.632 -0.458 -5.097 1.00 0.00 C ATOM 648 O VAL A 47 -0.013 0.500 -4.719 1.00 0.00 O ATOM 649 CB VAL A 47 2.654 0.411 -6.361 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.690 1.562 -6.659 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.043 0.982 -6.061 1.00 0.00 C ATOM 0 H VAL A 47 3.325 -1.849 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 47 2.478 0.046 -4.207 1.00 0.00 H new ATOM 0 HB VAL A 47 2.698 -0.246 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.051 2.126 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.700 1.161 -6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.631 2.221 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.392 1.558 -6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.989 1.630 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.738 0.165 -5.865 1.00 0.00 H new ATOM 661 N ASP A 48 0.040 -1.569 -5.446 1.00 0.00 N ATOM 662 CA ASP A 48 -1.441 -1.656 -5.381 1.00 0.00 C ATOM 663 C ASP A 48 -1.851 -1.779 -3.925 1.00 0.00 C ATOM 664 O ASP A 48 -2.791 -1.156 -3.472 1.00 0.00 O ATOM 665 CB ASP A 48 -1.813 -2.915 -6.145 1.00 0.00 C ATOM 666 CG ASP A 48 -2.535 -2.536 -7.438 1.00 0.00 C ATOM 667 OD1 ASP A 48 -3.712 -2.222 -7.366 1.00 0.00 O ATOM 668 OD2 ASP A 48 -1.899 -2.566 -8.478 1.00 0.00 O ATOM 0 H ASP A 48 0.516 -2.411 -5.770 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.936 -0.782 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.917 -3.492 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.453 -3.549 -5.532 1.00 0.00 H new ATOM 673 N ILE A 49 -1.126 -2.561 -3.179 1.00 0.00 N ATOM 674 CA ILE A 49 -1.452 -2.697 -1.739 1.00 0.00 C ATOM 675 C ILE A 49 -1.241 -1.345 -1.084 1.00 0.00 C ATOM 676 O ILE A 49 -2.046 -0.868 -0.310 1.00 0.00 O ATOM 677 CB ILE A 49 -0.459 -3.705 -1.157 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.319 -4.921 -2.075 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.959 -4.155 0.213 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.702 -5.449 -2.457 1.00 0.00 C ATOM 0 H ILE A 49 -0.328 -3.107 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.478 -3.027 -1.577 1.00 0.00 H new ATOM 0 HB ILE A 49 0.518 -3.230 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.236 -4.648 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.252 -5.702 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.259 -4.874 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.037 -3.291 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.939 -4.621 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.593 -6.315 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.242 -5.740 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.258 -4.669 -2.977 1.00 0.00 H new ATOM 692 N LEU A 50 -0.147 -0.726 -1.414 1.00 0.00 N ATOM 693 CA LEU A 50 0.166 0.610 -0.847 1.00 0.00 C ATOM 694 C LEU A 50 -0.837 1.639 -1.368 1.00 0.00 C ATOM 695 O LEU A 50 -0.989 2.709 -0.814 1.00 0.00 O ATOM 696 CB LEU A 50 1.581 0.921 -1.343 1.00 0.00 C ATOM 697 CG LEU A 50 2.476 -0.320 -1.207 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.939 0.118 -1.156 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.129 -1.085 0.077 1.00 0.00 C ATOM 0 H LEU A 50 0.552 -1.093 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 50 0.107 0.634 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.547 1.241 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.002 1.747 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 50 2.313 -0.973 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.578 -0.759 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.191 0.652 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.093 0.775 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.770 -1.962 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.284 -0.437 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.086 -1.400 0.042 1.00 0.00 H new ATOM 711 N GLY A 51 -1.539 1.316 -2.423 1.00 0.00 N ATOM 712 CA GLY A 51 -2.543 2.273 -2.960 1.00 0.00 C ATOM 713 C GLY A 51 -3.858 2.060 -2.214 1.00 0.00 C ATOM 714 O GLY A 51 -4.614 2.985 -1.976 1.00 0.00 O ATOM 0 H GLY A 51 -1.459 0.435 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.196 3.298 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.684 2.115 -4.029 1.00 0.00 H new ATOM 718 N ARG A 52 -4.126 0.842 -1.826 1.00 0.00 N ATOM 719 CA ARG A 52 -5.376 0.553 -1.082 1.00 0.00 C ATOM 720 C ARG A 52 -5.109 0.638 0.413 1.00 0.00 C ATOM 721 O ARG A 52 -5.774 1.352 1.136 1.00 0.00 O ATOM 722 CB ARG A 52 -5.754 -0.870 -1.472 1.00 0.00 C ATOM 723 CG ARG A 52 -7.013 -0.837 -2.336 1.00 0.00 C ATOM 724 CD ARG A 52 -7.495 -2.265 -2.592 1.00 0.00 C ATOM 725 NE ARG A 52 -7.155 -2.537 -4.017 1.00 0.00 N ATOM 726 CZ ARG A 52 -5.938 -2.343 -4.447 1.00 0.00 C ATOM 727 NH1 ARG A 52 -5.017 -3.239 -4.222 1.00 0.00 N ATOM 728 NH2 ARG A 52 -5.642 -1.250 -5.097 1.00 0.00 N ATOM 0 H ARG A 52 -3.527 0.034 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.172 1.260 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.936 -1.339 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.927 -1.471 -0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.794 -0.262 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.804 -0.337 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.002 -2.973 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.567 -2.357 -2.417 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.874 -2.875 -4.657 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.248 -4.091 -3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.066 -3.088 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.362 -0.548 -5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.691 -1.098 -5.433 1.00 0.00 H new ATOM 742 N VAL A 53 -4.132 -0.080 0.883 1.00 0.00 N ATOM 743 CA VAL A 53 -3.823 -0.027 2.329 1.00 0.00 C ATOM 744 C VAL A 53 -3.761 1.430 2.777 1.00 0.00 C ATOM 745 O VAL A 53 -4.104 1.758 3.893 1.00 0.00 O ATOM 746 CB VAL A 53 -2.464 -0.701 2.475 1.00 0.00 C ATOM 747 CG1 VAL A 53 -1.880 -0.379 3.851 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.640 -2.214 2.337 1.00 0.00 C ATOM 0 H VAL A 53 -3.538 -0.698 0.329 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.576 -0.523 2.941 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.787 -0.337 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.908 -0.861 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.763 0.700 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.552 -0.746 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.672 -2.704 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.314 -2.574 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.060 -2.444 1.358 1.00 0.00 H new ATOM 758 N TRP A 54 -3.338 2.311 1.909 1.00 0.00 N ATOM 759 CA TRP A 54 -3.270 3.751 2.290 1.00 0.00 C ATOM 760 C TRP A 54 -4.673 4.348 2.334 1.00 0.00 C ATOM 761 O TRP A 54 -5.117 4.842 3.351 1.00 0.00 O ATOM 762 CB TRP A 54 -2.452 4.439 1.202 1.00 0.00 C ATOM 763 CG TRP A 54 -2.574 5.918 1.383 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.664 6.653 1.061 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.602 6.848 1.939 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.417 7.979 1.381 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.158 8.148 1.922 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.302 6.689 2.447 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.449 9.253 2.395 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.416 7.798 2.924 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.157 9.078 2.897 1.00 0.00 C ATOM 0 H TRP A 54 -3.038 2.097 0.958 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.821 3.880 3.275 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.407 4.134 1.263 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.812 4.147 0.215 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.575 6.270 0.627 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.084 8.737 1.235 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.148 5.708 2.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.896 10.236 2.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.414 7.664 3.314 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.400 9.927 3.264 1.00 0.00 H new ATOM 782 N GLU A 55 -5.374 4.310 1.239 1.00 0.00 N ATOM 783 CA GLU A 55 -6.748 4.881 1.224 1.00 0.00 C ATOM 784 C GLU A 55 -7.526 4.374 2.443 1.00 0.00 C ATOM 785 O GLU A 55 -8.180 5.126 3.137 1.00 0.00 O ATOM 786 CB GLU A 55 -7.357 4.403 -0.100 1.00 0.00 C ATOM 787 CG GLU A 55 -8.138 3.110 0.104 1.00 0.00 C ATOM 788 CD GLU A 55 -8.877 2.745 -1.185 1.00 0.00 C ATOM 789 OE1 GLU A 55 -8.792 3.512 -2.130 1.00 0.00 O ATOM 790 OE2 GLU A 55 -9.515 1.705 -1.205 1.00 0.00 O ATOM 0 H GLU A 55 -5.058 3.910 0.356 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.768 5.969 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.016 5.173 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.567 4.245 -0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.460 2.305 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.849 3.229 0.921 1.00 0.00 H new ATOM 797 N LEU A 56 -7.441 3.103 2.708 1.00 0.00 N ATOM 798 CA LEU A 56 -8.156 2.534 3.889 1.00 0.00 C ATOM 799 C LEU A 56 -7.399 2.900 5.174 1.00 0.00 C ATOM 800 O LEU A 56 -7.891 2.728 6.271 1.00 0.00 O ATOM 801 CB LEU A 56 -8.146 1.017 3.674 1.00 0.00 C ATOM 802 CG LEU A 56 -8.790 0.678 2.325 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.006 -0.453 1.656 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.238 0.229 2.543 1.00 0.00 C ATOM 0 H LEU A 56 -6.907 2.429 2.159 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.171 2.919 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.122 0.643 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.688 0.523 4.480 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.776 1.562 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.463 -0.695 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.975 -0.137 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.020 -1.334 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.693 -0.011 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.253 -0.654 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.800 1.032 3.020 1.00 0.00 H new ATOM 816 N SER A 57 -6.198 3.401 5.031 1.00 0.00 N ATOM 817 CA SER A 57 -5.377 3.786 6.220 1.00 0.00 C ATOM 818 C SER A 57 -5.456 5.291 6.468 1.00 0.00 C ATOM 819 O SER A 57 -5.459 5.749 7.592 1.00 0.00 O ATOM 820 CB SER A 57 -3.951 3.411 5.839 1.00 0.00 C ATOM 821 OG SER A 57 -3.045 4.186 6.613 1.00 0.00 O ATOM 0 H SER A 57 -5.746 3.562 4.131 1.00 0.00 H new ATOM 0 HA SER A 57 -5.722 3.291 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.782 2.349 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.786 3.589 4.776 1.00 0.00 H new ATOM 0 HG SER A 57 -3.317 4.163 7.554 1.00 0.00 H new ATOM 827 N ASP A 58 -5.513 6.061 5.420 1.00 0.00 N ATOM 828 CA ASP A 58 -5.582 7.538 5.578 1.00 0.00 C ATOM 829 C ASP A 58 -7.023 7.953 5.842 1.00 0.00 C ATOM 830 O ASP A 58 -7.764 8.280 4.936 1.00 0.00 O ATOM 831 CB ASP A 58 -5.093 8.106 4.247 1.00 0.00 C ATOM 832 CG ASP A 58 -4.648 9.555 4.448 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.830 10.063 5.543 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.134 10.133 3.504 1.00 0.00 O ATOM 0 H ASP A 58 -5.515 5.729 4.456 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.981 7.900 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.265 7.509 3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.889 8.058 3.504 1.00 0.00 H new ATOM 839 N ILE A 59 -7.427 7.936 7.076 1.00 0.00 N ATOM 840 CA ILE A 59 -8.824 8.322 7.394 1.00 0.00 C ATOM 841 C ILE A 59 -9.144 9.674 6.757 1.00 0.00 C ATOM 842 O ILE A 59 -10.244 9.917 6.303 1.00 0.00 O ATOM 843 CB ILE A 59 -8.878 8.424 8.918 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.521 7.069 9.543 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.288 8.828 9.344 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.618 6.050 9.238 1.00 0.00 C ATOM 0 H ILE A 59 -6.853 7.672 7.877 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.549 7.603 7.013 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.162 9.173 9.258 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.567 6.718 9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.402 7.176 10.621 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.333 8.902 10.431 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.539 9.793 8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -11.001 8.077 9.002 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.358 5.090 9.685 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.564 6.399 9.653 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.716 5.933 8.159 1.00 0.00 H new ATOM 858 N ASP A 60 -8.183 10.555 6.725 1.00 0.00 N ATOM 859 CA ASP A 60 -8.417 11.899 6.123 1.00 0.00 C ATOM 860 C ASP A 60 -8.078 11.886 4.630 1.00 0.00 C ATOM 861 O ASP A 60 -8.462 12.775 3.897 1.00 0.00 O ATOM 862 CB ASP A 60 -7.469 12.837 6.870 1.00 0.00 C ATOM 863 CG ASP A 60 -7.539 12.550 8.371 1.00 0.00 C ATOM 864 OD1 ASP A 60 -8.497 11.921 8.788 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.632 12.963 9.075 1.00 0.00 O ATOM 0 H ASP A 60 -7.243 10.402 7.091 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.459 12.208 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.449 12.701 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.740 13.875 6.675 1.00 0.00 H new ATOM 870 N HIS A 61 -7.345 10.897 4.185 1.00 0.00 N ATOM 871 CA HIS A 61 -6.958 10.827 2.743 1.00 0.00 C ATOM 872 C HIS A 61 -6.604 12.227 2.249 1.00 0.00 C ATOM 873 O HIS A 61 -6.941 12.623 1.151 1.00 0.00 O ATOM 874 CB HIS A 61 -8.184 10.270 2.009 1.00 0.00 C ATOM 875 CG HIS A 61 -9.300 11.276 2.037 1.00 0.00 C ATOM 876 ND1 HIS A 61 -9.365 12.335 1.144 1.00 0.00 N ATOM 877 CD2 HIS A 61 -10.402 11.399 2.845 1.00 0.00 C ATOM 878 CE1 HIS A 61 -10.471 13.042 1.434 1.00 0.00 C ATOM 879 NE2 HIS A 61 -11.141 12.516 2.463 1.00 0.00 N ATOM 0 H HIS A 61 -6.996 10.131 4.761 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.087 10.194 2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.924 10.032 0.978 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.508 9.341 2.478 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -8.696 12.540 0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.658 10.731 3.654 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.780 13.928 0.900 1.00 0.00 H new ATOM 887 N ASP A 62 -5.931 12.980 3.073 1.00 0.00 N ATOM 888 CA ASP A 62 -5.548 14.365 2.692 1.00 0.00 C ATOM 889 C ASP A 62 -4.101 14.394 2.188 1.00 0.00 C ATOM 890 O ASP A 62 -3.636 15.386 1.660 1.00 0.00 O ATOM 891 CB ASP A 62 -5.707 15.168 3.988 1.00 0.00 C ATOM 892 CG ASP A 62 -4.453 15.023 4.857 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.267 13.955 5.418 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.704 15.982 4.947 1.00 0.00 O ATOM 0 H ASP A 62 -5.628 12.691 4.003 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.157 14.771 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.877 16.219 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.581 14.818 4.537 1.00 0.00 H new ATOM 899 N GLY A 63 -3.386 13.313 2.344 1.00 0.00 N ATOM 900 CA GLY A 63 -1.974 13.281 1.871 1.00 0.00 C ATOM 901 C GLY A 63 -1.051 12.844 3.012 1.00 0.00 C ATOM 902 O GLY A 63 0.155 12.820 2.867 1.00 0.00 O ATOM 0 H GLY A 63 -3.719 12.452 2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.878 12.593 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.680 14.267 1.511 1.00 0.00 H new ATOM 906 N MET A 64 -1.602 12.492 4.144 1.00 0.00 N ATOM 907 CA MET A 64 -0.736 12.052 5.281 1.00 0.00 C ATOM 908 C MET A 64 -1.472 11.032 6.151 1.00 0.00 C ATOM 909 O MET A 64 -2.682 10.933 6.127 1.00 0.00 O ATOM 910 CB MET A 64 -0.427 13.305 6.113 1.00 0.00 C ATOM 911 CG MET A 64 -0.372 14.549 5.228 1.00 0.00 C ATOM 912 SD MET A 64 0.480 15.874 6.118 1.00 0.00 S ATOM 913 CE MET A 64 2.137 15.152 6.060 1.00 0.00 C ATOM 0 H MET A 64 -2.605 12.489 4.331 1.00 0.00 H new ATOM 0 HA MET A 64 0.175 11.582 4.910 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.190 13.434 6.881 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.525 13.178 6.628 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.150 14.325 4.298 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.380 14.864 4.960 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.876 15.918 6.297 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.207 14.343 6.787 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.328 14.760 5.061 1.00 0.00 H new ATOM 923 N LEU A 65 -0.742 10.281 6.929 1.00 0.00 N ATOM 924 CA LEU A 65 -1.384 9.271 7.817 1.00 0.00 C ATOM 925 C LEU A 65 -1.203 9.685 9.280 1.00 0.00 C ATOM 926 O LEU A 65 -0.105 9.679 9.799 1.00 0.00 O ATOM 927 CB LEU A 65 -0.628 7.968 7.542 1.00 0.00 C ATOM 928 CG LEU A 65 -1.077 7.378 6.207 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.325 6.068 5.953 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.581 7.102 6.251 1.00 0.00 C ATOM 0 H LEU A 65 0.275 10.324 6.988 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.454 9.171 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.445 8.157 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.812 7.254 8.345 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.861 8.084 5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.644 5.644 5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.747 6.264 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.542 5.362 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.902 6.681 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.798 6.395 7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.117 8.033 6.435 1.00 0.00 H new ATOM 942 N ASP A 66 -2.261 10.041 9.955 1.00 0.00 N ATOM 943 CA ASP A 66 -2.116 10.449 11.379 1.00 0.00 C ATOM 944 C ASP A 66 -1.756 9.237 12.239 1.00 0.00 C ATOM 945 O ASP A 66 -1.850 8.103 11.811 1.00 0.00 O ATOM 946 CB ASP A 66 -3.480 11.003 11.784 1.00 0.00 C ATOM 947 CG ASP A 66 -3.327 11.903 13.010 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.474 11.612 13.831 1.00 0.00 O ATOM 949 OD2 ASP A 66 -4.067 12.868 13.108 1.00 0.00 O ATOM 0 H ASP A 66 -3.211 10.067 9.586 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.325 11.186 11.514 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.914 11.567 10.958 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.165 10.184 12.005 1.00 0.00 H new ATOM 954 N ARG A 67 -1.343 9.475 13.448 1.00 0.00 N ATOM 955 CA ARG A 67 -0.967 8.345 14.351 1.00 0.00 C ATOM 956 C ARG A 67 -1.966 7.193 14.233 1.00 0.00 C ATOM 957 O ARG A 67 -1.593 6.038 14.163 1.00 0.00 O ATOM 958 CB ARG A 67 -1.016 8.937 15.756 1.00 0.00 C ATOM 959 CG ARG A 67 -2.384 9.577 15.991 1.00 0.00 C ATOM 960 CD ARG A 67 -2.244 10.732 16.984 1.00 0.00 C ATOM 961 NE ARG A 67 -3.056 10.322 18.163 1.00 0.00 N ATOM 962 CZ ARG A 67 -4.358 10.274 18.075 1.00 0.00 C ATOM 963 NH1 ARG A 67 -4.993 11.128 17.317 1.00 0.00 N ATOM 964 NH2 ARG A 67 -5.023 9.374 18.746 1.00 0.00 N ATOM 0 H ARG A 67 -1.247 10.405 13.856 1.00 0.00 H new ATOM 0 HA ARG A 67 0.012 7.936 14.101 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.835 8.158 16.497 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.229 9.681 15.876 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.793 9.941 15.049 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.083 8.835 16.377 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.202 10.893 17.259 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.609 11.666 16.558 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.595 10.079 19.040 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.472 11.832 16.794 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.010 11.091 17.248 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.526 8.709 19.338 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.040 9.335 18.678 1.00 0.00 H new ATOM 978 N ASP A 68 -3.230 7.498 14.221 1.00 0.00 N ATOM 979 CA ASP A 68 -4.261 6.426 14.118 1.00 0.00 C ATOM 980 C ASP A 68 -4.373 5.941 12.676 1.00 0.00 C ATOM 981 O ASP A 68 -4.465 4.761 12.404 1.00 0.00 O ATOM 982 CB ASP A 68 -5.565 7.094 14.551 1.00 0.00 C ATOM 983 CG ASP A 68 -5.772 8.386 13.756 1.00 0.00 C ATOM 984 OD1 ASP A 68 -4.897 9.235 13.808 1.00 0.00 O ATOM 985 OD2 ASP A 68 -6.800 8.504 13.110 1.00 0.00 O ATOM 0 H ASP A 68 -3.598 8.448 14.278 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.017 5.559 14.731 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.403 6.417 14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.536 7.313 15.618 1.00 0.00 H new ATOM 990 N GLU A 69 -4.368 6.853 11.755 1.00 0.00 N ATOM 991 CA GLU A 69 -4.479 6.467 10.318 1.00 0.00 C ATOM 992 C GLU A 69 -3.292 5.594 9.925 1.00 0.00 C ATOM 993 O GLU A 69 -3.446 4.540 9.338 1.00 0.00 O ATOM 994 CB GLU A 69 -4.449 7.783 9.551 1.00 0.00 C ATOM 995 CG GLU A 69 -5.537 8.707 10.093 1.00 0.00 C ATOM 996 CD GLU A 69 -5.674 9.929 9.183 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.991 9.743 8.018 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.460 11.029 9.665 1.00 0.00 O ATOM 0 H GLU A 69 -4.292 7.855 11.930 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.384 5.897 10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.471 8.254 9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.606 7.601 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.486 8.174 10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.289 9.022 11.107 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.106 6.021 10.253 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.910 5.213 9.907 1.00 0.00 C ATOM 1007 C PHE A 70 -1.025 3.836 10.554 1.00 0.00 C ATOM 1008 O PHE A 70 -0.474 2.866 10.078 1.00 0.00 O ATOM 1009 CB PHE A 70 0.272 5.983 10.492 1.00 0.00 C ATOM 1010 CG PHE A 70 1.555 5.327 10.053 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.057 4.230 10.763 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.239 5.809 8.933 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.244 3.615 10.349 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.427 5.196 8.521 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.928 4.098 9.229 1.00 0.00 C ATOM 0 H PHE A 70 -1.915 6.894 10.745 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.799 5.062 8.833 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.247 7.020 10.158 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.210 5.997 11.580 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.529 3.859 11.629 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.850 6.655 8.386 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.632 2.767 10.894 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.957 5.570 7.657 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.844 3.623 8.910 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.746 3.743 11.636 1.00 0.00 N ATOM 1026 CA ALA A 71 -1.901 2.425 12.311 1.00 0.00 C ATOM 1027 C ALA A 71 -2.705 1.484 11.420 1.00 0.00 C ATOM 1028 O ALA A 71 -2.351 0.337 11.220 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.663 2.728 13.602 1.00 0.00 C ATOM 0 H ALA A 71 -2.233 4.521 12.081 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.945 1.941 12.512 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.818 1.804 14.159 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.086 3.425 14.210 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.629 3.171 13.359 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.782 1.967 10.878 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.617 1.116 9.990 1.00 0.00 C ATOM 1037 C VAL A 72 -3.796 0.653 8.785 1.00 0.00 C ATOM 1038 O VAL A 72 -4.103 -0.340 8.157 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.765 2.018 9.538 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.680 1.245 8.588 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.571 2.475 10.757 1.00 0.00 C ATOM 0 H VAL A 72 -4.123 2.919 11.011 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.978 0.221 10.496 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.357 2.888 9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.498 1.889 8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.110 0.921 7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.085 0.373 9.102 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.389 3.118 10.432 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.977 1.604 11.272 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.922 3.028 11.436 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.758 1.371 8.453 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.925 0.973 7.280 1.00 0.00 C ATOM 1053 C ALA A 73 -0.801 0.027 7.704 1.00 0.00 C ATOM 1054 O ALA A 73 -0.069 -0.482 6.879 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.338 2.279 6.755 1.00 0.00 C ATOM 0 H ALA A 73 -2.451 2.213 8.940 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.513 0.446 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.710 2.073 5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.146 2.951 6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.738 2.748 7.535 1.00 0.00 H new ATOM 1061 N MET A 74 -0.648 -0.213 8.977 1.00 0.00 N ATOM 1062 CA MET A 74 0.445 -1.127 9.421 1.00 0.00 C ATOM 1063 C MET A 74 -0.058 -2.562 9.457 1.00 0.00 C ATOM 1064 O MET A 74 0.595 -3.466 8.972 1.00 0.00 O ATOM 1065 CB MET A 74 0.844 -0.644 10.821 1.00 0.00 C ATOM 1066 CG MET A 74 1.332 0.827 10.809 1.00 0.00 C ATOM 1067 SD MET A 74 1.635 1.443 9.122 1.00 0.00 S ATOM 1068 CE MET A 74 3.076 0.421 8.748 1.00 0.00 C ATOM 0 H MET A 74 -1.224 0.178 9.722 1.00 0.00 H new ATOM 0 HA MET A 74 1.298 -1.110 8.742 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.008 -0.738 11.494 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.633 -1.285 11.215 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.588 1.458 11.295 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.249 0.908 11.393 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.927 1.062 8.516 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.315 -0.201 9.611 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.858 -0.216 7.891 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.222 -2.788 9.991 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.745 -4.177 10.004 1.00 0.00 C ATOM 1080 C PHE A 75 -2.240 -4.500 8.593 1.00 0.00 C ATOM 1081 O PHE A 75 -2.260 -5.637 8.169 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.875 -4.196 11.044 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.179 -3.776 10.417 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.941 -4.701 9.693 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.624 -2.462 10.564 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.151 -4.306 9.113 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.831 -2.067 9.987 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.597 -2.988 9.260 1.00 0.00 C ATOM 0 H PHE A 75 -1.826 -2.083 10.413 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.001 -4.927 10.271 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.973 -5.197 11.464 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.629 -3.527 11.868 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.595 -5.718 9.583 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.035 -1.751 11.124 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.740 -5.017 8.553 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.176 -1.050 10.101 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.531 -2.681 8.813 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.600 -3.483 7.851 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.054 -3.699 6.450 1.00 0.00 C ATOM 1100 C LEU A 76 -1.857 -4.122 5.603 1.00 0.00 C ATOM 1101 O LEU A 76 -1.988 -4.835 4.627 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.592 -2.346 5.986 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.120 -2.369 6.029 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.664 -0.966 5.763 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.642 -3.325 4.954 1.00 0.00 C ATOM 0 H LEU A 76 -2.598 -2.511 8.159 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.814 -4.476 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.211 -1.551 6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.248 -2.133 4.974 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.449 -2.704 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.753 -0.986 5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.292 -0.281 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.336 -0.629 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.731 -3.344 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.310 -2.986 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.257 -4.327 5.141 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.687 -3.695 5.986 1.00 0.00 N ATOM 1118 CA VAL A 77 0.535 -4.074 5.231 1.00 0.00 C ATOM 1119 C VAL A 77 1.092 -5.378 5.799 1.00 0.00 C ATOM 1120 O VAL A 77 1.696 -6.163 5.099 1.00 0.00 O ATOM 1121 CB VAL A 77 1.511 -2.912 5.454 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.899 -3.288 4.926 1.00 0.00 C ATOM 1123 CG2 VAL A 77 1.006 -1.676 4.707 1.00 0.00 C ATOM 0 H VAL A 77 -0.525 -3.096 6.795 1.00 0.00 H new ATOM 0 HA VAL A 77 0.350 -4.239 4.169 1.00 0.00 H new ATOM 0 HB VAL A 77 1.577 -2.699 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.587 -2.458 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.263 -4.169 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.836 -3.505 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.698 -0.848 4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.940 -1.897 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.020 -1.401 5.083 1.00 0.00 H new ATOM 1133 N TYR A 78 0.880 -5.618 7.065 1.00 0.00 N ATOM 1134 CA TYR A 78 1.385 -6.876 7.684 1.00 0.00 C ATOM 1135 C TYR A 78 0.458 -8.046 7.353 1.00 0.00 C ATOM 1136 O TYR A 78 0.866 -9.191 7.346 1.00 0.00 O ATOM 1137 CB TYR A 78 1.387 -6.602 9.185 1.00 0.00 C ATOM 1138 CG TYR A 78 2.787 -6.257 9.618 1.00 0.00 C ATOM 1139 CD1 TYR A 78 3.861 -7.049 9.193 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.016 -5.144 10.436 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.164 -6.728 9.588 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.319 -4.823 10.832 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.394 -5.615 10.409 1.00 0.00 C ATOM 1144 OH TYR A 78 6.680 -5.300 10.801 1.00 0.00 O ATOM 0 H TYR A 78 0.378 -4.995 7.698 1.00 0.00 H new ATOM 0 HA TYR A 78 2.374 -7.147 7.315 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.708 -5.782 9.419 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.030 -7.477 9.728 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.683 -7.907 8.561 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.187 -4.533 10.761 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.993 -7.338 9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.496 -3.965 11.464 1.00 0.00 H new ATOM 0 HH TYR A 78 6.663 -4.500 11.366 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.785 -7.770 7.077 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.733 -8.871 6.745 1.00 0.00 C ATOM 1156 C CYS A 79 -1.678 -9.181 5.248 1.00 0.00 C ATOM 1157 O CYS A 79 -2.221 -10.167 4.790 1.00 0.00 O ATOM 1158 CB CYS A 79 -3.111 -8.342 7.129 1.00 0.00 C ATOM 1159 SG CYS A 79 -4.107 -9.693 7.807 1.00 0.00 S ATOM 0 H CYS A 79 -1.186 -6.832 7.067 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.491 -9.794 7.272 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.014 -7.543 7.864 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.605 -7.914 6.256 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.281 -9.243 8.137 1.00 0.00 H new ATOM 1165 N ALA A 80 -1.025 -8.349 4.484 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.932 -8.601 3.019 1.00 0.00 C ATOM 1167 C ALA A 80 0.241 -9.535 2.732 1.00 0.00 C ATOM 1168 O ALA A 80 0.318 -10.162 1.694 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.686 -7.225 2.398 1.00 0.00 C ATOM 0 H ALA A 80 -0.552 -7.506 4.811 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.828 -9.073 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.605 -7.324 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.517 -6.562 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.239 -6.807 2.794 1.00 0.00 H new ATOM 1175 N LEU A 81 1.157 -9.617 3.649 1.00 0.00 N ATOM 1176 CA LEU A 81 2.346 -10.494 3.456 1.00 0.00 C ATOM 1177 C LEU A 81 2.096 -11.873 4.040 1.00 0.00 C ATOM 1178 O LEU A 81 2.537 -12.876 3.514 1.00 0.00 O ATOM 1179 CB LEU A 81 3.465 -9.810 4.222 1.00 0.00 C ATOM 1180 CG LEU A 81 3.478 -8.325 3.901 1.00 0.00 C ATOM 1181 CD1 LEU A 81 3.833 -7.568 5.168 1.00 0.00 C ATOM 1182 CD2 LEU A 81 4.515 -8.058 2.819 1.00 0.00 C ATOM 0 H LEU A 81 1.136 -9.110 4.534 1.00 0.00 H new ATOM 0 HA LEU A 81 2.580 -10.629 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.328 -9.958 5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.424 -10.256 3.958 1.00 0.00 H new ATOM 0 HG LEU A 81 2.503 -7.999 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.848 -6.498 4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.090 -7.778 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.816 -7.884 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.530 -6.994 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.499 -8.365 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.260 -8.624 1.923 1.00 0.00 H new ATOM 1194 N GLU A 82 1.400 -11.929 5.135 1.00 0.00 N ATOM 1195 CA GLU A 82 1.133 -13.242 5.763 1.00 0.00 C ATOM 1196 C GLU A 82 0.234 -14.050 4.844 1.00 0.00 C ATOM 1197 O GLU A 82 0.524 -15.183 4.515 1.00 0.00 O ATOM 1198 CB GLU A 82 0.412 -12.919 7.073 1.00 0.00 C ATOM 1199 CG GLU A 82 1.407 -12.959 8.235 1.00 0.00 C ATOM 1200 CD GLU A 82 0.646 -12.867 9.559 1.00 0.00 C ATOM 1201 OE1 GLU A 82 -0.571 -12.955 9.528 1.00 0.00 O ATOM 1202 OE2 GLU A 82 1.292 -12.710 10.582 1.00 0.00 O ATOM 0 H GLU A 82 1.006 -11.123 5.620 1.00 0.00 H new ATOM 0 HA GLU A 82 2.038 -13.823 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.050 -11.934 7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.390 -13.637 7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.987 -13.881 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.114 -12.134 8.151 1.00 0.00 H new ATOM 1209 N LYS A 83 -0.847 -13.472 4.406 1.00 0.00 N ATOM 1210 CA LYS A 83 -1.746 -14.229 3.480 1.00 0.00 C ATOM 1211 C LYS A 83 -3.041 -13.468 3.160 1.00 0.00 C ATOM 1212 O LYS A 83 -3.718 -13.770 2.198 1.00 0.00 O ATOM 1213 CB LYS A 83 -2.064 -15.528 4.210 1.00 0.00 C ATOM 1214 CG LYS A 83 -1.305 -16.683 3.551 1.00 0.00 C ATOM 1215 CD LYS A 83 -2.260 -17.852 3.304 1.00 0.00 C ATOM 1216 CE LYS A 83 -1.456 -19.088 2.892 1.00 0.00 C ATOM 1217 NZ LYS A 83 -2.464 -20.177 2.759 1.00 0.00 N ATOM 0 H LYS A 83 -1.148 -12.526 4.641 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.258 -14.390 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.783 -15.446 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.137 -15.720 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.867 -16.353 2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.482 -17.002 4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.835 -18.063 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.975 -17.593 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.929 -18.921 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.703 -19.336 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.988 -21.058 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.945 -20.318 3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.164 -19.916 2.035 1.00 0.00 H new ATOM 1231 N GLU A 84 -3.419 -12.517 3.968 1.00 0.00 N ATOM 1232 CA GLU A 84 -4.701 -11.792 3.704 1.00 0.00 C ATOM 1233 C GLU A 84 -4.499 -10.641 2.717 1.00 0.00 C ATOM 1234 O GLU A 84 -3.692 -9.768 2.945 1.00 0.00 O ATOM 1235 CB GLU A 84 -5.135 -11.258 5.068 1.00 0.00 C ATOM 1236 CG GLU A 84 -5.847 -12.367 5.848 1.00 0.00 C ATOM 1237 CD GLU A 84 -7.057 -12.859 5.051 1.00 0.00 C ATOM 1238 OE1 GLU A 84 -7.844 -12.027 4.630 1.00 0.00 O ATOM 1239 OE2 GLU A 84 -7.178 -14.060 4.876 1.00 0.00 O ATOM 0 H GLU A 84 -2.904 -12.210 4.793 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.448 -12.446 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.267 -10.906 5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.800 -10.404 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.161 -13.193 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.167 -11.994 6.821 1.00 0.00 H new ATOM 1246 N PRO A 85 -5.259 -10.671 1.652 1.00 0.00 N ATOM 1247 CA PRO A 85 -5.166 -9.607 0.624 1.00 0.00 C ATOM 1248 C PRO A 85 -5.749 -8.302 1.172 1.00 0.00 C ATOM 1249 O PRO A 85 -6.184 -8.236 2.305 1.00 0.00 O ATOM 1250 CB PRO A 85 -6.003 -10.149 -0.534 1.00 0.00 C ATOM 1251 CG PRO A 85 -6.956 -11.111 0.097 1.00 0.00 C ATOM 1252 CD PRO A 85 -6.267 -11.682 1.310 1.00 0.00 C ATOM 0 HA PRO A 85 -4.144 -9.380 0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.533 -9.347 -1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.377 -10.643 -1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.881 -10.608 0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.225 -11.903 -0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.968 -11.841 2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.808 -12.646 1.092 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.757 -7.262 0.388 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.307 -5.969 0.885 1.00 0.00 C ATOM 1262 C VAL A 86 -7.340 -5.407 -0.094 1.00 0.00 C ATOM 1263 O VAL A 86 -7.066 -5.261 -1.270 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.099 -5.036 0.976 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.577 -3.587 1.080 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.274 -5.387 2.216 1.00 0.00 C ATOM 0 H VAL A 86 -5.409 -7.249 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.814 -6.084 1.843 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.485 -5.154 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.715 -2.923 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.165 -3.333 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.193 -3.470 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.413 -4.722 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.890 -5.271 3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.931 -6.419 2.144 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.492 -5.088 0.431 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.569 -4.517 -0.387 1.00 0.00 C ATOM 1278 C PRO A 87 -9.436 -2.995 -0.408 1.00 0.00 C ATOM 1279 O PRO A 87 -8.415 -2.447 -0.043 1.00 0.00 O ATOM 1280 CB PRO A 87 -10.832 -4.939 0.354 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.413 -5.153 1.781 1.00 0.00 C ATOM 1282 CD PRO A 87 -8.905 -5.235 1.826 1.00 0.00 C ATOM 0 HA PRO A 87 -9.561 -4.850 -1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.603 -4.171 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.250 -5.851 -0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.768 -4.335 2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.855 -6.069 2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.483 -4.448 2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.571 -6.186 2.241 1.00 0.00 H new ATOM 1290 N MET A 88 -10.457 -2.312 -0.825 1.00 0.00 N ATOM 1291 CA MET A 88 -10.390 -0.821 -0.862 1.00 0.00 C ATOM 1292 C MET A 88 -11.527 -0.222 -0.046 1.00 0.00 C ATOM 1293 O MET A 88 -11.743 0.973 -0.055 1.00 0.00 O ATOM 1294 CB MET A 88 -10.574 -0.391 -2.319 1.00 0.00 C ATOM 1295 CG MET A 88 -11.088 -1.544 -3.196 1.00 0.00 C ATOM 1296 SD MET A 88 -12.833 -1.864 -2.824 1.00 0.00 S ATOM 1297 CE MET A 88 -13.491 -0.264 -3.360 1.00 0.00 C ATOM 0 H MET A 88 -11.338 -2.716 -1.143 1.00 0.00 H new ATOM 0 HA MET A 88 -9.438 -0.483 -0.453 1.00 0.00 H new ATOM 0 HB2 MET A 88 -11.276 0.442 -2.366 1.00 0.00 H new ATOM 0 HB3 MET A 88 -9.624 -0.030 -2.714 1.00 0.00 H new ATOM 0 HG2 MET A 88 -10.971 -1.292 -4.250 1.00 0.00 H new ATOM 0 HG3 MET A 88 -10.497 -2.442 -3.016 1.00 0.00 H new ATOM 0 HE1 MET A 88 -14.505 -0.396 -3.739 1.00 0.00 H new ATOM 0 HE2 MET A 88 -13.506 0.425 -2.515 1.00 0.00 H new ATOM 0 HE3 MET A 88 -12.859 0.143 -4.149 1.00 0.00 H new ATOM 1307 N SER A 89 -12.272 -1.034 0.630 1.00 0.00 N ATOM 1308 CA SER A 89 -13.412 -0.489 1.410 1.00 0.00 C ATOM 1309 C SER A 89 -13.110 -0.485 2.899 1.00 0.00 C ATOM 1310 O SER A 89 -13.254 -1.479 3.580 1.00 0.00 O ATOM 1311 CB SER A 89 -14.577 -1.417 1.125 1.00 0.00 C ATOM 1312 OG SER A 89 -14.859 -1.412 -0.268 1.00 0.00 O ATOM 0 H SER A 89 -12.147 -2.045 0.680 1.00 0.00 H new ATOM 0 HA SER A 89 -13.622 0.543 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.339 -2.428 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.455 -1.097 1.686 1.00 0.00 H new ATOM 0 HG SER A 89 -14.075 -1.732 -0.762 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.708 0.635 3.405 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.407 0.727 4.860 1.00 0.00 C ATOM 1320 C LEU A 90 -13.621 0.268 5.669 1.00 0.00 C ATOM 1321 O LEU A 90 -14.611 0.967 5.748 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.124 2.205 5.116 1.00 0.00 C ATOM 1323 CG LEU A 90 -10.762 2.350 5.790 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -10.409 3.833 5.914 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -10.814 1.718 7.184 1.00 0.00 C ATOM 0 H LEU A 90 -12.572 1.497 2.878 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.566 0.098 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.138 2.758 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -12.903 2.632 5.748 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.004 1.846 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.437 3.937 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.372 4.283 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.166 4.338 6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.842 1.821 7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.572 2.222 7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.065 0.661 7.095 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.502 -0.896 6.246 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.610 -1.452 7.059 1.00 0.00 C ATOM 1339 C PRO A 91 -14.783 -0.630 8.340 1.00 0.00 C ATOM 1340 O PRO A 91 -13.904 0.120 8.718 1.00 0.00 O ATOM 1341 CB PRO A 91 -14.152 -2.877 7.362 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.663 -2.829 7.250 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.342 -1.794 6.205 1.00 0.00 C ATOM 0 HA PRO A 91 -15.577 -1.430 6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.464 -3.190 8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.579 -3.589 6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.211 -2.567 8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.264 -3.803 6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.417 -1.265 6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.217 -2.243 5.220 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.920 -0.786 8.959 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.220 -0.034 10.202 1.00 0.00 C ATOM 1353 C PRO A 92 -15.362 -0.529 11.367 1.00 0.00 C ATOM 1354 O PRO A 92 -15.266 0.113 12.395 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.699 -0.316 10.444 1.00 0.00 C ATOM 1356 CG PRO A 92 -17.963 -1.610 9.744 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.022 -1.671 8.569 1.00 0.00 C ATOM 0 HA PRO A 92 -16.003 1.031 10.115 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.918 -0.391 11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.324 0.483 10.046 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.798 -2.453 10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.000 -1.665 9.412 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.674 -2.688 8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.504 -1.331 7.652 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.723 -1.652 11.216 1.00 0.00 N ATOM 1366 CA ALA A 93 -13.860 -2.163 12.316 1.00 0.00 C ATOM 1367 C ALA A 93 -12.448 -1.603 12.152 1.00 0.00 C ATOM 1368 O ALA A 93 -11.490 -2.135 12.676 1.00 0.00 O ATOM 1369 CB ALA A 93 -13.862 -3.683 12.154 1.00 0.00 C ATOM 0 H ALA A 93 -14.760 -2.238 10.382 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.216 -1.868 13.303 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.245 -4.133 12.932 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.882 -4.057 12.239 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.460 -3.945 11.175 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.315 -0.535 11.414 1.00 0.00 N ATOM 1376 CA LEU A 94 -10.970 0.065 11.194 1.00 0.00 C ATOM 1377 C LEU A 94 -10.943 1.514 11.689 1.00 0.00 C ATOM 1378 O LEU A 94 -9.897 2.118 11.817 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.779 0.030 9.678 1.00 0.00 C ATOM 1380 CG LEU A 94 -9.853 -1.123 9.299 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.510 -0.945 10.003 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -10.487 -2.447 9.725 1.00 0.00 C ATOM 0 H LEU A 94 -13.084 -0.050 10.952 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.187 -0.471 11.730 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.743 -0.089 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.358 0.975 9.334 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.698 -1.129 8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.847 -1.767 9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.061 -0.001 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.663 -0.940 11.082 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.826 -3.271 9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.642 -2.446 10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.445 -2.570 9.221 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.087 2.082 11.950 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.132 3.497 12.412 1.00 0.00 C ATOM 1396 C VAL A 95 -11.980 3.586 13.936 1.00 0.00 C ATOM 1397 O VAL A 95 -12.782 3.045 14.671 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.512 3.996 11.985 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -13.599 4.011 10.458 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -14.587 3.061 12.544 1.00 0.00 C ATOM 0 H VAL A 95 -12.995 1.626 11.863 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.321 4.090 11.989 1.00 0.00 H new ATOM 0 HB VAL A 95 -13.668 5.004 12.369 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -14.583 4.367 10.153 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -12.833 4.674 10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.443 3.003 10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -15.572 3.416 12.240 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -14.429 2.054 12.158 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.527 3.046 13.632 1.00 0.00 H new ATOM 1410 N PRO A 96 -10.959 4.287 14.356 1.00 0.00 N ATOM 1411 CA PRO A 96 -10.707 4.472 15.805 1.00 0.00 C ATOM 1412 C PRO A 96 -11.720 5.469 16.370 1.00 0.00 C ATOM 1413 O PRO A 96 -12.518 6.009 15.633 1.00 0.00 O ATOM 1414 CB PRO A 96 -9.288 5.036 15.852 1.00 0.00 C ATOM 1415 CG PRO A 96 -9.082 5.687 14.522 1.00 0.00 C ATOM 1416 CD PRO A 96 -9.956 4.966 13.529 1.00 0.00 C ATOM 0 HA PRO A 96 -10.805 3.559 16.393 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.176 5.755 16.664 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.556 4.247 16.022 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.343 6.744 14.567 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.035 5.630 14.225 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.421 5.661 12.830 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.381 4.254 12.936 1.00 0.00 H new ATOM 1424 N PRO A 97 -11.666 5.685 17.657 1.00 0.00 N ATOM 1425 CA PRO A 97 -12.612 6.629 18.299 1.00 0.00 C ATOM 1426 C PRO A 97 -12.314 8.066 17.876 1.00 0.00 C ATOM 1427 O PRO A 97 -11.996 8.916 18.683 1.00 0.00 O ATOM 1428 CB PRO A 97 -12.374 6.419 19.793 1.00 0.00 C ATOM 1429 CG PRO A 97 -10.983 5.879 19.886 1.00 0.00 C ATOM 1430 CD PRO A 97 -10.739 5.087 18.627 1.00 0.00 C ATOM 0 HA PRO A 97 -13.650 6.454 18.017 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.473 7.354 20.345 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.098 5.722 20.215 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -10.259 6.689 19.980 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -10.871 5.248 20.768 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.704 5.170 18.296 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.943 4.026 18.775 1.00 0.00 H new ATOM 1438 N SER A 98 -12.445 8.339 16.611 1.00 0.00 N ATOM 1439 CA SER A 98 -12.205 9.715 16.108 1.00 0.00 C ATOM 1440 C SER A 98 -13.245 10.029 15.046 1.00 0.00 C ATOM 1441 O SER A 98 -14.007 10.968 15.158 1.00 0.00 O ATOM 1442 CB SER A 98 -10.799 9.695 15.513 1.00 0.00 C ATOM 1443 OG SER A 98 -10.162 10.939 15.770 1.00 0.00 O ATOM 0 H SER A 98 -12.711 7.660 15.897 1.00 0.00 H new ATOM 0 HA SER A 98 -12.282 10.475 16.885 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.220 8.880 15.947 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.849 9.514 14.439 1.00 0.00 H new ATOM 0 HG SER A 98 -9.258 10.928 15.391 1.00 0.00 H new ATOM 1449 N LYS A 99 -13.309 9.219 14.038 1.00 0.00 N ATOM 1450 CA LYS A 99 -14.328 9.434 12.990 1.00 0.00 C ATOM 1451 C LYS A 99 -15.591 8.673 13.390 1.00 0.00 C ATOM 1452 O LYS A 99 -16.502 8.504 12.604 1.00 0.00 O ATOM 1453 CB LYS A 99 -13.726 8.850 11.713 1.00 0.00 C ATOM 1454 CG LYS A 99 -14.670 9.112 10.538 1.00 0.00 C ATOM 1455 CD LYS A 99 -14.048 10.153 9.606 1.00 0.00 C ATOM 1456 CE LYS A 99 -14.617 9.979 8.196 1.00 0.00 C ATOM 1457 NZ LYS A 99 -14.569 11.340 7.593 1.00 0.00 N ATOM 0 H LYS A 99 -12.698 8.415 13.894 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.591 10.483 12.852 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.752 9.300 11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.564 7.779 11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -14.856 8.186 9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -15.634 9.466 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.258 11.158 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.964 10.040 9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.027 9.269 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.637 9.596 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.943 11.304 6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.145 11.992 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.585 11.676 7.572 1.00 0.00 H new ATOM 1471 N ARG A 100 -15.650 8.205 14.617 1.00 0.00 N ATOM 1472 CA ARG A 100 -16.861 7.447 15.054 1.00 0.00 C ATOM 1473 C ARG A 100 -18.073 8.387 15.135 1.00 0.00 C ATOM 1474 O ARG A 100 -18.498 8.944 14.142 1.00 0.00 O ATOM 1475 CB ARG A 100 -16.513 6.877 16.430 1.00 0.00 C ATOM 1476 CG ARG A 100 -15.228 6.052 16.344 1.00 0.00 C ATOM 1477 CD ARG A 100 -15.351 5.007 15.230 1.00 0.00 C ATOM 1478 NE ARG A 100 -16.416 4.076 15.695 1.00 0.00 N ATOM 1479 CZ ARG A 100 -16.104 3.012 16.385 1.00 0.00 C ATOM 1480 NH1 ARG A 100 -14.905 2.883 16.887 1.00 0.00 N ATOM 1481 NH2 ARG A 100 -16.994 2.077 16.579 1.00 0.00 N ATOM 0 H ARG A 100 -14.922 8.314 15.323 1.00 0.00 H new ATOM 0 HA ARG A 100 -17.125 6.655 14.354 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -16.387 7.688 17.148 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -17.331 6.255 16.793 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -14.378 6.706 16.148 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -15.038 5.559 17.297 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -15.619 5.471 14.281 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -14.408 4.483 15.074 1.00 0.00 H new ATOM 0 HE ARG A 100 -17.393 4.270 15.474 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -14.209 3.614 16.741 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -14.664 2.051 17.425 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -17.932 2.178 16.192 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -16.751 1.246 17.118 1.00 0.00 H new TER 1495 ARG A 100 HETATM 1496 CA CA A 107 -4.507 12.065 7.490 1.00 12.07 CA