USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1060 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 94 ASN : amide:sc= -2.87! C(o=-9.5!,f=-16!) USER MOD Set 1.2: A 102 CYS SG : rot 42:sc= -6.61! USER MOD Set 2.1: A 99 THR OG1 : rot 123:sc= 0.723 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.637 USER MOD Set 3.1: A 86 CYS SG : rot 180:sc= -3.59! USER MOD Set 3.2: A 87 THR OG1 : rot -60:sc= -3.27! USER MOD Set 4.1: A 57 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 60 LYS NZ :NH3+ 160:sc= -0.0462 (180deg=-0.512) USER MOD Set 5.1: A 49 CYS SG : rot 110:sc= -1.83 USER MOD Set 5.2: A 53 LYS NZ :NH3+ -160:sc= 0.526! (180deg=0) USER MOD Set 5.3: A 107 GLN : amide:sc= 1.4 K(o=0.096,f=-23!) USER MOD Set 6.1: A 42 ASN : amide:sc= -3.04! C(o=-8.2!,f=-3.9!) USER MOD Set 6.2: A 82 ASN : amide:sc= -5.12! C(o=-8.2!,f=-8!) USER MOD Set 7.1: A 16 SER OG : rot -80:sc= 0.694 USER MOD Set 7.2: A 19 ASN : amide:sc= -1.32! K(o=-0.62!,f=-4.3) USER MOD Single : A 6 SER OG : rot -118:sc= 0.61 USER MOD Single : A 7 GLN : amide:sc= -1.4 K(o=-1.4,f=0.52) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= -0.0876 (180deg=-0.555) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.92! C(o=-2.9!,f=-4.1!) USER MOD Single : A 23 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-11!) USER MOD Single : A 25 CYS SG : rot 130:sc= -3.6! USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= -1.32 (180deg=-1.4) USER MOD Single : A 35 LYS NZ :NH3+ 141:sc= -0.156 (180deg=-1.21) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 48 SER OG : rot -35:sc= 0.312 USER MOD Single : A 52 TYR OH : rot 15:sc= 0.28 USER MOD Single : A 54 LYS NZ :NH3+ 139:sc= -0.695 (180deg=-1.16) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.0621 (180deg=-0.532) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.491 USER MOD Single : A 64 LYS NZ :NH3+ -114:sc= -1.65 (180deg=-4.18!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 141:sc= -0.131 (180deg=-0.705) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.215 USER MOD Single : A 70 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0597 USER MOD Single : A 76 GLN : amide:sc= -0.0483 K(o=-0.048,f=-1.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00412 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 0.84 (180deg=0.729) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -47:sc= 0.53 USER MOD Single : A 95 MET CE :methyl -145:sc= -0.691 (180deg=-2.91!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -115:sc= 0.0905 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.408 K(o=-0.41,f=-1.5) USER MOD Single : A 114 MET CE :methyl -174:sc= -3.87! (180deg=-4.08!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -37:sc= -1.15 USER MOD Single : A 119 TYR OH : rot -140:sc= -3.62! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot -39:sc= 0.178 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 63:sc= 1.06 USER MOD Single : A 133 ASN : amide:sc= -3.56! K(o=-3.6!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -9.099 2.239 -13.393 1.00 17.32 N ATOM 2 CA VAL A 5 -9.620 1.665 -12.115 1.00 16.53 C ATOM 3 C VAL A 5 -11.130 1.872 -12.055 1.00 15.62 C ATOM 4 O VAL A 5 -11.622 2.961 -12.272 1.00 15.21 O ATOM 5 CB VAL A 5 -8.962 2.370 -10.931 1.00 17.91 C ATOM 6 CG1 VAL A 5 -9.465 1.749 -9.625 1.00 18.70 C ATOM 7 CG2 VAL A 5 -7.441 2.208 -11.025 1.00 17.86 C ATOM 0 HA VAL A 5 -9.392 0.600 -12.071 1.00 16.53 H new ATOM 0 HB VAL A 5 -9.216 3.430 -10.949 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.996 2.251 -8.779 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -10.547 1.864 -9.561 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -9.210 0.689 -9.604 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -6.969 2.710 -10.181 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -7.186 1.148 -11.006 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -7.085 2.650 -11.956 1.00 17.86 H new ATOM 17 N SER A 6 -11.871 0.844 -11.766 1.00 15.43 N ATOM 18 CA SER A 6 -13.346 1.002 -11.699 1.00 14.66 C ATOM 19 C SER A 6 -13.712 1.777 -10.431 1.00 13.40 C ATOM 20 O SER A 6 -12.944 1.851 -9.492 1.00 12.58 O ATOM 21 CB SER A 6 -14.006 -0.378 -11.661 1.00 15.49 C ATOM 22 OG SER A 6 -13.828 -0.948 -10.371 1.00 15.97 O ATOM 0 H SER A 6 -11.522 -0.095 -11.574 1.00 15.43 H new ATOM 0 HA SER A 6 -13.696 1.547 -12.576 1.00 14.66 H new ATOM 0 HB2 SER A 6 -15.068 -0.292 -11.890 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.567 -1.025 -12.421 1.00 15.49 H new ATOM 0 HG SER A 6 -13.310 -1.776 -10.448 1.00 15.97 H new ATOM 28 N GLN A 7 -14.881 2.354 -10.397 1.00 13.37 N ATOM 29 CA GLN A 7 -15.299 3.125 -9.192 1.00 12.23 C ATOM 30 C GLN A 7 -15.512 2.150 -8.031 1.00 11.36 C ATOM 31 O GLN A 7 -15.568 2.532 -6.882 1.00 10.97 O ATOM 32 CB GLN A 7 -16.607 3.868 -9.486 1.00 13.19 C ATOM 33 CG GLN A 7 -16.354 4.981 -10.511 1.00 13.36 C ATOM 34 CD GLN A 7 -15.477 6.076 -9.896 1.00 13.61 C ATOM 35 OE1 GLN A 7 -14.490 6.475 -10.481 1.00 13.82 O ATOM 36 NE2 GLN A 7 -15.797 6.584 -8.738 1.00 13.77 N ATOM 0 H GLN A 7 -15.566 2.325 -11.152 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.528 3.850 -8.930 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -17.353 3.172 -9.869 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -17.009 4.293 -8.566 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.867 4.568 -11.394 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -17.303 5.406 -10.839 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.626 6.250 -8.246 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -15.219 7.316 -8.325 1.00 13.77 H new ATOM 45 N GLU A 8 -15.653 0.890 -8.328 1.00 13.01 N ATOM 46 CA GLU A 8 -15.873 -0.117 -7.251 1.00 12.24 C ATOM 47 C GLU A 8 -14.599 -0.303 -6.411 1.00 11.73 C ATOM 48 O GLU A 8 -14.655 -0.470 -5.210 1.00 11.71 O ATOM 49 CB GLU A 8 -16.254 -1.455 -7.882 1.00 13.27 C ATOM 50 CG GLU A 8 -17.654 -1.347 -8.486 1.00 13.55 C ATOM 51 CD GLU A 8 -18.045 -2.683 -9.116 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.548 -2.978 -10.192 1.00 15.06 O ATOM 53 OE2 GLU A 8 -18.829 -3.392 -8.511 1.00 14.92 O ATOM 0 H GLU A 8 -15.625 0.511 -9.275 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.674 0.237 -6.602 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.532 -1.725 -8.653 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.229 -2.245 -7.131 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.374 -1.073 -7.715 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.677 -0.558 -9.238 1.00 13.55 H new ATOM 60 N GLU A 9 -13.457 -0.317 -7.043 1.00 11.46 N ATOM 61 CA GLU A 9 -12.181 -0.539 -6.294 1.00 11.12 C ATOM 62 C GLU A 9 -11.766 0.704 -5.488 1.00 10.28 C ATOM 63 O GLU A 9 -11.303 0.585 -4.371 1.00 10.32 O ATOM 64 CB GLU A 9 -11.072 -0.902 -7.291 1.00 12.40 C ATOM 65 CG GLU A 9 -11.198 -2.374 -7.709 1.00 13.24 C ATOM 66 CD GLU A 9 -12.544 -2.612 -8.397 1.00 14.08 C ATOM 67 OE1 GLU A 9 -13.549 -2.622 -7.705 1.00 14.68 O ATOM 68 OE2 GLU A 9 -12.547 -2.788 -9.604 1.00 14.26 O ATOM 0 H GLU A 9 -13.350 -0.184 -8.049 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.339 -1.353 -5.586 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.138 -0.260 -8.169 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.095 -0.726 -6.840 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -10.384 -2.639 -8.384 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -11.109 -3.018 -6.834 1.00 13.24 H new ATOM 75 N VAL A 10 -11.907 1.889 -6.023 1.00 9.75 N ATOM 76 CA VAL A 10 -11.488 3.085 -5.232 1.00 9.10 C ATOM 77 C VAL A 10 -12.305 3.135 -3.937 1.00 7.91 C ATOM 78 O VAL A 10 -11.789 3.424 -2.879 1.00 7.70 O ATOM 79 CB VAL A 10 -11.701 4.377 -6.040 1.00 10.81 C ATOM 80 CG1 VAL A 10 -11.068 4.228 -7.427 1.00 11.69 C ATOM 81 CG2 VAL A 10 -13.199 4.657 -6.186 1.00 11.17 C ATOM 0 H VAL A 10 -12.285 2.079 -6.951 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.426 3.005 -4.999 1.00 9.10 H new ATOM 0 HB VAL A 10 -11.230 5.209 -5.515 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -11.220 5.145 -7.997 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -10.000 4.040 -7.321 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -11.533 3.393 -7.951 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -13.344 5.573 -6.759 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.676 3.825 -6.705 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.646 4.772 -5.198 1.00 11.17 H new ATOM 91 N LYS A 11 -13.578 2.846 -4.005 1.00 7.38 N ATOM 92 CA LYS A 11 -14.402 2.873 -2.764 1.00 6.32 C ATOM 93 C LYS A 11 -13.832 1.864 -1.765 1.00 5.68 C ATOM 94 O LYS A 11 -13.752 2.131 -0.584 1.00 5.93 O ATOM 95 CB LYS A 11 -15.862 2.540 -3.084 1.00 8.26 C ATOM 96 CG LYS A 11 -16.482 3.699 -3.872 1.00 8.64 C ATOM 97 CD LYS A 11 -17.941 3.381 -4.197 1.00 9.23 C ATOM 98 CE LYS A 11 -18.554 4.538 -4.995 1.00 9.91 C ATOM 99 NZ LYS A 11 -18.518 5.787 -4.181 1.00 10.51 N ATOM 0 H LYS A 11 -14.078 2.595 -4.858 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.371 3.872 -2.330 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.919 1.619 -3.664 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.419 2.372 -2.163 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -16.421 4.619 -3.291 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.923 3.866 -4.793 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -18.003 2.457 -4.771 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -18.503 3.223 -3.277 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -18.004 4.683 -5.925 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -19.582 4.300 -5.267 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -19.223 6.459 -4.545 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -18.735 5.561 -3.189 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -17.571 6.213 -4.240 1.00 10.51 H new ATOM 113 N LYS A 12 -13.415 0.714 -2.226 1.00 5.08 N ATOM 114 CA LYS A 12 -12.835 -0.288 -1.286 1.00 4.72 C ATOM 115 C LYS A 12 -11.608 0.324 -0.625 1.00 4.34 C ATOM 116 O LYS A 12 -11.346 0.117 0.542 1.00 4.65 O ATOM 117 CB LYS A 12 -12.401 -1.559 -2.030 1.00 6.91 C ATOM 118 CG LYS A 12 -13.632 -2.338 -2.519 1.00 7.86 C ATOM 119 CD LYS A 12 -13.244 -3.791 -2.855 1.00 8.86 C ATOM 120 CE LYS A 12 -12.413 -3.851 -4.141 1.00 9.89 C ATOM 121 NZ LYS A 12 -11.989 -5.261 -4.383 1.00 10.82 N ATOM 0 H LYS A 12 -13.451 0.427 -3.204 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.593 -0.554 -0.549 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.769 -1.294 -2.878 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.803 -2.188 -1.371 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.406 -2.329 -1.751 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.052 -1.853 -3.400 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.676 -4.220 -2.030 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -14.144 -4.395 -2.970 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -12.998 -3.484 -4.984 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -11.539 -3.205 -4.055 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -11.424 -5.309 -5.255 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -11.417 -5.594 -3.581 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -12.830 -5.864 -4.482 1.00 10.82 H new ATOM 135 N TRP A 13 -10.843 1.073 -1.367 1.00 4.15 N ATOM 136 CA TRP A 13 -9.629 1.685 -0.778 1.00 3.58 C ATOM 137 C TRP A 13 -10.032 2.521 0.434 1.00 2.38 C ATOM 138 O TRP A 13 -9.276 2.691 1.352 1.00 2.83 O ATOM 139 CB TRP A 13 -8.945 2.585 -1.810 1.00 4.70 C ATOM 140 CG TRP A 13 -8.585 1.801 -3.041 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.758 0.463 -3.213 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.994 2.293 -4.278 1.00 5.21 C ATOM 143 NE1 TRP A 13 -8.305 0.112 -4.472 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.826 1.205 -5.167 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.590 3.569 -4.709 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -7.277 1.376 -6.439 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -7.037 3.746 -5.987 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.880 2.653 -6.849 1.00 6.26 C ATOM 0 H TRP A 13 -11.007 1.285 -2.351 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.937 0.899 -0.476 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.607 3.409 -2.078 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -8.047 3.026 -1.377 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -9.180 -0.215 -2.486 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -8.323 -0.838 -4.842 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.706 4.419 -4.052 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -7.160 0.530 -7.100 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.731 4.731 -6.308 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -6.452 2.796 -7.830 1.00 6.26 H new ATOM 159 N ALA A 14 -11.223 3.039 0.460 1.00 0.01 N ATOM 160 CA ALA A 14 -11.640 3.844 1.642 1.00 0.01 C ATOM 161 C ALA A 14 -12.132 2.900 2.743 1.00 0.01 C ATOM 162 O ALA A 14 -12.359 3.305 3.866 1.00 0.01 O ATOM 163 CB ALA A 14 -12.766 4.792 1.234 1.00 0.00 C ATOM 0 H ALA A 14 -11.922 2.943 -0.276 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.796 4.425 2.013 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.074 5.383 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.414 5.457 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.614 4.213 0.869 1.00 0.00 H new ATOM 169 N GLU A 15 -12.308 1.639 2.425 1.00 0.01 N ATOM 170 CA GLU A 15 -12.798 0.657 3.447 1.00 0.01 C ATOM 171 C GLU A 15 -11.629 -0.078 4.127 1.00 0.01 C ATOM 172 O GLU A 15 -11.770 -0.562 5.233 1.00 0.01 O ATOM 173 CB GLU A 15 -13.714 -0.374 2.763 1.00 0.01 C ATOM 174 CG GLU A 15 -15.122 0.208 2.562 1.00 0.01 C ATOM 175 CD GLU A 15 -15.088 1.291 1.486 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.522 2.340 1.746 1.00 0.01 O ATOM 177 OE2 GLU A 15 -15.633 1.059 0.419 1.00 0.01 O ATOM 0 H GLU A 15 -12.133 1.246 1.500 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.347 1.207 4.211 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -13.292 -0.662 1.800 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.771 -1.278 3.369 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.814 -0.583 2.272 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -15.490 0.626 3.499 1.00 0.01 H new ATOM 184 N SER A 16 -10.483 -0.190 3.500 1.00 0.01 N ATOM 185 CA SER A 16 -9.362 -0.926 4.170 1.00 0.01 C ATOM 186 C SER A 16 -8.044 -0.746 3.411 1.00 0.00 C ATOM 187 O SER A 16 -8.003 -0.746 2.198 1.00 0.00 O ATOM 188 CB SER A 16 -9.700 -2.417 4.216 1.00 0.01 C ATOM 189 OG SER A 16 -9.643 -2.950 2.900 1.00 0.01 O ATOM 0 H SER A 16 -10.276 0.186 2.575 1.00 0.01 H new ATOM 0 HA SER A 16 -9.243 -0.522 5.175 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.998 -2.941 4.864 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.694 -2.564 4.638 1.00 0.01 H new ATOM 0 HG SER A 16 -10.471 -2.734 2.423 1.00 0.01 H new ATOM 195 N LEU A 17 -6.963 -0.616 4.137 1.00 0.00 N ATOM 196 CA LEU A 17 -5.622 -0.445 3.505 1.00 0.00 C ATOM 197 C LEU A 17 -5.314 -1.656 2.624 1.00 0.01 C ATOM 198 O LEU A 17 -4.707 -1.537 1.578 1.00 0.00 O ATOM 199 CB LEU A 17 -4.558 -0.361 4.605 1.00 0.01 C ATOM 200 CG LEU A 17 -3.196 0.050 3.998 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.134 1.583 3.770 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.058 -0.406 4.935 1.00 0.00 C ATOM 0 H LEU A 17 -6.954 -0.621 5.157 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.619 0.463 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.862 0.364 5.361 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.465 -1.324 5.106 1.00 0.01 H new ATOM 0 HG LEU A 17 -3.079 -0.435 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.167 1.848 3.343 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.928 1.881 3.085 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.264 2.098 4.722 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.098 -0.117 4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.179 0.066 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.093 -1.489 5.049 1.00 0.00 H new ATOM 214 N GLU A 18 -5.695 -2.819 3.058 1.00 0.01 N ATOM 215 CA GLU A 18 -5.393 -4.043 2.271 1.00 0.00 C ATOM 216 C GLU A 18 -5.948 -3.918 0.852 1.00 0.00 C ATOM 217 O GLU A 18 -5.315 -4.324 -0.098 1.00 0.01 O ATOM 218 CB GLU A 18 -6.033 -5.248 2.960 1.00 0.01 C ATOM 219 CG GLU A 18 -5.303 -5.526 4.272 1.00 0.01 C ATOM 220 CD GLU A 18 -5.909 -6.758 4.945 1.00 0.00 C ATOM 221 OE1 GLU A 18 -6.926 -7.231 4.464 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.346 -7.207 5.930 1.00 0.01 O ATOM 0 H GLU A 18 -6.205 -2.977 3.927 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.312 -4.171 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.088 -5.054 3.152 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -5.983 -6.122 2.310 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.242 -5.688 4.082 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.381 -4.663 4.933 1.00 0.01 H new ATOM 229 N ASN A 19 -7.118 -3.369 0.693 1.00 0.01 N ATOM 230 CA ASN A 19 -7.688 -3.240 -0.681 1.00 0.00 C ATOM 231 C ASN A 19 -6.773 -2.363 -1.543 1.00 0.00 C ATOM 232 O ASN A 19 -6.469 -2.685 -2.677 1.00 0.01 O ATOM 233 CB ASN A 19 -9.069 -2.587 -0.599 1.00 0.01 C ATOM 234 CG ASN A 19 -10.062 -3.537 0.075 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.995 -3.101 0.719 1.00 0.01 O ATOM 236 ND2 ASN A 19 -9.904 -4.826 -0.047 1.00 0.01 N ATOM 0 H ASN A 19 -7.702 -3.006 1.446 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.770 -4.231 -1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.006 -1.655 -0.037 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.419 -2.332 -1.599 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.563 -5.465 0.398 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -9.121 -5.195 -0.587 1.00 0.01 H new ATOM 243 N LEU A 20 -6.333 -1.255 -1.015 1.00 0.00 N ATOM 244 CA LEU A 20 -5.449 -0.346 -1.799 1.00 0.01 C ATOM 245 C LEU A 20 -4.169 -1.082 -2.199 1.00 0.01 C ATOM 246 O LEU A 20 -3.747 -1.036 -3.336 1.00 0.00 O ATOM 247 CB LEU A 20 -5.091 0.871 -0.935 1.00 0.00 C ATOM 248 CG LEU A 20 -4.152 1.826 -1.694 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.833 2.348 -2.969 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.804 3.006 -0.782 1.00 0.01 C ATOM 0 H LEU A 20 -6.548 -0.938 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.969 -0.021 -2.700 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -6.001 1.400 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.612 0.540 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.247 1.289 -1.978 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.156 3.022 -3.494 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.084 1.508 -3.617 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.743 2.885 -2.702 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -3.139 3.690 -1.309 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.717 3.532 -0.503 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.308 2.638 0.116 1.00 0.01 H new ATOM 262 N ILE A 21 -3.534 -1.740 -1.272 1.00 0.01 N ATOM 263 CA ILE A 21 -2.267 -2.452 -1.601 1.00 0.00 C ATOM 264 C ILE A 21 -2.574 -3.791 -2.308 1.00 0.00 C ATOM 265 O ILE A 21 -1.707 -4.389 -2.909 1.00 0.00 O ATOM 266 CB ILE A 21 -1.465 -2.676 -0.296 1.00 0.00 C ATOM 267 CG1 ILE A 21 0.038 -2.737 -0.600 1.00 0.00 C ATOM 268 CG2 ILE A 21 -1.885 -3.980 0.386 1.00 0.00 C ATOM 269 CD1 ILE A 21 0.822 -2.869 0.708 1.00 0.01 C ATOM 0 H ILE A 21 -3.836 -1.816 -0.301 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.668 -1.850 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.674 -1.839 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.253 -3.584 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.348 -1.838 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.307 -4.115 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.946 -3.937 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.701 -4.818 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.889 -2.912 0.490 1.00 0.01 H new ATOM 0 HD12 ILE A 21 0.616 -2.008 1.344 1.00 0.01 H new ATOM 0 HD13 ILE A 21 0.520 -3.781 1.223 1.00 0.01 H new ATOM 281 N ASN A 22 -3.790 -4.277 -2.231 1.00 0.00 N ATOM 282 CA ASN A 22 -4.117 -5.586 -2.890 1.00 0.01 C ATOM 283 C ASN A 22 -4.643 -5.372 -4.312 1.00 0.01 C ATOM 284 O ASN A 22 -4.872 -6.320 -5.037 1.00 0.01 O ATOM 285 CB ASN A 22 -5.177 -6.324 -2.073 1.00 0.01 C ATOM 286 CG ASN A 22 -4.555 -6.799 -0.760 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.350 -6.904 -0.651 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.327 -7.101 0.244 1.00 0.01 N ATOM 0 H ASN A 22 -4.567 -3.829 -1.744 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.202 -6.176 -2.940 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.023 -5.666 -1.872 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.561 -7.174 -2.636 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -4.920 -7.425 1.121 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.339 -7.013 0.154 1.00 0.01 H new ATOM 295 N HIS A 23 -4.836 -4.150 -4.731 1.00 0.01 N ATOM 296 CA HIS A 23 -5.348 -3.921 -6.120 1.00 0.01 C ATOM 297 C HIS A 23 -4.171 -3.753 -7.084 1.00 0.01 C ATOM 298 O HIS A 23 -3.157 -3.175 -6.748 1.00 0.01 O ATOM 299 CB HIS A 23 -6.202 -2.658 -6.155 1.00 0.00 C ATOM 300 CG HIS A 23 -6.881 -2.572 -7.491 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.500 -1.656 -8.458 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.908 -3.293 -8.039 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.291 -1.848 -9.528 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.167 -2.835 -9.326 1.00 0.01 N ATOM 0 H HIS A 23 -4.665 -3.308 -4.182 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.950 -4.779 -6.420 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.943 -2.681 -5.356 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.581 -1.778 -5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.437 -4.096 -7.546 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.226 -1.274 -10.440 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -8.874 -3.179 -9.976 1.00 0.01 H new ATOM 312 N GLU A 24 -4.301 -4.260 -8.280 1.00 0.01 N ATOM 313 CA GLU A 24 -3.193 -4.139 -9.270 1.00 0.01 C ATOM 314 C GLU A 24 -2.896 -2.661 -9.526 1.00 0.01 C ATOM 315 O GLU A 24 -1.755 -2.264 -9.656 1.00 0.01 O ATOM 316 CB GLU A 24 -3.591 -4.814 -10.585 1.00 0.01 C ATOM 317 CG GLU A 24 -2.419 -4.741 -11.569 1.00 0.01 C ATOM 318 CD GLU A 24 -2.804 -5.425 -12.881 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.841 -6.064 -12.908 1.00 0.00 O ATOM 320 OE2 GLU A 24 -2.056 -5.296 -13.834 1.00 0.01 O ATOM 0 H GLU A 24 -5.128 -4.754 -8.615 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.304 -4.628 -8.872 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.865 -5.854 -10.405 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.467 -4.323 -11.008 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.152 -3.701 -11.755 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.541 -5.224 -11.140 1.00 0.01 H new ATOM 327 N CYS A 25 -3.907 -1.839 -9.603 1.00 0.01 N ATOM 328 CA CYS A 25 -3.657 -0.391 -9.854 1.00 0.01 C ATOM 329 C CYS A 25 -3.338 0.278 -8.523 1.00 0.01 C ATOM 330 O CYS A 25 -2.508 1.164 -8.447 1.00 0.00 O ATOM 331 CB CYS A 25 -4.901 0.251 -10.466 1.00 0.01 C ATOM 332 SG CYS A 25 -4.487 1.907 -11.064 1.00 0.00 S ATOM 0 H CYS A 25 -4.887 -2.104 -9.504 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.824 -0.270 -10.546 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.274 -0.362 -11.287 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.697 0.308 -9.724 1.00 0.01 H new ATOM 0 HG CYS A 25 -4.902 2.043 -12.288 1.00 0.00 H new ATOM 338 N GLY A 26 -3.965 -0.151 -7.463 1.00 0.01 N ATOM 339 CA GLY A 26 -3.655 0.455 -6.146 1.00 0.01 C ATOM 340 C GLY A 26 -2.172 0.225 -5.876 1.00 0.01 C ATOM 341 O GLY A 26 -1.468 1.108 -5.446 1.00 0.01 O ATOM 0 H GLY A 26 -4.671 -0.887 -7.454 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.884 1.521 -6.151 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.263 0.002 -5.363 1.00 0.01 H new ATOM 345 N LEU A 27 -1.686 -0.955 -6.156 1.00 0.01 N ATOM 346 CA LEU A 27 -0.235 -1.225 -5.953 1.00 0.00 C ATOM 347 C LEU A 27 0.570 -0.258 -6.825 1.00 0.00 C ATOM 348 O LEU A 27 1.462 0.423 -6.362 1.00 0.00 O ATOM 349 CB LEU A 27 0.087 -2.661 -6.380 1.00 0.00 C ATOM 350 CG LEU A 27 -0.383 -3.658 -5.314 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.296 -5.074 -5.891 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.505 -3.557 -4.053 1.00 0.01 C ATOM 0 H LEU A 27 -2.229 -1.740 -6.515 1.00 0.01 H new ATOM 0 HA LEU A 27 0.019 -1.092 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.398 -2.881 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.160 -2.768 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.411 -3.429 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.628 -5.793 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.933 -5.148 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.735 -5.290 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.158 -4.271 -3.306 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.539 -3.781 -4.317 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.445 -2.548 -3.646 1.00 0.01 H new ATOM 364 N ALA A 28 0.252 -0.196 -8.091 1.00 0.00 N ATOM 365 CA ALA A 28 0.992 0.720 -9.001 1.00 0.00 C ATOM 366 C ALA A 28 0.805 2.157 -8.524 1.00 0.01 C ATOM 367 O ALA A 28 1.749 2.913 -8.414 1.00 0.00 O ATOM 368 CB ALA A 28 0.455 0.570 -10.427 1.00 0.00 C ATOM 0 H ALA A 28 -0.489 -0.741 -8.532 1.00 0.00 H new ATOM 0 HA ALA A 28 2.053 0.470 -8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.998 1.241 -11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.590 -0.459 -10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.606 0.821 -10.445 1.00 0.00 H new ATOM 374 N ALA A 29 -0.404 2.537 -8.227 1.00 0.00 N ATOM 375 CA ALA A 29 -0.645 3.923 -7.744 1.00 0.01 C ATOM 376 C ALA A 29 -0.014 4.079 -6.363 1.00 0.00 C ATOM 377 O ALA A 29 0.623 5.071 -6.067 1.00 0.00 O ATOM 378 CB ALA A 29 -2.151 4.179 -7.654 1.00 0.01 C ATOM 0 H ALA A 29 -1.235 1.949 -8.297 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.203 4.640 -8.436 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.327 5.195 -7.300 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.601 4.055 -8.639 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.600 3.470 -6.959 1.00 0.01 H new ATOM 384 N PHE A 30 -0.182 3.104 -5.514 1.00 0.00 N ATOM 385 CA PHE A 30 0.414 3.192 -4.158 1.00 0.00 C ATOM 386 C PHE A 30 1.937 3.243 -4.276 1.00 0.00 C ATOM 387 O PHE A 30 2.583 4.066 -3.663 1.00 0.00 O ATOM 388 CB PHE A 30 -0.005 1.983 -3.314 1.00 0.00 C ATOM 389 CG PHE A 30 0.551 2.140 -1.918 1.00 0.00 C ATOM 390 CD1 PHE A 30 0.121 3.203 -1.114 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.506 1.240 -1.431 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.648 3.368 0.169 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.026 1.403 -0.143 1.00 0.00 C ATOM 394 CZ PHE A 30 1.599 2.469 0.654 1.00 0.00 C ATOM 0 H PHE A 30 -0.707 2.250 -5.703 1.00 0.00 H new ATOM 0 HA PHE A 30 0.057 4.098 -3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.092 1.906 -3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.365 1.063 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.619 3.896 -1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.841 0.420 -2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.319 4.191 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.758 0.705 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.006 2.597 1.646 1.00 0.00 H new ATOM 404 N LYS A 31 2.520 2.386 -5.072 1.00 0.00 N ATOM 405 CA LYS A 31 4.003 2.418 -5.218 1.00 0.00 C ATOM 406 C LYS A 31 4.412 3.789 -5.757 1.00 0.00 C ATOM 407 O LYS A 31 5.388 4.374 -5.324 1.00 0.00 O ATOM 408 CB LYS A 31 4.451 1.322 -6.191 1.00 0.00 C ATOM 409 CG LYS A 31 4.383 -0.039 -5.492 1.00 0.00 C ATOM 410 CD LYS A 31 4.829 -1.139 -6.460 1.00 0.00 C ATOM 411 CE LYS A 31 4.916 -2.474 -5.714 1.00 0.01 C ATOM 412 NZ LYS A 31 3.741 -2.620 -4.811 1.00 0.00 N ATOM 0 H LYS A 31 2.039 1.673 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 31 4.476 2.244 -4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.812 1.322 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.468 1.517 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.022 -0.037 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.366 -0.233 -5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.123 -1.218 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.798 -0.888 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.945 -3.299 -6.426 1.00 0.01 H new ATOM 0 HE3 LYS A 31 5.839 -2.520 -5.136 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 3.720 -3.584 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.814 -1.934 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.867 -2.443 -5.347 1.00 0.00 H new ATOM 426 N ALA A 32 3.659 4.321 -6.678 1.00 0.00 N ATOM 427 CA ALA A 32 3.992 5.662 -7.223 1.00 0.00 C ATOM 428 C ALA A 32 3.793 6.693 -6.113 1.00 0.01 C ATOM 429 O ALA A 32 4.569 7.613 -5.955 1.00 0.00 O ATOM 430 CB ALA A 32 3.067 5.984 -8.398 1.00 0.00 C ATOM 0 H ALA A 32 2.828 3.884 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 32 5.024 5.681 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.313 6.968 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.196 5.234 -9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.031 5.979 -8.058 1.00 0.00 H new ATOM 436 N PHE A 33 2.760 6.539 -5.334 1.00 0.00 N ATOM 437 CA PHE A 33 2.516 7.500 -4.228 1.00 0.00 C ATOM 438 C PHE A 33 3.705 7.491 -3.264 1.00 0.00 C ATOM 439 O PHE A 33 4.133 8.520 -2.785 1.00 0.00 O ATOM 440 CB PHE A 33 1.254 7.106 -3.470 1.00 0.00 C ATOM 441 CG PHE A 33 1.036 8.095 -2.356 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.324 9.277 -2.596 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.559 7.837 -1.085 1.00 0.00 C ATOM 444 CE1 PHE A 33 0.141 10.201 -1.563 1.00 0.01 C ATOM 445 CE2 PHE A 33 1.372 8.757 -0.052 1.00 0.00 C ATOM 446 CZ PHE A 33 0.665 9.942 -0.290 1.00 0.00 C ATOM 0 H PHE A 33 2.075 5.788 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 33 2.392 8.499 -4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.396 7.098 -4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.353 6.098 -3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.083 9.474 -3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.108 6.925 -0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.405 11.115 -1.747 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.772 8.555 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.524 10.656 0.508 1.00 0.00 H new ATOM 456 N LEU A 34 4.243 6.338 -2.974 1.00 0.00 N ATOM 457 CA LEU A 34 5.406 6.276 -2.039 1.00 0.00 C ATOM 458 C LEU A 34 6.551 7.094 -2.629 1.00 0.00 C ATOM 459 O LEU A 34 7.254 7.797 -1.932 1.00 0.00 O ATOM 460 CB LEU A 34 5.877 4.830 -1.874 1.00 0.00 C ATOM 461 CG LEU A 34 4.809 3.974 -1.181 1.00 0.00 C ATOM 462 CD1 LEU A 34 5.253 2.508 -1.210 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.628 4.419 0.281 1.00 0.00 C ATOM 0 H LEU A 34 3.931 5.439 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 34 5.106 6.670 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.108 4.406 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.798 4.809 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 34 3.861 4.094 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.501 1.890 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.371 2.184 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.204 2.405 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.867 3.801 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.572 4.308 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.317 5.463 0.308 1.00 0.00 H new ATOM 475 N LYS A 35 6.738 7.003 -3.914 1.00 0.00 N ATOM 476 CA LYS A 35 7.835 7.767 -4.561 1.00 0.00 C ATOM 477 C LYS A 35 7.601 9.258 -4.311 1.00 0.01 C ATOM 478 O LYS A 35 8.528 10.016 -4.105 1.00 0.00 O ATOM 479 CB LYS A 35 7.833 7.469 -6.064 1.00 0.00 C ATOM 480 CG LYS A 35 8.215 6.001 -6.280 1.00 0.00 C ATOM 481 CD LYS A 35 8.222 5.677 -7.775 1.00 0.00 C ATOM 482 CE LYS A 35 8.484 4.182 -7.966 1.00 0.00 C ATOM 483 NZ LYS A 35 7.464 3.402 -7.208 1.00 0.01 N ATOM 0 H LYS A 35 6.177 6.431 -4.545 1.00 0.00 H new ATOM 0 HA LYS A 35 8.802 7.479 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.848 7.668 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.538 8.122 -6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.199 5.806 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.508 5.353 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.267 5.951 -8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.991 6.260 -8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.441 3.926 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.485 3.929 -7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.180 2.570 -7.764 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 7.868 3.091 -6.301 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 6.632 4.000 -7.030 1.00 0.01 H new ATOM 497 N SER A 36 6.367 9.679 -4.313 1.00 0.00 N ATOM 498 CA SER A 36 6.061 11.115 -4.057 1.00 0.00 C ATOM 499 C SER A 36 6.560 11.488 -2.659 1.00 0.00 C ATOM 500 O SER A 36 7.096 12.556 -2.438 1.00 0.00 O ATOM 501 CB SER A 36 4.554 11.341 -4.138 1.00 0.00 C ATOM 502 OG SER A 36 4.086 10.900 -5.405 1.00 0.00 O ATOM 0 H SER A 36 5.553 9.088 -4.482 1.00 0.00 H new ATOM 0 HA SER A 36 6.556 11.735 -4.804 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.049 10.797 -3.340 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.324 12.397 -3.999 1.00 0.00 H new ATOM 0 HG SER A 36 3.118 11.041 -5.463 1.00 0.00 H new ATOM 508 N GLU A 37 6.391 10.601 -1.711 1.00 0.00 N ATOM 509 CA GLU A 37 6.850 10.875 -0.316 1.00 0.00 C ATOM 510 C GLU A 37 8.190 10.171 -0.113 1.00 0.00 C ATOM 511 O GLU A 37 8.748 10.164 0.964 1.00 0.00 O ATOM 512 CB GLU A 37 5.834 10.306 0.680 1.00 0.00 C ATOM 513 CG GLU A 37 4.524 11.092 0.593 1.00 0.00 C ATOM 514 CD GLU A 37 3.517 10.514 1.590 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.801 9.470 2.153 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.475 11.124 1.770 1.00 0.00 O ATOM 0 H GLU A 37 5.951 9.691 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 37 6.948 11.949 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.652 9.253 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.234 10.360 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.704 12.145 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.122 11.039 -0.419 1.00 0.00 H new ATOM 523 N TYR A 38 8.702 9.583 -1.158 1.00 0.00 N ATOM 524 CA TYR A 38 10.006 8.872 -1.070 1.00 0.00 C ATOM 525 C TYR A 38 9.961 7.831 0.044 1.00 0.00 C ATOM 526 O TYR A 38 10.924 7.614 0.753 1.00 0.00 O ATOM 527 CB TYR A 38 11.114 9.892 -0.816 1.00 0.00 C ATOM 528 CG TYR A 38 11.158 10.841 -1.987 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.896 10.505 -3.129 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.447 12.045 -1.942 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.924 11.377 -4.224 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.474 12.915 -3.037 1.00 0.00 C ATOM 533 CZ TYR A 38 11.214 12.582 -4.178 1.00 0.01 C ATOM 534 OH TYR A 38 11.240 13.439 -5.259 1.00 0.00 O ATOM 0 H TYR A 38 8.266 9.565 -2.080 1.00 0.00 H new ATOM 0 HA TYR A 38 10.208 8.354 -2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.924 10.437 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.074 9.389 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.443 9.574 -3.165 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.877 12.303 -1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.494 11.120 -5.105 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.924 13.844 -3.002 1.00 0.00 H new ATOM 0 HH TYR A 38 10.694 14.229 -5.063 1.00 0.00 H new ATOM 544 N SER A 39 8.842 7.169 0.178 1.00 0.00 N ATOM 545 CA SER A 39 8.688 6.107 1.217 1.00 0.00 C ATOM 546 C SER A 39 8.655 4.752 0.506 1.00 0.00 C ATOM 547 O SER A 39 8.063 3.803 0.978 1.00 0.00 O ATOM 548 CB SER A 39 7.378 6.333 1.983 1.00 0.00 C ATOM 549 OG SER A 39 6.390 6.822 1.087 1.00 0.00 O ATOM 0 H SER A 39 8.014 7.322 -0.398 1.00 0.00 H new ATOM 0 HA SER A 39 9.516 6.136 1.925 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.044 5.401 2.438 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.535 7.045 2.793 1.00 0.00 H new ATOM 0 HG SER A 39 5.551 6.966 1.572 1.00 0.00 H new ATOM 555 N GLU A 40 9.283 4.667 -0.640 1.00 0.00 N ATOM 556 CA GLU A 40 9.284 3.385 -1.399 1.00 0.00 C ATOM 557 C GLU A 40 10.036 2.322 -0.607 1.00 0.00 C ATOM 558 O GLU A 40 9.869 1.144 -0.821 1.00 0.00 O ATOM 559 CB GLU A 40 9.952 3.593 -2.763 1.00 0.00 C ATOM 560 CG GLU A 40 11.383 4.091 -2.570 1.00 0.00 C ATOM 561 CD GLU A 40 12.012 4.361 -3.938 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.315 4.879 -4.796 1.00 0.00 O ATOM 563 OE2 GLU A 40 13.179 4.049 -4.105 1.00 0.00 O ATOM 0 H GLU A 40 9.794 5.432 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 40 8.257 3.055 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.956 2.658 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.383 4.314 -3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.386 5.001 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.969 3.349 -2.027 1.00 0.00 H new ATOM 570 N GLU A 41 10.851 2.713 0.323 1.00 0.00 N ATOM 571 CA GLU A 41 11.570 1.690 1.122 1.00 0.00 C ATOM 572 C GLU A 41 10.530 0.869 1.891 1.00 0.00 C ATOM 573 O GLU A 41 10.722 -0.298 2.168 1.00 0.00 O ATOM 574 CB GLU A 41 12.532 2.378 2.094 1.00 0.00 C ATOM 575 CG GLU A 41 11.764 3.370 2.970 1.00 0.00 C ATOM 576 CD GLU A 41 12.754 4.191 3.796 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.930 3.866 3.772 1.00 0.00 O ATOM 578 OE2 GLU A 41 12.324 5.138 4.432 1.00 0.00 O ATOM 0 H GLU A 41 11.050 3.684 0.564 1.00 0.00 H new ATOM 0 HA GLU A 41 12.151 1.035 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.026 1.634 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.313 2.898 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.159 4.029 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.079 2.836 3.629 1.00 0.00 H new ATOM 585 N ASN A 42 9.425 1.482 2.234 1.00 0.00 N ATOM 586 CA ASN A 42 8.355 0.759 2.984 1.00 0.00 C ATOM 587 C ASN A 42 7.810 -0.428 2.175 1.00 0.00 C ATOM 588 O ASN A 42 7.621 -1.502 2.708 1.00 0.00 O ATOM 589 CB ASN A 42 7.210 1.722 3.297 1.00 0.00 C ATOM 590 CG ASN A 42 7.654 2.710 4.375 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.473 2.386 5.211 1.00 0.00 O ATOM 592 ND2 ASN A 42 7.142 3.909 4.397 1.00 0.00 N ATOM 0 H ASN A 42 9.218 2.459 2.025 1.00 0.00 H new ATOM 0 HA ASN A 42 8.789 0.376 3.908 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.916 2.259 2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.336 1.166 3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.430 4.573 5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.454 4.183 3.695 1.00 0.00 H new ATOM 599 N ILE A 43 7.537 -0.258 0.903 1.00 0.00 N ATOM 600 CA ILE A 43 6.993 -1.411 0.126 1.00 0.00 C ATOM 601 C ILE A 43 8.085 -2.470 -0.017 1.00 0.00 C ATOM 602 O ILE A 43 7.830 -3.652 0.105 1.00 0.00 O ATOM 603 CB ILE A 43 6.468 -0.955 -1.253 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.498 -2.020 -1.810 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.625 -0.767 -2.246 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.190 -2.060 -0.996 1.00 0.00 C ATOM 0 H ILE A 43 7.664 0.609 0.381 1.00 0.00 H new ATOM 0 HA ILE A 43 6.146 -1.840 0.660 1.00 0.00 H new ATOM 0 HB ILE A 43 5.954 -0.002 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.274 -1.801 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.975 -3.000 -1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.229 -0.446 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.312 -0.011 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.156 -1.711 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.526 -2.819 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.415 -2.303 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.702 -1.086 -1.043 1.00 0.00 H new ATOM 618 N ASP A 44 9.305 -2.063 -0.242 1.00 0.00 N ATOM 619 CA ASP A 44 10.395 -3.068 -0.347 1.00 0.00 C ATOM 620 C ASP A 44 10.449 -3.813 0.986 1.00 0.00 C ATOM 621 O ASP A 44 10.565 -5.021 1.037 1.00 0.00 O ATOM 622 CB ASP A 44 11.729 -2.362 -0.598 1.00 0.00 C ATOM 623 CG ASP A 44 11.741 -1.777 -2.012 1.00 0.00 C ATOM 624 OD1 ASP A 44 11.073 -2.333 -2.869 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.416 -0.779 -2.213 1.00 0.00 O ATOM 0 H ASP A 44 9.590 -1.090 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 44 10.211 -3.756 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.876 -1.570 0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.553 -3.065 -0.477 1.00 0.00 H new ATOM 630 N PHE A 45 10.327 -3.088 2.067 1.00 0.00 N ATOM 631 CA PHE A 45 10.327 -3.727 3.411 1.00 0.00 C ATOM 632 C PHE A 45 9.100 -4.630 3.514 1.00 0.00 C ATOM 633 O PHE A 45 9.162 -5.733 4.018 1.00 0.00 O ATOM 634 CB PHE A 45 10.269 -2.635 4.484 1.00 0.00 C ATOM 635 CG PHE A 45 10.242 -3.255 5.863 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.440 -3.562 6.519 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.016 -3.515 6.486 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.410 -4.130 7.800 1.00 0.00 C ATOM 639 CE2 PHE A 45 8.985 -4.081 7.767 1.00 0.00 C ATOM 640 CZ PHE A 45 10.184 -4.389 8.425 1.00 0.00 C ATOM 0 H PHE A 45 10.227 -2.073 2.074 1.00 0.00 H new ATOM 0 HA PHE A 45 11.231 -4.319 3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.133 -1.977 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.382 -2.019 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.386 -3.361 6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.092 -3.279 5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.334 -4.368 8.306 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.038 -4.280 8.247 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.162 -4.825 9.413 1.00 0.00 H new ATOM 650 N TRP A 46 7.982 -4.164 3.024 1.00 0.00 N ATOM 651 CA TRP A 46 6.743 -4.988 3.072 1.00 0.00 C ATOM 652 C TRP A 46 6.981 -6.283 2.301 1.00 0.00 C ATOM 653 O TRP A 46 6.635 -7.355 2.750 1.00 0.00 O ATOM 654 CB TRP A 46 5.593 -4.217 2.423 1.00 0.00 C ATOM 655 CG TRP A 46 4.345 -5.037 2.485 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.683 -5.348 3.619 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.599 -5.645 1.394 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.579 -6.117 3.297 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.483 -6.326 1.936 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.780 -5.675 0.000 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.580 -7.011 1.125 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.872 -6.363 -0.819 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.774 -7.029 -0.258 1.00 0.00 C ATOM 0 H TRP A 46 7.875 -3.246 2.592 1.00 0.00 H new ATOM 0 HA TRP A 46 6.489 -5.213 4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.443 -3.267 2.936 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.837 -3.984 1.386 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.969 -5.046 4.616 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.917 -6.484 3.981 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.623 -5.165 -0.443 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.736 -7.524 1.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.020 -6.379 -1.889 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.078 -7.556 -0.895 1.00 0.00 H new ATOM 674 N ILE A 47 7.578 -6.196 1.140 1.00 0.00 N ATOM 675 CA ILE A 47 7.838 -7.430 0.347 1.00 0.00 C ATOM 676 C ILE A 47 8.762 -8.338 1.152 1.00 0.00 C ATOM 677 O ILE A 47 8.575 -9.536 1.212 1.00 0.00 O ATOM 678 CB ILE A 47 8.519 -7.060 -0.977 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.533 -6.287 -1.861 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.961 -8.340 -1.699 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.276 -5.697 -3.063 1.00 0.00 C ATOM 0 H ILE A 47 7.895 -5.327 0.710 1.00 0.00 H new ATOM 0 HA ILE A 47 6.898 -7.939 0.135 1.00 0.00 H new ATOM 0 HB ILE A 47 9.391 -6.437 -0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.737 -6.950 -2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.060 -5.491 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.445 -8.078 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.662 -8.889 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.090 -8.964 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.574 -5.148 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.056 -5.021 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.728 -6.502 -3.642 1.00 0.00 H new ATOM 693 N SER A 48 9.748 -7.772 1.788 1.00 0.00 N ATOM 694 CA SER A 48 10.670 -8.599 2.605 1.00 0.00 C ATOM 695 C SER A 48 9.884 -9.166 3.785 1.00 0.00 C ATOM 696 O SER A 48 10.071 -10.298 4.188 1.00 0.00 O ATOM 697 CB SER A 48 11.815 -7.730 3.121 1.00 0.00 C ATOM 698 OG SER A 48 11.300 -6.789 4.055 1.00 0.00 O ATOM 0 H SER A 48 9.953 -6.773 1.776 1.00 0.00 H new ATOM 0 HA SER A 48 11.084 -9.409 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.575 -8.352 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.297 -7.212 2.292 1.00 0.00 H new ATOM 0 HG SER A 48 10.401 -6.512 3.779 1.00 0.00 H new ATOM 704 N CYS A 49 8.996 -8.383 4.336 1.00 0.00 N ATOM 705 CA CYS A 49 8.184 -8.871 5.482 1.00 0.00 C ATOM 706 C CYS A 49 7.282 -10.016 5.017 1.00 0.00 C ATOM 707 O CYS A 49 7.094 -10.990 5.713 1.00 0.01 O ATOM 708 CB CYS A 49 7.316 -7.733 6.023 1.00 0.00 C ATOM 709 SG CYS A 49 6.154 -8.400 7.239 1.00 0.01 S ATOM 0 H CYS A 49 8.799 -7.427 4.040 1.00 0.00 H new ATOM 0 HA CYS A 49 8.850 -9.224 6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.942 -6.968 6.482 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.773 -7.254 5.208 1.00 0.00 H new ATOM 0 HG CYS A 49 6.486 -7.990 8.427 1.00 0.01 H new ATOM 715 N GLU A 50 6.723 -9.910 3.842 1.00 0.00 N ATOM 716 CA GLU A 50 5.835 -11.002 3.347 1.00 0.00 C ATOM 717 C GLU A 50 6.632 -12.301 3.271 1.00 0.01 C ATOM 718 O GLU A 50 6.194 -13.334 3.738 1.00 0.00 O ATOM 719 CB GLU A 50 5.301 -10.644 1.959 1.00 0.01 C ATOM 720 CG GLU A 50 4.264 -9.527 2.083 1.00 0.00 C ATOM 721 CD GLU A 50 3.747 -9.156 0.693 1.00 0.01 C ATOM 722 OE1 GLU A 50 4.378 -8.336 0.046 1.00 0.01 O ATOM 723 OE2 GLU A 50 2.727 -9.696 0.298 1.00 0.00 O ATOM 0 H GLU A 50 6.841 -9.121 3.207 1.00 0.00 H new ATOM 0 HA GLU A 50 4.995 -11.127 4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.120 -10.324 1.314 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.852 -11.521 1.493 1.00 0.01 H new ATOM 0 HG2 GLU A 50 3.438 -9.852 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.709 -8.655 2.562 1.00 0.00 H new ATOM 730 N GLU A 51 7.810 -12.259 2.715 1.00 0.01 N ATOM 731 CA GLU A 51 8.631 -13.495 2.646 1.00 0.00 C ATOM 732 C GLU A 51 8.871 -13.964 4.079 1.00 0.01 C ATOM 733 O GLU A 51 8.819 -15.138 4.387 1.00 0.00 O ATOM 734 CB GLU A 51 9.967 -13.190 1.966 1.00 0.00 C ATOM 735 CG GLU A 51 9.728 -12.911 0.479 1.00 0.00 C ATOM 736 CD GLU A 51 11.059 -12.604 -0.208 1.00 0.00 C ATOM 737 OE1 GLU A 51 12.043 -12.440 0.496 1.00 0.01 O ATOM 738 OE2 GLU A 51 11.074 -12.536 -1.425 1.00 0.00 O ATOM 0 H GLU A 51 8.236 -11.427 2.308 1.00 0.01 H new ATOM 0 HA GLU A 51 8.122 -14.267 2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.440 -12.328 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.649 -14.032 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.255 -13.773 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.045 -12.070 0.362 1.00 0.00 H new ATOM 745 N TYR A 52 9.115 -13.031 4.955 1.00 0.00 N ATOM 746 CA TYR A 52 9.342 -13.371 6.383 1.00 0.01 C ATOM 747 C TYR A 52 8.056 -13.970 6.962 1.00 0.01 C ATOM 748 O TYR A 52 8.087 -14.910 7.732 1.00 0.01 O ATOM 749 CB TYR A 52 9.704 -12.090 7.141 1.00 0.00 C ATOM 750 CG TYR A 52 10.169 -12.434 8.531 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.239 -12.598 9.563 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.534 -12.589 8.785 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.678 -12.919 10.853 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.974 -12.909 10.072 1.00 0.00 C ATOM 755 CZ TYR A 52 11.046 -13.075 11.107 1.00 0.01 C ATOM 756 OH TYR A 52 11.479 -13.395 12.377 1.00 0.01 O ATOM 0 H TYR A 52 9.167 -12.036 4.738 1.00 0.00 H new ATOM 0 HA TYR A 52 10.152 -14.094 6.478 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.487 -11.551 6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.839 -11.429 7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.184 -12.477 9.365 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.250 -12.461 7.986 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.962 -13.046 11.652 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.029 -13.028 10.268 1.00 0.00 H new ATOM 0 HH TYR A 52 10.720 -13.707 12.913 1.00 0.01 H new ATOM 766 N LYS A 53 6.925 -13.425 6.597 1.00 0.01 N ATOM 767 CA LYS A 53 5.627 -13.948 7.120 1.00 0.01 C ATOM 768 C LYS A 53 5.321 -15.329 6.530 1.00 0.01 C ATOM 769 O LYS A 53 4.540 -16.080 7.080 1.00 0.01 O ATOM 770 CB LYS A 53 4.498 -12.983 6.752 1.00 0.01 C ATOM 771 CG LYS A 53 4.625 -11.702 7.580 1.00 0.00 C ATOM 772 CD LYS A 53 3.638 -10.651 7.056 1.00 0.00 C ATOM 773 CE LYS A 53 2.199 -11.099 7.338 1.00 0.01 C ATOM 774 NZ LYS A 53 1.279 -9.930 7.222 1.00 0.00 N ATOM 0 H LYS A 53 6.844 -12.636 5.956 1.00 0.01 H new ATOM 0 HA LYS A 53 5.703 -14.037 8.204 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.541 -12.746 5.689 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.531 -13.452 6.935 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.423 -11.914 8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.644 -11.319 7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.829 -9.690 7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.780 -10.508 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.905 -11.877 6.634 1.00 0.01 H new ATOM 0 HE3 LYS A 53 2.131 -11.531 8.337 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 0.393 -10.134 7.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.729 -9.091 7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.073 -9.749 6.219 1.00 0.00 H new ATOM 788 N LYS A 54 5.912 -15.674 5.418 1.00 0.00 N ATOM 789 CA LYS A 54 5.622 -17.011 4.814 1.00 0.01 C ATOM 790 C LYS A 54 6.545 -18.058 5.438 1.00 0.01 C ATOM 791 O LYS A 54 6.162 -19.194 5.639 1.00 0.01 O ATOM 792 CB LYS A 54 5.866 -16.959 3.303 1.00 0.01 C ATOM 793 CG LYS A 54 4.790 -16.098 2.637 1.00 0.01 C ATOM 794 CD LYS A 54 5.038 -16.051 1.128 1.00 0.00 C ATOM 795 CE LYS A 54 3.965 -15.191 0.457 1.00 0.01 C ATOM 796 NZ LYS A 54 4.105 -13.782 0.924 1.00 0.01 N ATOM 0 H LYS A 54 6.577 -15.096 4.904 1.00 0.00 H new ATOM 0 HA LYS A 54 4.582 -17.275 5.004 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.854 -16.547 3.098 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.849 -17.966 2.887 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.802 -16.509 2.841 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.808 -15.090 3.051 1.00 0.01 H new ATOM 0 HD2 LYS A 54 6.027 -15.640 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.021 -17.060 0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.068 -15.240 -0.627 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.973 -15.571 0.700 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 3.966 -13.135 0.122 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 3.391 -13.586 1.654 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 5.055 -13.641 1.322 1.00 0.01 H new ATOM 810 N ILE A 55 7.749 -17.685 5.765 1.00 0.01 N ATOM 811 CA ILE A 55 8.679 -18.663 6.393 1.00 0.01 C ATOM 812 C ILE A 55 8.196 -18.950 7.815 1.00 0.00 C ATOM 813 O ILE A 55 8.168 -18.074 8.658 1.00 0.01 O ATOM 814 CB ILE A 55 10.088 -18.070 6.430 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.570 -17.827 4.998 1.00 0.01 C ATOM 816 CG2 ILE A 55 11.035 -19.046 7.125 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.861 -17.011 5.028 1.00 0.01 C ATOM 0 H ILE A 55 8.129 -16.749 5.625 1.00 0.01 H new ATOM 0 HA ILE A 55 8.700 -19.589 5.818 1.00 0.01 H new ATOM 0 HB ILE A 55 10.073 -17.128 6.978 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.740 -18.778 4.494 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.805 -17.297 4.430 1.00 0.01 H new ATOM 0 HG21 ILE A 55 12.039 -18.623 7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.690 -19.225 8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.053 -19.988 6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.205 -16.837 4.009 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.675 -16.054 5.516 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.625 -17.558 5.581 1.00 0.01 H new ATOM 829 N LYS A 56 7.798 -20.168 8.087 1.00 0.01 N ATOM 830 CA LYS A 56 7.293 -20.518 9.451 1.00 0.01 C ATOM 831 C LYS A 56 8.378 -21.236 10.258 1.00 0.01 C ATOM 832 O LYS A 56 8.162 -21.617 11.389 1.00 0.01 O ATOM 833 CB LYS A 56 6.067 -21.421 9.313 1.00 0.01 C ATOM 834 CG LYS A 56 4.913 -20.605 8.722 1.00 0.01 C ATOM 835 CD LYS A 56 3.670 -21.484 8.571 1.00 0.00 C ATOM 836 CE LYS A 56 2.529 -20.652 7.981 1.00 0.00 C ATOM 837 NZ LYS A 56 2.152 -19.572 8.939 1.00 0.00 N ATOM 0 H LYS A 56 7.801 -20.939 7.419 1.00 0.01 H new ATOM 0 HA LYS A 56 7.022 -19.603 9.977 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.295 -22.271 8.670 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.784 -21.824 10.286 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.691 -19.755 9.367 1.00 0.01 H new ATOM 0 HG3 LYS A 56 5.202 -20.201 7.752 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.888 -22.333 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.377 -21.888 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.836 -20.218 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.668 -21.289 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.195 -19.231 8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.171 -19.946 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.827 -18.785 8.858 1.00 0.00 H new ATOM 851 N SER A 57 9.541 -21.423 9.692 1.00 0.00 N ATOM 852 CA SER A 57 10.639 -22.112 10.440 1.00 0.01 C ATOM 853 C SER A 57 11.481 -21.047 11.176 1.00 0.01 C ATOM 854 O SER A 57 12.136 -20.256 10.530 1.00 0.00 O ATOM 855 CB SER A 57 11.539 -22.852 9.446 1.00 0.01 C ATOM 856 OG SER A 57 10.840 -23.970 8.920 1.00 0.01 O ATOM 0 H SER A 57 9.780 -21.129 8.745 1.00 0.00 H new ATOM 0 HA SER A 57 10.216 -22.819 11.153 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.836 -22.182 8.639 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.453 -23.180 9.941 1.00 0.01 H new ATOM 0 HG SER A 57 11.414 -24.444 8.282 1.00 0.01 H new ATOM 862 N PRO A 58 11.480 -20.991 12.502 1.00 0.00 N ATOM 863 CA PRO A 58 12.283 -19.948 13.204 1.00 0.01 C ATOM 864 C PRO A 58 13.791 -20.130 12.987 1.00 0.00 C ATOM 865 O PRO A 58 14.584 -19.279 13.336 1.00 0.00 O ATOM 866 CB PRO A 58 11.896 -20.147 14.685 1.00 0.01 C ATOM 867 CG PRO A 58 11.006 -21.403 14.797 1.00 0.01 C ATOM 868 CD PRO A 58 10.711 -21.927 13.379 1.00 0.01 C ATOM 0 HA PRO A 58 12.077 -18.943 12.835 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.790 -20.261 15.298 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.364 -19.272 15.058 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.508 -22.170 15.387 1.00 0.01 H new ATOM 0 HG3 PRO A 58 10.076 -21.162 15.312 1.00 0.01 H new ATOM 0 HD2 PRO A 58 11.041 -22.958 13.254 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.645 -21.904 13.155 1.00 0.01 H new ATOM 876 N SER A 59 14.191 -21.230 12.413 1.00 0.01 N ATOM 877 CA SER A 59 15.645 -21.454 12.176 1.00 0.01 C ATOM 878 C SER A 59 16.064 -20.743 10.887 1.00 0.01 C ATOM 879 O SER A 59 17.225 -20.455 10.676 1.00 0.01 O ATOM 880 CB SER A 59 15.914 -22.953 12.047 1.00 0.01 C ATOM 881 OG SER A 59 15.285 -23.442 10.868 1.00 0.01 O ATOM 0 H SER A 59 13.577 -21.981 12.099 1.00 0.01 H new ATOM 0 HA SER A 59 16.218 -21.055 13.013 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.987 -23.140 12.005 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.533 -23.480 12.922 1.00 0.01 H new ATOM 0 HG SER A 59 15.456 -24.403 10.780 1.00 0.01 H new ATOM 887 N LYS A 60 15.124 -20.457 10.023 1.00 0.00 N ATOM 888 CA LYS A 60 15.465 -19.762 8.744 1.00 0.00 C ATOM 889 C LYS A 60 15.253 -18.247 8.898 1.00 0.01 C ATOM 890 O LYS A 60 15.799 -17.458 8.151 1.00 0.01 O ATOM 891 CB LYS A 60 14.555 -20.289 7.630 1.00 0.01 C ATOM 892 CG LYS A 60 14.937 -21.733 7.294 1.00 0.01 C ATOM 893 CD LYS A 60 14.026 -22.257 6.180 1.00 0.01 C ATOM 894 CE LYS A 60 14.410 -23.700 5.848 1.00 0.01 C ATOM 895 NZ LYS A 60 14.147 -24.565 7.031 1.00 0.01 N ATOM 0 H LYS A 60 14.135 -20.674 10.147 1.00 0.00 H new ATOM 0 HA LYS A 60 16.509 -19.954 8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.513 -20.242 7.945 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.648 -19.662 6.743 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.979 -21.781 6.978 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.843 -22.361 8.180 1.00 0.01 H new ATOM 0 HD2 LYS A 60 12.984 -22.209 6.495 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.120 -21.630 5.293 1.00 0.01 H new ATOM 0 HE2 LYS A 60 13.837 -24.053 4.991 1.00 0.01 H new ATOM 0 HE3 LYS A 60 15.463 -23.754 5.571 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 14.077 -25.557 6.727 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 14.926 -24.466 7.713 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 13.255 -24.277 7.480 1.00 0.01 H new ATOM 909 N LEU A 61 14.460 -17.835 9.852 1.00 0.01 N ATOM 910 CA LEU A 61 14.208 -16.376 10.046 1.00 0.01 C ATOM 911 C LEU A 61 15.500 -15.671 10.471 1.00 0.01 C ATOM 912 O LEU A 61 15.785 -14.568 10.046 1.00 0.01 O ATOM 913 CB LEU A 61 13.148 -16.176 11.135 1.00 0.01 C ATOM 914 CG LEU A 61 11.838 -16.876 10.749 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.780 -16.584 11.818 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.341 -16.384 9.377 1.00 0.01 C ATOM 0 H LEU A 61 13.974 -18.448 10.507 1.00 0.01 H new ATOM 0 HA LEU A 61 13.856 -15.952 9.105 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.513 -16.573 12.082 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.968 -15.111 11.283 1.00 0.01 H new ATOM 0 HG LEU A 61 12.015 -17.950 10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.846 -17.078 11.550 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.125 -16.957 12.782 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.615 -15.508 11.883 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.411 -16.893 9.123 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.167 -15.309 9.417 1.00 0.01 H new ATOM 0 HD23 LEU A 61 12.093 -16.601 8.618 1.00 0.01 H new ATOM 928 N SER A 62 16.272 -16.289 11.319 1.00 0.00 N ATOM 929 CA SER A 62 17.535 -15.649 11.783 1.00 0.01 C ATOM 930 C SER A 62 18.380 -15.175 10.580 1.00 0.01 C ATOM 931 O SER A 62 18.616 -13.993 10.433 1.00 0.01 O ATOM 932 CB SER A 62 18.322 -16.638 12.659 1.00 0.01 C ATOM 933 OG SER A 62 18.076 -16.337 14.027 1.00 0.01 O ATOM 0 H SER A 62 16.083 -17.211 11.712 1.00 0.00 H new ATOM 0 HA SER A 62 17.293 -14.770 12.380 1.00 0.01 H new ATOM 0 HB2 SER A 62 18.019 -17.661 12.438 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.388 -16.567 12.443 1.00 0.01 H new ATOM 0 HG SER A 62 18.572 -16.963 14.594 1.00 0.01 H new ATOM 939 N PRO A 63 18.841 -16.068 9.729 1.00 0.00 N ATOM 940 CA PRO A 63 19.666 -15.652 8.559 1.00 0.00 C ATOM 941 C PRO A 63 19.109 -14.413 7.835 1.00 0.01 C ATOM 942 O PRO A 63 19.788 -13.414 7.695 1.00 0.00 O ATOM 943 CB PRO A 63 19.625 -16.906 7.659 1.00 0.01 C ATOM 944 CG PRO A 63 18.924 -18.040 8.437 1.00 0.01 C ATOM 945 CD PRO A 63 18.593 -17.532 9.852 1.00 0.01 C ATOM 0 HA PRO A 63 20.672 -15.346 8.846 1.00 0.00 H new ATOM 0 HB2 PRO A 63 19.089 -16.692 6.735 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.635 -17.206 7.379 1.00 0.01 H new ATOM 0 HG2 PRO A 63 18.013 -18.346 7.922 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.569 -18.917 8.491 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.562 -17.748 10.131 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.230 -17.990 10.608 1.00 0.01 H new ATOM 953 N LYS A 64 17.894 -14.473 7.356 1.00 0.01 N ATOM 954 CA LYS A 64 17.328 -13.300 6.627 1.00 0.01 C ATOM 955 C LYS A 64 17.038 -12.158 7.603 1.00 0.00 C ATOM 956 O LYS A 64 17.128 -10.998 7.253 1.00 0.00 O ATOM 957 CB LYS A 64 16.032 -13.700 5.916 1.00 0.00 C ATOM 958 CG LYS A 64 14.955 -14.045 6.949 1.00 0.01 C ATOM 959 CD LYS A 64 13.719 -14.606 6.240 1.00 0.01 C ATOM 960 CE LYS A 64 13.090 -13.533 5.336 1.00 0.01 C ATOM 961 NZ LYS A 64 13.788 -13.511 4.022 1.00 0.00 N ATOM 0 H LYS A 64 17.273 -15.278 7.437 1.00 0.01 H new ATOM 0 HA LYS A 64 18.059 -12.965 5.890 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.690 -12.884 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.213 -14.557 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.341 -14.775 7.660 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.686 -13.156 7.519 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.996 -15.476 5.645 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.990 -14.943 6.977 1.00 0.01 H new ATOM 0 HE2 LYS A 64 12.030 -13.741 5.192 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.161 -12.555 5.813 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 14.289 -12.606 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.472 -14.293 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.092 -13.618 3.257 1.00 0.00 H new ATOM 975 N ALA A 65 16.689 -12.465 8.819 1.00 0.00 N ATOM 976 CA ALA A 65 16.397 -11.378 9.791 1.00 0.01 C ATOM 977 C ALA A 65 17.630 -10.489 9.916 1.00 0.01 C ATOM 978 O ALA A 65 17.554 -9.279 9.816 1.00 0.01 O ATOM 979 CB ALA A 65 16.074 -11.982 11.158 1.00 0.01 C ATOM 0 H ALA A 65 16.594 -13.414 9.180 1.00 0.00 H new ATOM 0 HA ALA A 65 15.544 -10.794 9.444 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.861 -11.183 11.868 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.204 -12.633 11.072 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.927 -12.562 11.510 1.00 0.01 H new ATOM 985 N LYS A 66 18.768 -11.083 10.130 1.00 0.01 N ATOM 986 CA LYS A 66 20.011 -10.284 10.261 1.00 0.00 C ATOM 987 C LYS A 66 20.255 -9.505 8.967 1.00 0.01 C ATOM 988 O LYS A 66 20.580 -8.336 8.989 1.00 0.01 O ATOM 989 CB LYS A 66 21.184 -11.225 10.521 1.00 0.01 C ATOM 990 CG LYS A 66 21.053 -11.823 11.923 1.00 0.01 C ATOM 991 CD LYS A 66 22.227 -12.768 12.186 1.00 0.01 C ATOM 992 CE LYS A 66 22.094 -13.366 13.588 1.00 0.00 C ATOM 993 NZ LYS A 66 23.056 -14.495 13.735 1.00 0.00 N ATOM 0 H LYS A 66 18.890 -12.092 10.220 1.00 0.01 H new ATOM 0 HA LYS A 66 19.913 -9.583 11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.200 -12.019 9.775 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.126 -10.684 10.431 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.038 -11.028 12.669 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.110 -12.363 12.013 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.243 -13.562 11.440 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.170 -12.228 12.097 1.00 0.01 H new ATOM 0 HE2 LYS A 66 22.292 -12.604 14.341 1.00 0.00 H new ATOM 0 HE3 LYS A 66 21.075 -13.718 13.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.968 -14.904 14.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 22.846 -15.225 13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 24.026 -14.145 13.596 1.00 0.00 H new ATOM 1007 N LYS A 67 20.098 -10.145 7.838 1.00 0.00 N ATOM 1008 CA LYS A 67 20.322 -9.437 6.544 1.00 0.00 C ATOM 1009 C LYS A 67 19.314 -8.295 6.410 1.00 0.01 C ATOM 1010 O LYS A 67 19.672 -7.170 6.123 1.00 0.01 O ATOM 1011 CB LYS A 67 20.138 -10.422 5.388 1.00 0.00 C ATOM 1012 CG LYS A 67 21.284 -11.434 5.397 1.00 0.01 C ATOM 1013 CD LYS A 67 21.104 -12.423 4.243 1.00 0.00 C ATOM 1014 CE LYS A 67 22.253 -13.434 4.253 1.00 0.00 C ATOM 1015 NZ LYS A 67 22.267 -14.164 5.553 1.00 0.01 N ATOM 0 H LYS A 67 19.825 -11.124 7.756 1.00 0.00 H new ATOM 0 HA LYS A 67 21.334 -9.033 6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.182 -10.937 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.118 -9.886 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.239 -10.918 5.301 1.00 0.01 H new ATOM 0 HG3 LYS A 67 21.304 -11.968 6.347 1.00 0.01 H new ATOM 0 HD2 LYS A 67 20.149 -12.940 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.083 -11.889 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.137 -14.139 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.203 -12.921 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.500 -15.164 5.387 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.981 -13.742 6.181 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.330 -14.096 5.999 1.00 0.01 H new ATOM 1029 N ILE A 68 18.055 -8.572 6.622 1.00 0.01 N ATOM 1030 CA ILE A 68 17.031 -7.496 6.514 1.00 0.00 C ATOM 1031 C ILE A 68 17.250 -6.490 7.641 1.00 0.01 C ATOM 1032 O ILE A 68 17.252 -5.292 7.432 1.00 0.00 O ATOM 1033 CB ILE A 68 15.633 -8.105 6.647 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.392 -9.084 5.498 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.577 -6.995 6.590 1.00 0.00 C ATOM 1036 CD1 ILE A 68 14.143 -9.917 5.790 1.00 0.00 C ATOM 0 H ILE A 68 17.693 -9.494 6.865 1.00 0.01 H new ATOM 0 HA ILE A 68 17.120 -6.999 5.548 1.00 0.00 H new ATOM 0 HB ILE A 68 15.560 -8.629 7.600 1.00 0.01 H new ATOM 0 HG12 ILE A 68 15.268 -8.539 4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.256 -9.736 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.583 -7.433 6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.743 -6.292 7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.652 -6.470 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.971 -10.615 4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.285 -10.473 6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.281 -9.257 5.891 1.00 0.00 H new ATOM 1048 N TYR A 69 17.434 -6.975 8.836 1.00 0.00 N ATOM 1049 CA TYR A 69 17.655 -6.060 9.984 1.00 0.01 C ATOM 1050 C TYR A 69 18.903 -5.223 9.725 1.00 0.00 C ATOM 1051 O TYR A 69 18.899 -4.016 9.858 1.00 0.01 O ATOM 1052 CB TYR A 69 17.835 -6.885 11.258 1.00 0.01 C ATOM 1053 CG TYR A 69 18.196 -5.973 12.404 1.00 0.01 C ATOM 1054 CD1 TYR A 69 17.189 -5.404 13.191 1.00 0.00 C ATOM 1055 CD2 TYR A 69 19.539 -5.699 12.681 1.00 0.01 C ATOM 1056 CE1 TYR A 69 17.524 -4.560 14.255 1.00 0.01 C ATOM 1057 CE2 TYR A 69 19.876 -4.856 13.747 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.868 -4.287 14.534 1.00 0.01 C ATOM 1059 OH TYR A 69 19.201 -3.458 15.586 1.00 0.01 O ATOM 0 H TYR A 69 17.441 -7.969 9.066 1.00 0.00 H new ATOM 0 HA TYR A 69 16.797 -5.398 10.103 1.00 0.01 H new ATOM 0 HB2 TYR A 69 16.917 -7.426 11.486 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.617 -7.631 11.113 1.00 0.01 H new ATOM 0 HD1 TYR A 69 16.152 -5.617 12.977 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.316 -6.138 12.073 1.00 0.01 H new ATOM 0 HE1 TYR A 69 16.746 -4.119 14.861 1.00 0.01 H new ATOM 0 HE2 TYR A 69 20.913 -4.645 13.962 1.00 0.01 H new ATOM 0 HH TYR A 69 20.176 -3.375 15.641 1.00 0.01 H new ATOM 1069 N ASN A 70 19.977 -5.860 9.360 1.00 0.01 N ATOM 1070 CA ASN A 70 21.233 -5.113 9.095 1.00 0.00 C ATOM 1071 C ASN A 70 21.024 -4.153 7.919 1.00 0.00 C ATOM 1072 O ASN A 70 21.521 -3.049 7.906 1.00 0.01 O ATOM 1073 CB ASN A 70 22.351 -6.098 8.753 1.00 0.00 C ATOM 1074 CG ASN A 70 22.738 -6.885 10.006 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.624 -6.388 11.109 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.189 -8.104 9.883 1.00 0.01 N ATOM 0 H ASN A 70 20.039 -6.870 9.233 1.00 0.01 H new ATOM 0 HA ASN A 70 21.507 -4.544 9.983 1.00 0.00 H new ATOM 0 HB2 ASN A 70 22.022 -6.780 7.969 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.217 -5.561 8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.446 -8.639 10.713 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.285 -8.521 8.957 1.00 0.01 H new ATOM 1083 N GLU A 71 20.321 -4.576 6.910 1.00 0.00 N ATOM 1084 CA GLU A 71 20.117 -3.692 5.727 1.00 0.00 C ATOM 1085 C GLU A 71 19.075 -2.596 6.006 1.00 0.00 C ATOM 1086 O GLU A 71 19.348 -1.422 5.868 1.00 0.00 O ATOM 1087 CB GLU A 71 19.640 -4.541 4.545 1.00 0.00 C ATOM 1088 CG GLU A 71 19.577 -3.675 3.283 1.00 0.00 C ATOM 1089 CD GLU A 71 19.170 -4.539 2.087 1.00 0.00 C ATOM 1090 OE1 GLU A 71 19.010 -5.734 2.269 1.00 0.00 O ATOM 1091 OE2 GLU A 71 19.029 -3.990 1.006 1.00 0.00 O ATOM 0 H GLU A 71 19.878 -5.493 6.850 1.00 0.00 H new ATOM 0 HA GLU A 71 21.067 -3.208 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 71 20.319 -5.380 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.657 -4.961 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.860 -2.866 3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 71 20.547 -3.213 3.098 1.00 0.00 H new ATOM 1098 N PHE A 72 17.870 -2.971 6.338 1.00 0.00 N ATOM 1099 CA PHE A 72 16.792 -1.953 6.556 1.00 0.00 C ATOM 1100 C PHE A 72 16.756 -1.386 7.990 1.00 0.00 C ATOM 1101 O PHE A 72 16.349 -0.259 8.184 1.00 0.00 O ATOM 1102 CB PHE A 72 15.446 -2.611 6.246 1.00 0.00 C ATOM 1103 CG PHE A 72 15.364 -2.897 4.765 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.848 -4.110 4.261 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.816 -1.948 3.898 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.782 -4.373 2.887 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.749 -2.211 2.524 1.00 0.00 C ATOM 1108 CZ PHE A 72 15.232 -3.423 2.019 1.00 0.00 C ATOM 0 H PHE A 72 17.581 -3.940 6.469 1.00 0.00 H new ATOM 0 HA PHE A 72 17.001 -1.111 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.340 -3.535 6.814 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.629 -1.956 6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 72 16.272 -4.843 4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.444 -1.012 4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 72 16.155 -5.309 2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 72 14.324 -1.478 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 72 15.180 -3.625 0.959 1.00 0.00 H new ATOM 1118 N ILE A 73 17.121 -2.147 9.000 1.00 0.00 N ATOM 1119 CA ILE A 73 17.027 -1.611 10.409 1.00 0.00 C ATOM 1120 C ILE A 73 18.379 -1.128 10.953 1.00 0.00 C ATOM 1121 O ILE A 73 18.428 -0.497 11.991 1.00 0.01 O ATOM 1122 CB ILE A 73 16.480 -2.708 11.329 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.139 -3.231 10.777 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.282 -2.152 12.745 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.118 -2.092 10.636 1.00 0.00 C ATOM 0 H ILE A 73 17.474 -3.100 8.917 1.00 0.00 H new ATOM 0 HA ILE A 73 16.359 -0.750 10.384 1.00 0.00 H new ATOM 0 HB ILE A 73 17.194 -3.530 11.368 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.300 -3.702 9.807 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.743 -3.999 11.442 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.893 -2.937 13.393 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.237 -1.800 13.135 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.575 -1.323 12.715 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.181 -2.489 10.245 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.941 -1.639 11.612 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.506 -1.338 9.951 1.00 0.00 H new ATOM 1137 N SER A 74 19.479 -1.391 10.300 1.00 0.01 N ATOM 1138 CA SER A 74 20.769 -0.896 10.869 1.00 0.00 C ATOM 1139 C SER A 74 20.717 0.626 10.976 1.00 0.00 C ATOM 1140 O SER A 74 20.325 1.312 10.053 1.00 0.01 O ATOM 1141 CB SER A 74 21.951 -1.293 9.988 1.00 0.00 C ATOM 1142 OG SER A 74 23.129 -0.670 10.482 1.00 0.01 O ATOM 0 H SER A 74 19.544 -1.910 9.424 1.00 0.01 H new ATOM 0 HA SER A 74 20.905 -1.345 11.853 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.071 -2.376 9.986 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.770 -0.990 8.957 1.00 0.00 H new ATOM 0 HG SER A 74 23.892 -0.922 9.921 1.00 0.01 H new ATOM 1148 N VAL A 75 21.110 1.157 12.097 1.00 0.01 N ATOM 1149 CA VAL A 75 21.090 2.631 12.273 1.00 0.01 C ATOM 1150 C VAL A 75 21.991 3.290 11.224 1.00 0.00 C ATOM 1151 O VAL A 75 21.859 4.462 10.931 1.00 0.00 O ATOM 1152 CB VAL A 75 21.587 2.975 13.682 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.462 2.736 14.695 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.779 2.077 14.030 1.00 0.00 C ATOM 0 H VAL A 75 21.446 0.630 12.903 1.00 0.01 H new ATOM 0 HA VAL A 75 20.073 3.003 12.146 1.00 0.01 H new ATOM 0 HB VAL A 75 21.891 4.021 13.716 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.816 2.981 15.696 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.609 3.368 14.447 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.160 1.689 14.663 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.136 2.318 15.031 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.470 1.032 13.997 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.581 2.241 13.310 1.00 0.00 H new ATOM 1164 N GLN A 76 22.911 2.551 10.654 1.00 0.01 N ATOM 1165 CA GLN A 76 23.822 3.143 9.622 1.00 0.01 C ATOM 1166 C GLN A 76 23.288 2.818 8.225 1.00 0.01 C ATOM 1167 O GLN A 76 23.854 3.218 7.228 1.00 0.01 O ATOM 1168 CB GLN A 76 25.222 2.544 9.771 1.00 0.00 C ATOM 1169 CG GLN A 76 25.871 3.054 11.060 1.00 0.01 C ATOM 1170 CD GLN A 76 27.160 2.273 11.330 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.349 1.191 10.807 1.00 0.01 O ATOM 1172 NE2 GLN A 76 28.058 2.775 12.132 1.00 0.01 N ATOM 0 H GLN A 76 23.071 1.564 10.858 1.00 0.01 H new ATOM 0 HA GLN A 76 23.867 4.223 9.759 1.00 0.01 H new ATOM 0 HB2 GLN A 76 25.162 1.456 9.790 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.836 2.815 8.912 1.00 0.00 H new ATOM 0 HG2 GLN A 76 26.090 4.118 10.972 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.182 2.938 11.897 1.00 0.01 H new ATOM 0 HE21 GLN A 76 27.900 3.682 12.571 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.918 2.260 12.320 1.00 0.01 H new ATOM 1181 N ALA A 77 22.202 2.097 8.146 1.00 0.01 N ATOM 1182 CA ALA A 77 21.633 1.749 6.810 1.00 0.00 C ATOM 1183 C ALA A 77 21.418 3.026 5.995 1.00 0.01 C ATOM 1184 O ALA A 77 21.001 4.043 6.512 1.00 0.00 O ATOM 1185 CB ALA A 77 20.295 1.027 6.993 1.00 0.00 C ATOM 0 H ALA A 77 21.684 1.734 8.947 1.00 0.01 H new ATOM 0 HA ALA A 77 22.327 1.095 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.882 0.774 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 77 20.450 0.115 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.600 1.678 7.524 1.00 0.00 H new ATOM 1191 N THR A 78 21.701 2.982 4.723 1.00 0.01 N ATOM 1192 CA THR A 78 21.512 4.190 3.869 1.00 0.01 C ATOM 1193 C THR A 78 20.015 4.467 3.683 1.00 0.01 C ATOM 1194 O THR A 78 19.588 5.604 3.639 1.00 0.00 O ATOM 1195 CB THR A 78 22.158 3.951 2.504 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.524 2.849 1.868 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.646 3.652 2.688 1.00 0.01 C ATOM 0 H THR A 78 22.056 2.159 4.236 1.00 0.01 H new ATOM 0 HA THR A 78 21.979 5.049 4.352 1.00 0.01 H new ATOM 0 HB THR A 78 22.043 4.841 1.886 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.936 2.696 0.992 1.00 0.01 H new ATOM 0 HG21 THR A 78 24.106 3.482 1.715 1.00 0.01 H new ATOM 0 HG22 THR A 78 24.130 4.499 3.175 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.765 2.762 3.306 1.00 0.01 H new ATOM 1205 N LYS A 79 19.220 3.432 3.559 1.00 0.00 N ATOM 1206 CA LYS A 79 17.744 3.607 3.361 1.00 0.00 C ATOM 1207 C LYS A 79 16.991 3.170 4.622 1.00 0.00 C ATOM 1208 O LYS A 79 16.207 2.243 4.602 1.00 0.00 O ATOM 1209 CB LYS A 79 17.289 2.754 2.170 1.00 0.00 C ATOM 1210 CG LYS A 79 17.813 1.319 2.318 1.00 0.00 C ATOM 1211 CD LYS A 79 17.482 0.520 1.059 1.00 0.01 C ATOM 1212 CE LYS A 79 17.840 -0.952 1.280 1.00 0.00 C ATOM 1213 NZ LYS A 79 17.607 -1.714 0.021 1.00 0.00 N ATOM 0 H LYS A 79 19.533 2.462 3.587 1.00 0.00 H new ATOM 0 HA LYS A 79 17.529 4.657 3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.201 2.748 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.655 3.189 1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.891 1.330 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.363 0.845 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.422 0.616 0.823 1.00 0.01 H new ATOM 0 HD3 LYS A 79 18.036 0.916 0.208 1.00 0.01 H new ATOM 0 HE2 LYS A 79 18.883 -1.042 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.235 -1.367 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.050 -2.652 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.585 -1.825 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.024 -1.197 -0.780 1.00 0.00 H new ATOM 1227 N GLU A 80 17.211 3.834 5.722 1.00 0.00 N ATOM 1228 CA GLU A 80 16.500 3.446 6.972 1.00 0.00 C ATOM 1229 C GLU A 80 14.991 3.563 6.761 1.00 0.00 C ATOM 1230 O GLU A 80 14.509 4.487 6.136 1.00 0.00 O ATOM 1231 CB GLU A 80 16.922 4.370 8.119 1.00 0.00 C ATOM 1232 CG GLU A 80 18.324 3.990 8.592 1.00 0.00 C ATOM 1233 CD GLU A 80 18.750 4.919 9.729 1.00 0.01 C ATOM 1234 OE1 GLU A 80 19.307 5.964 9.436 1.00 0.00 O ATOM 1235 OE2 GLU A 80 18.514 4.570 10.874 1.00 0.01 O ATOM 0 H GLU A 80 17.849 4.625 5.810 1.00 0.00 H new ATOM 0 HA GLU A 80 16.757 2.417 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.908 5.408 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.214 4.289 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.336 2.954 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 80 19.030 4.063 7.765 1.00 0.00 H new ATOM 1242 N VAL A 81 14.238 2.631 7.282 1.00 0.00 N ATOM 1243 CA VAL A 81 12.758 2.690 7.119 1.00 0.00 C ATOM 1244 C VAL A 81 12.185 3.581 8.214 1.00 0.00 C ATOM 1245 O VAL A 81 12.645 3.576 9.339 1.00 0.00 O ATOM 1246 CB VAL A 81 12.159 1.281 7.234 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.358 0.533 5.916 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.854 0.514 8.361 1.00 0.00 C ATOM 0 H VAL A 81 14.585 1.832 7.813 1.00 0.00 H new ATOM 0 HA VAL A 81 12.511 3.095 6.138 1.00 0.00 H new ATOM 0 HB VAL A 81 11.094 1.361 7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.933 -0.467 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.860 1.074 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.423 0.458 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.426 -0.485 8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.920 0.436 8.145 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.712 1.044 9.303 1.00 0.00 H new ATOM 1258 N ASN A 82 11.192 4.356 7.895 1.00 0.00 N ATOM 1259 CA ASN A 82 10.602 5.257 8.915 1.00 0.00 C ATOM 1260 C ASN A 82 9.778 4.435 9.908 1.00 0.00 C ATOM 1261 O ASN A 82 8.743 3.885 9.581 1.00 0.00 O ATOM 1262 CB ASN A 82 9.716 6.292 8.219 1.00 0.00 C ATOM 1263 CG ASN A 82 8.938 5.618 7.087 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.607 4.452 7.170 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.631 6.309 6.023 1.00 0.00 N ATOM 0 H ASN A 82 10.763 4.404 6.971 1.00 0.00 H new ATOM 0 HA ASN A 82 11.394 5.772 9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.025 6.736 8.936 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.328 7.102 7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.113 5.870 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.909 7.288 5.953 1.00 0.00 H new ATOM 1272 N LEU A 83 10.240 4.354 11.125 1.00 0.00 N ATOM 1273 CA LEU A 83 9.516 3.582 12.176 1.00 0.00 C ATOM 1274 C LEU A 83 9.694 4.317 13.502 1.00 0.00 C ATOM 1275 O LEU A 83 10.482 5.236 13.604 1.00 0.00 O ATOM 1276 CB LEU A 83 10.117 2.173 12.302 1.00 0.01 C ATOM 1277 CG LEU A 83 9.796 1.332 11.055 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.581 0.016 11.123 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.286 1.028 10.983 1.00 0.00 C ATOM 0 H LEU A 83 11.103 4.797 11.441 1.00 0.00 H new ATOM 0 HA LEU A 83 8.461 3.495 11.915 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.197 2.243 12.431 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.721 1.681 13.190 1.00 0.01 H new ATOM 0 HG LEU A 83 10.081 1.892 10.164 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.359 -0.586 10.242 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.649 0.231 11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.294 -0.533 12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.077 0.432 10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.984 0.473 11.871 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.729 1.963 10.932 1.00 0.00 H new ATOM 1291 N ASP A 84 8.979 3.934 14.519 1.00 0.01 N ATOM 1292 CA ASP A 84 9.136 4.636 15.820 1.00 0.00 C ATOM 1293 C ASP A 84 10.495 4.263 16.417 1.00 0.00 C ATOM 1294 O ASP A 84 11.174 3.379 15.932 1.00 0.00 O ATOM 1295 CB ASP A 84 8.002 4.238 16.772 1.00 0.00 C ATOM 1296 CG ASP A 84 8.064 2.739 17.053 1.00 0.01 C ATOM 1297 OD1 ASP A 84 9.054 2.134 16.690 1.00 0.01 O ATOM 1298 OD2 ASP A 84 7.118 2.221 17.624 1.00 0.00 O ATOM 0 H ASP A 84 8.299 3.173 14.508 1.00 0.01 H new ATOM 0 HA ASP A 84 9.089 5.715 15.670 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.085 4.796 17.705 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.038 4.495 16.332 1.00 0.00 H new ATOM 1303 N SER A 85 10.910 4.948 17.441 1.00 0.00 N ATOM 1304 CA SER A 85 12.240 4.659 18.048 1.00 0.01 C ATOM 1305 C SER A 85 12.245 3.308 18.773 1.00 0.01 C ATOM 1306 O SER A 85 13.291 2.746 19.016 1.00 0.00 O ATOM 1307 CB SER A 85 12.583 5.763 19.048 1.00 0.01 C ATOM 1308 OG SER A 85 12.828 6.974 18.345 1.00 0.00 O ATOM 0 H SER A 85 10.385 5.700 17.888 1.00 0.00 H new ATOM 0 HA SER A 85 12.979 4.620 17.248 1.00 0.01 H new ATOM 0 HB2 SER A 85 11.763 5.898 19.753 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.461 5.483 19.630 1.00 0.01 H new ATOM 0 HG SER A 85 13.047 7.684 18.984 1.00 0.00 H new ATOM 1314 N CYS A 86 11.103 2.792 19.156 1.00 0.01 N ATOM 1315 CA CYS A 86 11.081 1.487 19.903 1.00 0.01 C ATOM 1316 C CYS A 86 10.929 0.279 18.959 1.00 0.00 C ATOM 1317 O CYS A 86 11.397 -0.803 19.256 1.00 0.01 O ATOM 1318 CB CYS A 86 9.914 1.496 20.893 1.00 0.01 C ATOM 1319 SG CYS A 86 8.361 1.760 20.002 1.00 0.01 S ATOM 0 H CYS A 86 10.189 3.211 18.987 1.00 0.01 H new ATOM 0 HA CYS A 86 12.033 1.386 20.423 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.877 0.551 21.435 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.058 2.283 21.633 1.00 0.01 H new ATOM 0 HG CYS A 86 7.372 1.765 20.846 1.00 0.01 H new ATOM 1325 N THR A 87 10.259 0.431 17.851 1.00 0.00 N ATOM 1326 CA THR A 87 10.057 -0.738 16.932 1.00 0.00 C ATOM 1327 C THR A 87 11.389 -1.311 16.436 1.00 0.00 C ATOM 1328 O THR A 87 11.545 -2.510 16.323 1.00 0.01 O ATOM 1329 CB THR A 87 9.227 -0.307 15.721 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.963 0.169 16.156 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.029 -1.500 14.787 1.00 0.00 C ATOM 0 H THR A 87 9.842 1.308 17.538 1.00 0.00 H new ATOM 0 HA THR A 87 9.538 -1.511 17.498 1.00 0.00 H new ATOM 0 HB THR A 87 9.750 0.488 15.189 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.492 -0.545 16.635 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.438 -1.193 13.924 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.000 -1.864 14.450 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.508 -2.296 15.319 1.00 0.00 H new ATOM 1339 N ARG A 88 12.343 -0.486 16.115 1.00 0.01 N ATOM 1340 CA ARG A 88 13.634 -1.034 15.606 1.00 0.00 C ATOM 1341 C ARG A 88 14.256 -1.939 16.672 1.00 0.00 C ATOM 1342 O ARG A 88 14.768 -3.000 16.375 1.00 0.01 O ATOM 1343 CB ARG A 88 14.583 0.119 15.280 1.00 0.00 C ATOM 1344 CG ARG A 88 13.950 0.988 14.190 1.00 0.00 C ATOM 1345 CD ARG A 88 14.905 2.117 13.802 1.00 0.00 C ATOM 1346 NE ARG A 88 16.071 1.554 13.068 1.00 0.01 N ATOM 1347 CZ ARG A 88 16.842 2.341 12.368 1.00 0.00 C ATOM 1348 NH1 ARG A 88 16.594 3.621 12.317 1.00 0.00 N ATOM 1349 NH2 ARG A 88 17.858 1.847 11.715 1.00 0.01 N ATOM 0 H ARG A 88 12.290 0.531 16.180 1.00 0.01 H new ATOM 0 HA ARG A 88 13.456 -1.616 14.702 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.774 0.714 16.173 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.545 -0.268 14.943 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.719 0.379 13.316 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.008 1.404 14.546 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.388 2.846 13.179 1.00 0.00 H new ATOM 0 HD3 ARG A 88 15.244 2.643 14.694 1.00 0.00 H new ATOM 0 HE ARG A 88 16.267 0.554 13.112 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.798 4.007 12.824 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.197 4.236 11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.050 0.846 11.752 1.00 0.01 H new ATOM 0 HH22 ARG A 88 18.460 2.462 11.168 1.00 0.01 H new ATOM 1363 N GLU A 89 14.202 -1.537 17.908 1.00 0.01 N ATOM 1364 CA GLU A 89 14.773 -2.380 18.996 1.00 0.01 C ATOM 1365 C GLU A 89 14.044 -3.720 19.024 1.00 0.01 C ATOM 1366 O GLU A 89 14.637 -4.758 19.239 1.00 0.00 O ATOM 1367 CB GLU A 89 14.597 -1.682 20.346 1.00 0.01 C ATOM 1368 CG GLU A 89 15.488 -0.438 20.399 1.00 0.01 C ATOM 1369 CD GLU A 89 14.871 0.660 19.533 1.00 0.01 C ATOM 1370 OE1 GLU A 89 13.742 0.482 19.106 1.00 0.01 O ATOM 1371 OE2 GLU A 89 15.538 1.655 19.308 1.00 0.01 O ATOM 0 H GLU A 89 13.786 -0.658 18.215 1.00 0.01 H new ATOM 0 HA GLU A 89 15.836 -2.536 18.810 1.00 0.01 H new ATOM 0 HB2 GLU A 89 13.554 -1.401 20.489 1.00 0.01 H new ATOM 0 HB3 GLU A 89 14.857 -2.363 21.156 1.00 0.01 H new ATOM 0 HG2 GLU A 89 15.589 -0.092 21.428 1.00 0.01 H new ATOM 0 HG3 GLU A 89 16.490 -0.678 20.043 1.00 0.01 H new ATOM 1378 N GLU A 90 12.754 -3.701 18.826 1.00 0.00 N ATOM 1379 CA GLU A 90 11.978 -4.971 18.864 1.00 0.01 C ATOM 1380 C GLU A 90 12.532 -5.946 17.826 1.00 0.01 C ATOM 1381 O GLU A 90 12.711 -7.115 18.103 1.00 0.01 O ATOM 1382 CB GLU A 90 10.507 -4.684 18.551 1.00 0.01 C ATOM 1383 CG GLU A 90 9.872 -3.920 19.714 1.00 0.00 C ATOM 1384 CD GLU A 90 9.768 -4.836 20.932 1.00 0.01 C ATOM 1385 OE1 GLU A 90 9.120 -5.863 20.821 1.00 0.01 O ATOM 1386 OE2 GLU A 90 10.335 -4.495 21.957 1.00 0.00 O ATOM 0 H GLU A 90 12.205 -2.862 18.640 1.00 0.00 H new ATOM 0 HA GLU A 90 12.062 -5.411 19.858 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.428 -4.101 17.634 1.00 0.01 H new ATOM 0 HB3 GLU A 90 9.972 -5.619 18.382 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.471 -3.042 19.956 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.882 -3.562 19.430 1.00 0.00 H new ATOM 1393 N THR A 91 12.820 -5.488 16.638 1.00 0.01 N ATOM 1394 CA THR A 91 13.373 -6.418 15.619 1.00 0.01 C ATOM 1395 C THR A 91 14.742 -6.898 16.103 1.00 0.01 C ATOM 1396 O THR A 91 15.087 -8.055 15.975 1.00 0.01 O ATOM 1397 CB THR A 91 13.515 -5.696 14.276 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.306 -5.011 13.983 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.795 -6.718 13.169 1.00 0.01 C ATOM 0 H THR A 91 12.698 -4.522 16.334 1.00 0.01 H new ATOM 0 HA THR A 91 12.705 -7.268 15.483 1.00 0.01 H new ATOM 0 HB THR A 91 14.340 -4.985 14.332 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.393 -4.546 13.125 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.896 -6.202 12.214 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.719 -7.252 13.392 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.970 -7.428 13.112 1.00 0.01 H new ATOM 1407 N SER A 92 15.519 -6.016 16.674 1.00 0.01 N ATOM 1408 CA SER A 92 16.858 -6.421 17.185 1.00 0.01 C ATOM 1409 C SER A 92 16.670 -7.453 18.297 1.00 0.01 C ATOM 1410 O SER A 92 17.400 -8.418 18.398 1.00 0.00 O ATOM 1411 CB SER A 92 17.582 -5.197 17.748 1.00 0.01 C ATOM 1412 OG SER A 92 17.008 -4.847 19.000 1.00 0.01 O ATOM 0 H SER A 92 15.283 -5.033 16.808 1.00 0.01 H new ATOM 0 HA SER A 92 17.449 -6.849 16.375 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.644 -5.412 17.869 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.503 -4.362 17.052 1.00 0.01 H new ATOM 0 HG SER A 92 16.031 -4.841 18.922 1.00 0.01 H new ATOM 1418 N ARG A 93 15.687 -7.251 19.131 1.00 0.01 N ATOM 1419 CA ARG A 93 15.430 -8.205 20.244 1.00 0.01 C ATOM 1420 C ARG A 93 15.004 -9.555 19.662 1.00 0.01 C ATOM 1421 O ARG A 93 15.298 -10.598 20.211 1.00 0.01 O ATOM 1422 CB ARG A 93 14.313 -7.651 21.138 1.00 0.00 C ATOM 1423 CG ARG A 93 14.796 -6.385 21.874 1.00 0.01 C ATOM 1424 CD ARG A 93 15.629 -6.751 23.112 1.00 0.01 C ATOM 1425 NE ARG A 93 14.896 -7.748 23.965 1.00 0.00 N ATOM 1426 CZ ARG A 93 13.699 -7.509 24.435 1.00 0.01 C ATOM 1427 NH1 ARG A 93 13.162 -6.323 24.329 1.00 0.00 N ATOM 1428 NH2 ARG A 93 13.055 -8.453 25.067 1.00 0.01 N ATOM 0 H ARG A 93 15.046 -6.459 19.088 1.00 0.01 H new ATOM 0 HA ARG A 93 16.336 -8.335 20.836 1.00 0.01 H new ATOM 0 HB2 ARG A 93 13.437 -7.417 20.534 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.008 -8.407 21.862 1.00 0.00 H new ATOM 0 HG2 ARG A 93 15.393 -5.773 21.198 1.00 0.01 H new ATOM 0 HG3 ARG A 93 13.937 -5.785 22.174 1.00 0.01 H new ATOM 0 HD2 ARG A 93 16.589 -7.165 22.802 1.00 0.01 H new ATOM 0 HD3 ARG A 93 15.841 -5.853 23.693 1.00 0.01 H new ATOM 0 HE ARG A 93 15.345 -8.637 24.184 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.677 -5.569 23.875 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.228 -6.151 24.700 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.486 -9.369 25.191 1.00 0.01 H new ATOM 0 HH22 ARG A 93 12.121 -8.274 25.436 1.00 0.01 H new ATOM 1442 N ASN A 94 14.314 -9.544 18.555 1.00 0.01 N ATOM 1443 CA ASN A 94 13.871 -10.828 17.945 1.00 0.01 C ATOM 1444 C ASN A 94 15.097 -11.656 17.575 1.00 0.01 C ATOM 1445 O ASN A 94 15.012 -12.848 17.355 1.00 0.01 O ATOM 1446 CB ASN A 94 13.049 -10.548 16.687 1.00 0.01 C ATOM 1447 CG ASN A 94 11.705 -9.933 17.084 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.368 -8.850 16.652 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.921 -10.584 17.899 1.00 0.01 N ATOM 0 H ASN A 94 14.039 -8.703 18.048 1.00 0.01 H new ATOM 0 HA ASN A 94 13.257 -11.376 18.660 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.591 -9.870 16.028 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.889 -11.472 16.131 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.024 -10.183 18.173 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.205 -11.494 18.262 1.00 0.01 H new ATOM 1456 N MET A 95 16.244 -11.036 17.519 1.00 0.01 N ATOM 1457 CA MET A 95 17.478 -11.794 17.177 1.00 0.01 C ATOM 1458 C MET A 95 17.675 -12.887 18.228 1.00 0.01 C ATOM 1459 O MET A 95 18.044 -14.003 17.923 1.00 0.01 O ATOM 1460 CB MET A 95 18.679 -10.849 17.195 1.00 0.01 C ATOM 1461 CG MET A 95 18.542 -9.821 16.071 1.00 0.01 C ATOM 1462 SD MET A 95 18.805 -10.627 14.472 1.00 0.01 S ATOM 1463 CE MET A 95 18.560 -9.162 13.434 1.00 0.01 C ATOM 0 H MET A 95 16.379 -10.040 17.695 1.00 0.01 H new ATOM 0 HA MET A 95 17.387 -12.235 16.184 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.741 -10.343 18.158 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.602 -11.416 17.072 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.552 -9.365 16.101 1.00 0.01 H new ATOM 0 HG3 MET A 95 19.267 -9.019 16.208 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.073 -9.453 12.503 1.00 0.01 H new ATOM 0 HE2 MET A 95 17.934 -8.443 13.962 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.526 -8.708 13.211 1.00 0.01 H new ATOM 1473 N LEU A 96 17.417 -12.569 19.467 1.00 0.01 N ATOM 1474 CA LEU A 96 17.569 -13.581 20.548 1.00 0.01 C ATOM 1475 C LEU A 96 16.542 -14.694 20.327 1.00 0.01 C ATOM 1476 O LEU A 96 16.821 -15.860 20.523 1.00 0.01 O ATOM 1477 CB LEU A 96 17.320 -12.922 21.908 1.00 0.01 C ATOM 1478 CG LEU A 96 18.519 -12.045 22.295 1.00 0.01 C ATOM 1479 CD1 LEU A 96 18.602 -10.824 21.369 1.00 0.01 C ATOM 1480 CD2 LEU A 96 18.350 -11.576 23.744 1.00 0.01 C ATOM 0 H LEU A 96 17.106 -11.648 19.777 1.00 0.01 H new ATOM 0 HA LEU A 96 18.578 -13.994 20.529 1.00 0.01 H new ATOM 0 HB2 LEU A 96 16.414 -12.317 21.867 1.00 0.01 H new ATOM 0 HB3 LEU A 96 17.158 -13.687 22.668 1.00 0.01 H new ATOM 0 HG LEU A 96 19.436 -12.626 22.196 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.456 -10.209 21.653 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.721 -11.157 20.338 1.00 0.01 H new ATOM 0 HD13 LEU A 96 17.688 -10.237 21.457 1.00 0.01 H new ATOM 0 HD21 LEU A 96 19.198 -10.952 24.026 1.00 0.01 H new ATOM 0 HD22 LEU A 96 17.430 -10.999 23.835 1.00 0.01 H new ATOM 0 HD23 LEU A 96 18.302 -12.442 24.404 1.00 0.01 H new ATOM 1492 N GLU A 97 15.350 -14.335 19.921 1.00 0.01 N ATOM 1493 CA GLU A 97 14.284 -15.359 19.684 1.00 0.01 C ATOM 1494 C GLU A 97 13.489 -14.983 18.427 1.00 0.01 C ATOM 1495 O GLU A 97 12.392 -14.473 18.522 1.00 0.01 O ATOM 1496 CB GLU A 97 13.329 -15.384 20.879 1.00 0.01 C ATOM 1497 CG GLU A 97 14.091 -15.784 22.144 1.00 0.01 C ATOM 1498 CD GLU A 97 13.140 -15.749 23.340 1.00 0.01 C ATOM 1499 OE1 GLU A 97 12.142 -15.052 23.258 1.00 0.01 O ATOM 1500 OE2 GLU A 97 13.425 -16.418 24.320 1.00 0.01 O ATOM 0 H GLU A 97 15.067 -13.371 19.742 1.00 0.01 H new ATOM 0 HA GLU A 97 14.746 -16.338 19.555 1.00 0.01 H new ATOM 0 HB2 GLU A 97 12.874 -14.403 21.013 1.00 0.01 H new ATOM 0 HB3 GLU A 97 12.518 -16.089 20.694 1.00 0.01 H new ATOM 0 HG2 GLU A 97 14.511 -16.783 22.028 1.00 0.01 H new ATOM 0 HG3 GLU A 97 14.927 -15.104 22.309 1.00 0.01 H new ATOM 1507 N PRO A 98 14.029 -15.228 17.255 1.00 0.01 N ATOM 1508 CA PRO A 98 13.313 -14.887 15.993 1.00 0.01 C ATOM 1509 C PRO A 98 11.982 -15.643 15.860 1.00 0.01 C ATOM 1510 O PRO A 98 11.946 -16.859 15.839 1.00 0.01 O ATOM 1511 CB PRO A 98 14.325 -15.311 14.906 1.00 0.00 C ATOM 1512 CG PRO A 98 15.645 -15.701 15.598 1.00 0.01 C ATOM 1513 CD PRO A 98 15.377 -15.848 17.105 1.00 0.01 C ATOM 0 HA PRO A 98 13.029 -13.836 15.934 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.935 -16.151 14.332 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.492 -14.494 14.203 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.027 -16.636 15.188 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.406 -14.941 15.420 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.381 -16.892 17.418 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.129 -15.334 17.703 1.00 0.01 H new ATOM 1521 N THR A 99 10.891 -14.924 15.768 1.00 0.01 N ATOM 1522 CA THR A 99 9.547 -15.568 15.635 1.00 0.01 C ATOM 1523 C THR A 99 8.841 -15.000 14.404 1.00 0.01 C ATOM 1524 O THR A 99 9.302 -14.055 13.794 1.00 0.01 O ATOM 1525 CB THR A 99 8.710 -15.266 16.882 1.00 0.00 C ATOM 1526 OG1 THR A 99 8.593 -13.859 17.043 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.381 -15.870 18.120 1.00 0.00 C ATOM 0 H THR A 99 10.874 -13.904 15.780 1.00 0.01 H new ATOM 0 HA THR A 99 9.666 -16.646 15.530 1.00 0.01 H new ATOM 0 HB THR A 99 7.719 -15.704 16.764 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.645 -13.610 17.066 1.00 0.01 H new ATOM 0 HG21 THR A 99 8.780 -15.651 19.003 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.466 -16.950 17.997 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.375 -15.439 18.242 1.00 0.00 H new ATOM 1535 N ILE A 100 7.726 -15.565 14.034 1.00 0.00 N ATOM 1536 CA ILE A 100 6.996 -15.055 12.843 1.00 0.01 C ATOM 1537 C ILE A 100 6.394 -13.686 13.177 1.00 0.01 C ATOM 1538 O ILE A 100 6.023 -12.926 12.305 1.00 0.01 O ATOM 1539 CB ILE A 100 5.883 -16.042 12.459 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.319 -15.683 11.074 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.753 -15.983 13.492 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.357 -15.964 9.974 1.00 0.01 C ATOM 0 H ILE A 100 7.290 -16.357 14.505 1.00 0.00 H new ATOM 0 HA ILE A 100 7.682 -14.954 12.002 1.00 0.01 H new ATOM 0 HB ILE A 100 6.301 -17.048 12.433 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.415 -16.261 10.883 1.00 0.01 H new ATOM 0 HG13 ILE A 100 5.035 -14.631 11.053 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.968 -16.686 13.213 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.144 -16.248 14.474 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.342 -14.974 13.525 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.937 -15.703 9.002 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.250 -15.367 10.156 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.620 -17.022 9.983 1.00 0.01 H new ATOM 1554 N THR A 101 6.288 -13.373 14.442 1.00 0.00 N ATOM 1555 CA THR A 101 5.699 -12.063 14.849 1.00 0.01 C ATOM 1556 C THR A 101 6.804 -11.008 14.961 1.00 0.01 C ATOM 1557 O THR A 101 6.558 -9.871 15.308 1.00 0.01 O ATOM 1558 CB THR A 101 5.018 -12.222 16.210 1.00 0.01 C ATOM 1559 OG1 THR A 101 5.980 -12.631 17.173 1.00 0.00 O ATOM 1560 CG2 THR A 101 3.918 -13.279 16.104 1.00 0.01 C ATOM 0 H THR A 101 6.585 -13.971 15.213 1.00 0.00 H new ATOM 0 HA THR A 101 4.972 -11.746 14.101 1.00 0.01 H new ATOM 0 HB THR A 101 4.581 -11.271 16.515 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.546 -12.732 18.046 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.430 -13.395 17.072 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.183 -12.966 15.363 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.356 -14.230 15.802 1.00 0.01 H new ATOM 1568 N CYS A 102 8.018 -11.383 14.675 1.00 0.00 N ATOM 1569 CA CYS A 102 9.145 -10.412 14.767 1.00 0.00 C ATOM 1570 C CYS A 102 8.922 -9.236 13.807 1.00 0.01 C ATOM 1571 O CYS A 102 9.062 -8.089 14.183 1.00 0.01 O ATOM 1572 CB CYS A 102 10.451 -11.126 14.405 1.00 0.00 C ATOM 1573 SG CYS A 102 11.758 -9.910 14.100 1.00 0.01 S ATOM 0 H CYS A 102 8.281 -12.324 14.380 1.00 0.00 H new ATOM 0 HA CYS A 102 9.199 -10.025 15.785 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.746 -11.794 15.214 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.304 -11.744 13.519 1.00 0.00 H new ATOM 0 HG CYS A 102 11.690 -8.967 14.992 1.00 0.01 H new ATOM 1579 N PHE A 103 8.602 -9.503 12.566 1.00 0.00 N ATOM 1580 CA PHE A 103 8.401 -8.389 11.586 1.00 0.01 C ATOM 1581 C PHE A 103 6.924 -7.999 11.507 1.00 0.01 C ATOM 1582 O PHE A 103 6.565 -7.040 10.852 1.00 0.00 O ATOM 1583 CB PHE A 103 8.893 -8.836 10.206 1.00 0.00 C ATOM 1584 CG PHE A 103 10.406 -8.820 10.188 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.122 -9.791 10.899 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.092 -7.834 9.469 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.523 -9.774 10.891 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.491 -7.818 9.460 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.206 -8.787 10.172 1.00 0.00 C ATOM 0 H PHE A 103 8.471 -10.441 12.188 1.00 0.00 H new ATOM 0 HA PHE A 103 8.969 -7.520 11.918 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.525 -9.837 9.982 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.501 -8.173 9.435 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.594 -10.553 11.453 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.541 -7.085 8.921 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.075 -10.522 11.440 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.019 -7.058 8.903 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.286 -8.773 10.167 1.00 0.00 H new ATOM 1599 N ASP A 104 6.060 -8.710 12.175 1.00 0.01 N ATOM 1600 CA ASP A 104 4.620 -8.335 12.128 1.00 0.01 C ATOM 1601 C ASP A 104 4.443 -6.985 12.822 1.00 0.00 C ATOM 1602 O ASP A 104 3.695 -6.138 12.377 1.00 0.01 O ATOM 1603 CB ASP A 104 3.772 -9.391 12.837 1.00 0.01 C ATOM 1604 CG ASP A 104 3.756 -10.673 12.004 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.218 -10.628 10.876 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.274 -11.677 12.504 1.00 0.00 O ATOM 0 H ASP A 104 6.285 -9.525 12.745 1.00 0.01 H new ATOM 0 HA ASP A 104 4.295 -8.270 11.089 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.178 -9.593 13.828 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.756 -9.023 12.978 1.00 0.01 H new ATOM 1611 N GLU A 105 5.137 -6.776 13.910 1.00 0.00 N ATOM 1612 CA GLU A 105 5.018 -5.482 14.633 1.00 0.00 C ATOM 1613 C GLU A 105 5.492 -4.360 13.714 1.00 0.00 C ATOM 1614 O GLU A 105 4.913 -3.292 13.671 1.00 0.01 O ATOM 1615 CB GLU A 105 5.889 -5.522 15.891 1.00 0.00 C ATOM 1616 CG GLU A 105 5.756 -4.202 16.654 1.00 0.00 C ATOM 1617 CD GLU A 105 6.565 -4.281 17.950 1.00 0.01 C ATOM 1618 OE1 GLU A 105 7.145 -5.325 18.200 1.00 0.01 O ATOM 1619 OE2 GLU A 105 6.595 -3.295 18.669 1.00 0.00 O ATOM 0 H GLU A 105 5.781 -7.448 14.327 1.00 0.00 H new ATOM 0 HA GLU A 105 3.981 -5.308 14.921 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.586 -6.353 16.528 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.931 -5.692 15.618 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.113 -3.376 16.039 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.708 -4.003 16.878 1.00 0.00 H new ATOM 1626 N ALA A 106 6.539 -4.593 12.975 1.00 0.00 N ATOM 1627 CA ALA A 106 7.041 -3.541 12.055 1.00 0.00 C ATOM 1628 C ALA A 106 6.058 -3.386 10.900 1.00 0.00 C ATOM 1629 O ALA A 106 5.740 -2.292 10.486 1.00 0.00 O ATOM 1630 CB ALA A 106 8.412 -3.946 11.510 1.00 0.00 C ATOM 0 H ALA A 106 7.067 -5.466 12.969 1.00 0.00 H new ATOM 0 HA ALA A 106 7.135 -2.596 12.591 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.778 -3.172 10.835 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.111 -4.067 12.337 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.325 -4.888 10.969 1.00 0.00 H new ATOM 1636 N GLN A 107 5.561 -4.476 10.386 1.00 0.00 N ATOM 1637 CA GLN A 107 4.588 -4.388 9.268 1.00 0.00 C ATOM 1638 C GLN A 107 3.374 -3.597 9.741 1.00 0.00 C ATOM 1639 O GLN A 107 2.828 -2.780 9.027 1.00 0.00 O ATOM 1640 CB GLN A 107 4.151 -5.796 8.864 1.00 0.00 C ATOM 1641 CG GLN A 107 3.162 -5.711 7.702 1.00 0.00 C ATOM 1642 CD GLN A 107 2.797 -7.119 7.238 1.00 0.00 C ATOM 1643 OE1 GLN A 107 2.347 -7.930 8.021 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.981 -7.448 5.989 1.00 0.00 N ATOM 0 H GLN A 107 5.788 -5.422 10.693 1.00 0.00 H new ATOM 0 HA GLN A 107 5.046 -3.893 8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.019 -6.388 8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.689 -6.302 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.265 -5.175 8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.600 -5.148 6.878 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.359 -6.765 5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.747 -8.388 5.669 1.00 0.00 H new ATOM 1653 N LYS A 108 2.956 -3.834 10.951 1.00 0.00 N ATOM 1654 CA LYS A 108 1.786 -3.105 11.496 1.00 0.00 C ATOM 1655 C LYS A 108 2.092 -1.608 11.491 1.00 0.00 C ATOM 1656 O LYS A 108 1.249 -0.790 11.177 1.00 0.00 O ATOM 1657 CB LYS A 108 1.527 -3.586 12.922 1.00 0.00 C ATOM 1658 CG LYS A 108 0.288 -2.899 13.489 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.029 -3.495 14.860 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.273 -2.820 15.439 1.00 0.00 C ATOM 1661 NZ LYS A 108 -1.626 -3.465 16.736 1.00 0.00 N ATOM 0 H LYS A 108 3.380 -4.508 11.589 1.00 0.00 H new ATOM 0 HA LYS A 108 0.901 -3.292 10.888 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.389 -4.667 12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.392 -3.370 13.550 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.459 -1.826 13.576 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.558 -3.033 12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.194 -4.569 14.771 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.818 -3.357 15.532 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.088 -1.756 15.587 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.105 -2.904 14.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.472 -3.008 17.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.819 -4.475 16.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.833 -3.363 17.402 1.00 0.00 H new ATOM 1675 N LYS A 109 3.298 -1.245 11.831 1.00 0.01 N ATOM 1676 CA LYS A 109 3.668 0.196 11.835 1.00 0.00 C ATOM 1677 C LYS A 109 3.646 0.718 10.398 1.00 0.00 C ATOM 1678 O LYS A 109 3.193 1.815 10.138 1.00 0.00 O ATOM 1679 CB LYS A 109 5.065 0.381 12.443 1.00 0.00 C ATOM 1680 CG LYS A 109 5.060 -0.030 13.927 1.00 0.00 C ATOM 1681 CD LYS A 109 4.384 1.050 14.788 1.00 0.01 C ATOM 1682 CE LYS A 109 4.645 0.762 16.268 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.102 1.877 17.094 1.00 0.01 N ATOM 0 H LYS A 109 4.043 -1.885 12.106 1.00 0.01 H new ATOM 0 HA LYS A 109 2.953 0.756 12.438 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.790 -0.220 11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.376 1.421 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.535 -0.978 14.045 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.083 -0.188 14.269 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.771 2.034 14.525 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.312 1.066 14.594 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.176 -0.179 16.555 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.715 0.652 16.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.884 2.366 17.575 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 3.598 2.549 16.481 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 3.444 1.495 17.803 1.00 0.01 H new ATOM 1697 N ILE A 110 4.111 -0.058 9.450 1.00 0.00 N ATOM 1698 CA ILE A 110 4.079 0.424 8.042 1.00 0.00 C ATOM 1699 C ILE A 110 2.616 0.608 7.642 1.00 0.00 C ATOM 1700 O ILE A 110 2.246 1.605 7.054 1.00 0.00 O ATOM 1701 CB ILE A 110 4.743 -0.604 7.114 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.222 -0.800 7.501 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.646 -0.127 5.658 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.972 0.541 7.510 1.00 0.00 C ATOM 0 H ILE A 110 4.504 -0.989 9.590 1.00 0.00 H new ATOM 0 HA ILE A 110 4.622 1.365 7.956 1.00 0.00 H new ATOM 0 HB ILE A 110 4.224 -1.557 7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.285 -1.263 8.486 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.698 -1.482 6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.118 -0.859 5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.598 -0.015 5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.153 0.832 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.013 0.374 7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.927 0.989 6.518 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.508 1.212 8.233 1.00 0.00 H new ATOM 1716 N PHE A 111 1.772 -0.331 7.981 1.00 0.00 N ATOM 1717 CA PHE A 111 0.330 -0.183 7.643 1.00 0.00 C ATOM 1718 C PHE A 111 -0.198 1.084 8.325 1.00 0.00 C ATOM 1719 O PHE A 111 -0.797 1.938 7.702 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.445 -1.422 8.158 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.720 -2.381 7.020 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.317 -2.761 6.163 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.015 -2.883 6.821 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.064 -3.638 5.105 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.266 -3.761 5.764 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.230 -4.140 4.905 1.00 0.00 C ATOM 0 H PHE A 111 2.019 -1.189 8.475 1.00 0.00 H new ATOM 0 HA PHE A 111 0.197 -0.105 6.564 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.133 -1.924 8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.384 -1.108 8.613 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.314 -2.377 6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.816 -2.591 7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.865 -3.929 4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.262 -4.148 5.610 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.426 -4.819 4.088 1.00 0.00 H new ATOM 1736 N ASN A 112 0.032 1.203 9.601 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.439 2.402 10.341 1.00 0.00 C ATOM 1738 C ASN A 112 0.240 3.653 9.786 1.00 0.00 C ATOM 1739 O ASN A 112 -0.365 4.698 9.668 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.108 2.250 11.826 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.046 1.215 12.449 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.142 1.541 12.857 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.663 -0.027 12.532 1.00 0.00 N ATOM 0 H ASN A 112 0.530 0.515 10.166 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.518 2.499 10.220 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.929 1.939 11.949 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.216 3.208 12.334 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.284 -0.726 12.940 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.258 -0.301 12.189 1.00 0.00 H new ATOM 1750 N LEU A 113 1.502 3.568 9.469 1.00 0.00 N ATOM 1751 CA LEU A 113 2.210 4.770 8.954 1.00 0.00 C ATOM 1752 C LEU A 113 1.545 5.270 7.670 1.00 0.00 C ATOM 1753 O LEU A 113 1.114 6.404 7.592 1.00 0.00 O ATOM 1754 CB LEU A 113 3.673 4.407 8.668 1.00 0.00 C ATOM 1755 CG LEU A 113 4.416 5.602 8.051 1.00 0.00 C ATOM 1756 CD1 LEU A 113 4.385 6.796 9.017 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.866 5.199 7.784 1.00 0.00 C ATOM 0 H LEU A 113 2.069 2.724 9.544 1.00 0.00 H new ATOM 0 HA LEU A 113 2.163 5.561 9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.165 4.103 9.592 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.716 3.555 7.989 1.00 0.00 H new ATOM 0 HG LEU A 113 3.931 5.890 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.914 7.638 8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.351 7.079 9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.868 6.519 9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.403 6.040 7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.343 4.913 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.888 4.356 7.094 1.00 0.00 H new ATOM 1769 N MET A 114 1.463 4.452 6.658 1.00 0.00 N ATOM 1770 CA MET A 114 0.834 4.920 5.394 1.00 0.00 C ATOM 1771 C MET A 114 -0.680 5.102 5.589 1.00 0.00 C ATOM 1772 O MET A 114 -1.276 6.008 5.046 1.00 0.00 O ATOM 1773 CB MET A 114 1.147 3.936 4.245 1.00 0.00 C ATOM 1774 CG MET A 114 0.594 2.518 4.523 1.00 0.00 C ATOM 1775 SD MET A 114 -0.156 1.862 2.997 1.00 0.00 S ATOM 1776 CE MET A 114 0.917 0.421 2.753 1.00 0.00 C ATOM 0 H MET A 114 1.801 3.490 6.651 1.00 0.00 H new ATOM 0 HA MET A 114 1.252 5.889 5.123 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.719 4.316 3.317 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.226 3.881 4.099 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.396 1.861 4.861 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.147 2.553 5.322 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.679 -0.053 1.801 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.959 0.740 2.749 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.759 -0.292 3.563 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.304 4.258 6.363 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.771 4.394 6.586 1.00 0.00 C ATOM 1788 C GLU A 115 -3.071 5.740 7.260 1.00 0.00 C ATOM 1789 O GLU A 115 -4.040 6.401 6.962 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.257 3.256 7.485 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.765 3.389 7.706 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.283 2.155 8.447 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.481 1.283 8.741 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.474 2.101 8.706 1.00 0.01 O ATOM 0 H GLU A 115 -0.861 3.479 6.851 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.286 4.348 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.029 2.294 7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.735 3.285 8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.981 4.289 8.282 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.276 3.493 6.749 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.255 6.137 8.185 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.497 7.429 8.884 1.00 0.00 C ATOM 1803 C LYS A 116 -2.243 8.619 7.951 1.00 0.01 C ATOM 1804 O LYS A 116 -2.922 9.623 8.026 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.571 7.525 10.095 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.016 6.519 11.161 1.00 0.00 C ATOM 1807 CD LYS A 116 -0.881 6.299 12.164 1.00 0.00 C ATOM 1808 CE LYS A 116 -0.575 7.609 12.893 1.00 0.00 C ATOM 1809 NZ LYS A 116 0.284 7.326 14.077 1.00 0.00 N ATOM 0 H LYS A 116 -1.428 5.625 8.491 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.539 7.461 9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.542 7.323 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.592 8.536 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.903 6.888 11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.289 5.574 10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.162 5.529 12.882 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.010 5.943 11.647 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.070 8.303 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.502 8.088 13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.493 8.215 14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.214 6.678 14.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.173 6.887 13.764 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.240 8.535 7.104 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.906 9.689 6.199 1.00 0.00 C ATOM 1825 C ASP A 117 -1.198 9.379 4.720 1.00 0.00 C ATOM 1826 O ASP A 117 -1.801 10.177 4.029 1.00 0.00 O ATOM 1827 CB ASP A 117 0.583 10.007 6.355 1.00 0.00 C ATOM 1828 CG ASP A 117 0.898 11.343 5.681 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.787 11.413 4.469 1.00 0.00 O ATOM 1830 OD2 ASP A 117 1.249 12.272 6.389 1.00 0.00 O ATOM 0 H ASP A 117 -0.638 7.718 7.000 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.530 10.535 6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.847 10.051 7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.183 9.213 5.909 1.00 0.00 H new ATOM 1835 N SER A 118 -0.751 8.265 4.208 1.00 0.00 N ATOM 1836 CA SER A 118 -0.992 7.982 2.758 1.00 0.00 C ATOM 1837 C SER A 118 -2.491 7.916 2.452 1.00 0.00 C ATOM 1838 O SER A 118 -2.946 8.465 1.472 1.00 0.01 O ATOM 1839 CB SER A 118 -0.333 6.658 2.371 1.00 0.00 C ATOM 1840 OG SER A 118 -1.169 5.576 2.757 1.00 0.00 O ATOM 0 H SER A 118 -0.237 7.547 4.718 1.00 0.00 H new ATOM 0 HA SER A 118 -0.556 8.794 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.157 6.629 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.639 6.570 2.855 1.00 0.00 H new ATOM 0 HG SER A 118 -1.602 5.786 3.611 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.258 7.252 3.270 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.727 7.152 3.004 1.00 0.00 C ATOM 1848 C TYR A 119 -5.345 8.553 2.977 1.00 0.01 C ATOM 1849 O TYR A 119 -6.068 8.904 2.066 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.379 6.299 4.116 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.941 5.011 3.555 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.152 4.212 2.721 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.247 4.622 3.870 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.672 3.024 2.201 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.763 3.433 3.351 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.971 2.636 2.516 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.474 1.465 1.998 1.00 0.00 O ATOM 0 H TYR A 119 -2.936 6.774 4.111 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.899 6.679 2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.641 6.073 4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.175 6.868 4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.143 4.513 2.480 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.855 5.240 4.514 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -5.066 2.407 1.555 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.771 3.129 3.593 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.409 1.598 1.735 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.074 9.350 3.967 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.657 10.716 3.985 1.00 0.01 C ATOM 1869 C ARG A 120 -5.183 11.454 2.738 1.00 0.00 C ATOM 1870 O ARG A 120 -5.932 12.156 2.088 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.176 11.452 5.236 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.799 10.799 6.471 1.00 0.01 C ATOM 1873 CD ARG A 120 -5.332 11.525 7.741 1.00 0.00 C ATOM 1874 NE ARG A 120 -5.436 10.603 8.919 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.536 9.944 9.174 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -7.640 10.227 8.540 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -6.549 9.039 10.114 1.00 0.01 N ATOM 0 H ARG A 120 -4.477 9.117 4.761 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.746 10.667 3.998 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.088 11.415 5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.457 12.504 5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.886 10.834 6.401 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.516 9.747 6.518 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -4.302 11.862 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -5.941 12.414 7.908 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.631 10.487 9.535 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -7.650 10.968 7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -8.494 9.708 8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.702 8.847 10.649 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -7.406 8.524 10.314 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.942 11.276 2.390 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.410 11.939 1.174 1.00 0.01 C ATOM 1893 C ARG A 121 -4.022 11.283 -0.065 1.00 0.01 C ATOM 1894 O ARG A 121 -4.340 11.945 -1.025 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.892 11.789 1.128 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.239 12.545 2.297 1.00 0.00 C ATOM 1897 CD ARG A 121 -1.185 14.052 2.008 1.00 0.00 C ATOM 1898 NE ARG A 121 -0.326 14.715 3.031 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.095 15.938 2.842 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -0.274 16.600 1.780 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.878 16.502 3.720 1.00 0.01 N ATOM 0 H ARG A 121 -3.272 10.698 2.898 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.667 12.998 1.196 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.624 10.734 1.175 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.512 12.173 0.181 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.803 12.365 3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.231 12.166 2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.785 14.229 1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.189 14.475 2.029 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.066 14.213 3.880 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.892 16.163 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.055 17.554 1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.162 15.989 4.554 1.00 0.01 H new ATOM 0 HH22 ARG A 121 1.206 17.456 3.572 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.175 9.982 -0.059 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.754 9.300 -1.254 1.00 0.01 C ATOM 1917 C PHE A 122 -6.152 9.855 -1.520 1.00 0.01 C ATOM 1918 O PHE A 122 -6.487 10.196 -2.629 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.830 7.772 -1.002 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.024 7.030 -2.039 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.671 6.774 -1.812 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -4.630 6.611 -3.228 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -1.922 6.097 -2.774 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -3.880 5.931 -4.193 1.00 0.00 C ATOM 1925 CZ PHE A 122 -2.523 5.674 -3.965 1.00 0.00 C ATOM 0 H PHE A 122 -3.926 9.368 0.716 1.00 0.01 H new ATOM 0 HA PHE A 122 -4.120 9.482 -2.122 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.453 7.542 -0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.868 7.442 -1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.205 7.099 -0.894 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -5.677 6.813 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.875 5.899 -2.599 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -4.346 5.605 -5.111 1.00 0.00 H new ATOM 0 HZ PHE A 122 -1.940 5.150 -4.708 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.968 9.950 -0.516 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.334 10.486 -0.743 1.00 0.00 C ATOM 1937 C LEU A 123 -8.208 11.908 -1.293 1.00 0.01 C ATOM 1938 O LEU A 123 -8.986 12.334 -2.122 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.115 10.496 0.577 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.257 9.059 1.105 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.820 9.097 2.527 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.201 8.243 0.198 1.00 0.01 C ATOM 0 H LEU A 123 -6.753 9.683 0.445 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.871 9.860 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.599 11.114 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.100 10.937 0.425 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.276 8.583 1.107 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.922 8.080 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.143 9.657 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.797 9.581 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.291 7.228 0.586 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.184 8.713 0.180 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.796 8.211 -0.813 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.226 12.644 -0.834 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.031 14.045 -1.321 1.00 0.01 C ATOM 1956 C LYS A 124 -5.921 14.092 -2.383 1.00 0.01 C ATOM 1957 O LYS A 124 -5.488 15.155 -2.783 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.626 14.924 -0.136 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.738 14.911 0.912 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.331 15.791 2.093 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.447 15.784 3.138 1.00 0.01 C ATOM 1962 NZ LYS A 124 -7.985 16.501 4.359 1.00 0.01 N ATOM 0 H LYS A 124 -6.547 12.333 -0.139 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.960 14.404 -1.764 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.696 14.559 0.300 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.441 15.944 -0.473 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.668 15.275 0.476 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.922 13.891 1.250 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.404 15.423 2.532 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -7.141 16.809 1.754 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -9.339 16.264 2.737 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.721 14.759 3.387 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.743 16.497 5.071 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -7.145 16.024 4.745 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -7.744 17.483 4.115 1.00 0.01 H new ATOM 1976 N SER A 125 -5.449 12.963 -2.843 1.00 0.00 N ATOM 1977 CA SER A 125 -4.365 12.981 -3.873 1.00 0.01 C ATOM 1978 C SER A 125 -4.970 13.280 -5.243 1.00 0.01 C ATOM 1979 O SER A 125 -6.147 13.088 -5.466 1.00 0.01 O ATOM 1980 CB SER A 125 -3.656 11.625 -3.919 1.00 0.01 C ATOM 1981 OG SER A 125 -4.608 10.600 -4.170 1.00 0.01 O ATOM 0 H SER A 125 -5.763 12.036 -2.554 1.00 0.00 H new ATOM 0 HA SER A 125 -3.642 13.753 -3.611 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.894 11.627 -4.699 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.145 11.438 -2.975 1.00 0.01 H new ATOM 0 HG SER A 125 -5.432 10.790 -3.674 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.176 13.752 -6.161 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.713 14.063 -7.514 1.00 0.01 C ATOM 1989 C ARG A 126 -5.074 12.768 -8.251 1.00 0.00 C ATOM 1990 O ARG A 126 -6.068 12.705 -8.945 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.677 14.864 -8.308 1.00 0.01 C ATOM 1992 CG ARG A 126 -2.350 14.098 -8.378 1.00 0.01 C ATOM 1993 CD ARG A 126 -1.269 15.020 -8.955 1.00 0.01 C ATOM 1994 NE ARG A 126 0.087 14.374 -8.856 1.00 0.00 N ATOM 1995 CZ ARG A 126 0.618 14.046 -7.707 1.00 0.01 C ATOM 1996 NH1 ARG A 126 0.021 14.354 -6.587 1.00 0.01 N ATOM 1997 NH2 ARG A 126 1.775 13.443 -7.675 1.00 0.01 N ATOM 0 H ARG A 126 -3.181 13.936 -6.034 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.618 14.662 -7.412 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -4.048 15.054 -9.315 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.520 15.835 -7.838 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -2.061 13.755 -7.385 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.460 13.211 -9.002 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -1.495 15.246 -9.997 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -1.266 15.968 -8.416 1.00 0.01 H new ATOM 0 HE ARG A 126 0.608 14.186 -9.712 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.867 14.855 -6.604 1.00 0.01 H new ATOM 0 HH12 ARG A 126 0.443 14.094 -5.696 1.00 0.01 H new ATOM 0 HH21 ARG A 126 2.263 13.229 -8.545 1.00 0.01 H new ATOM 0 HH22 ARG A 126 2.192 13.186 -6.780 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.289 11.732 -8.107 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.626 10.458 -8.809 1.00 0.01 C ATOM 2013 C PHE A 127 -5.996 9.969 -8.341 1.00 0.01 C ATOM 2014 O PHE A 127 -6.856 9.643 -9.133 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.590 9.384 -8.474 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.273 9.707 -9.137 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.022 9.250 -10.434 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.306 10.453 -8.456 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -0.802 9.538 -11.055 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.083 10.742 -9.076 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.168 10.284 -10.376 1.00 0.00 C ATOM 0 H PHE A 127 -3.440 11.712 -7.542 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.633 10.640 -9.884 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.456 9.321 -7.394 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.945 8.409 -8.808 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -2.771 8.674 -10.957 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.501 10.806 -7.454 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.609 9.185 -12.057 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.666 11.318 -8.552 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.110 10.507 -10.854 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.196 9.913 -7.057 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.501 9.443 -6.516 1.00 0.01 C ATOM 2033 C TYR A 128 -8.619 10.356 -7.015 1.00 0.01 C ATOM 2034 O TYR A 128 -9.646 9.904 -7.478 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.443 9.501 -4.995 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.666 8.843 -4.403 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.691 7.457 -4.215 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.766 9.622 -4.025 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -9.819 6.849 -3.651 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.895 9.012 -3.463 1.00 0.01 C ATOM 2041 CZ TYR A 128 -10.920 7.625 -3.275 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.027 7.024 -2.717 1.00 0.01 O ATOM 0 H TYR A 128 -5.507 10.174 -6.352 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.697 8.423 -6.847 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.543 9.000 -4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.383 10.538 -4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -7.841 6.857 -4.505 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.744 10.692 -4.167 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -9.839 5.779 -3.506 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.746 9.612 -3.175 1.00 0.01 H new ATOM 0 HH TYR A 128 -12.701 7.705 -2.512 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.428 11.642 -6.920 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.481 12.584 -7.382 1.00 0.01 C ATOM 2054 C LEU A 129 -9.742 12.352 -8.870 1.00 0.01 C ATOM 2055 O LEU A 129 -10.871 12.360 -9.319 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.002 14.020 -7.164 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.915 14.322 -5.660 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.099 15.601 -5.455 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.322 14.515 -5.062 1.00 0.01 C ATOM 0 H LEU A 129 -7.588 12.080 -6.542 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.400 12.418 -6.820 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.026 14.161 -7.629 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.688 14.718 -7.644 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.435 13.482 -5.158 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.032 15.823 -4.390 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.097 15.462 -5.860 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.586 16.430 -5.969 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.238 14.728 -3.996 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.818 15.348 -5.561 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.906 13.606 -5.206 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.711 12.123 -9.637 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.919 11.866 -11.087 1.00 0.91 C ATOM 2073 C ASP A 130 -9.801 10.630 -11.221 1.00 1.05 C ATOM 2074 O ASP A 130 -10.751 10.605 -11.979 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.566 11.608 -11.757 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.756 12.905 -11.802 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -7.351 13.943 -12.043 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -5.554 12.840 -11.605 1.00 3.36 O ATOM 0 H ASP A 130 -7.741 12.103 -9.323 1.00 0.56 H new ATOM 0 HA ASP A 130 -9.392 12.724 -11.565 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.017 10.844 -11.207 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.716 11.227 -12.767 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.499 9.615 -10.461 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.319 8.374 -10.494 1.00 1.68 C ATOM 2085 C LEU A 131 -11.680 8.673 -9.864 1.00 2.00 C ATOM 2086 O LEU A 131 -12.705 8.195 -10.308 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.611 7.271 -9.695 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.270 6.917 -10.358 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.506 5.927 -9.470 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.512 6.292 -11.746 1.00 3.54 C ATOM 0 H LEU A 131 -8.712 9.593 -9.813 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.451 8.039 -11.523 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.443 7.604 -8.671 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -10.245 6.386 -9.642 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.681 7.826 -10.480 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.555 5.676 -9.940 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -7.321 6.380 -8.496 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -8.098 5.021 -9.342 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.555 6.045 -12.206 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -9.107 5.385 -11.638 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -9.045 7.003 -12.377 1.00 3.54 H new ATOM 2102 N THR A 132 -11.684 9.465 -8.818 1.00 2.68 N ATOM 2103 CA THR A 132 -12.957 9.819 -8.118 1.00 3.30 C ATOM 2104 C THR A 132 -13.285 11.285 -8.369 1.00 3.72 C ATOM 2105 O THR A 132 -13.048 12.135 -7.536 1.00 3.94 O ATOM 2106 CB THR A 132 -12.792 9.597 -6.612 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.928 10.596 -6.085 1.00 4.04 O ATOM 2108 CG2 THR A 132 -12.191 8.213 -6.353 1.00 4.63 C ATOM 0 H THR A 132 -10.847 9.886 -8.415 1.00 2.68 H new ATOM 0 HA THR A 132 -13.762 9.190 -8.498 1.00 3.30 H new ATOM 0 HB THR A 132 -13.766 9.659 -6.127 1.00 3.80 H new ATOM 0 HG1 THR A 132 -12.338 11.478 -6.203 1.00 4.04 H new ATOM 0 HG21 THR A 132 -12.076 8.061 -5.280 1.00 4.63 H new ATOM 0 HG22 THR A 132 -12.852 7.447 -6.759 1.00 4.63 H new ATOM 0 HG23 THR A 132 -11.216 8.144 -6.836 1.00 4.63 H new ATOM 2116 N ASN A 133 -13.832 11.587 -9.504 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.182 13.002 -9.804 1.00 4.82 C ATOM 2118 C ASN A 133 -15.533 13.325 -9.129 1.00 5.34 C ATOM 2119 O ASN A 133 -16.531 12.716 -9.460 1.00 5.43 O ATOM 2120 CB ASN A 133 -14.341 13.161 -11.317 1.00 5.42 C ATOM 2121 CG ASN A 133 -13.105 12.606 -12.025 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -13.213 11.992 -13.068 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -11.926 12.798 -11.503 1.00 6.48 N ATOM 0 H ASN A 133 -14.054 10.918 -10.241 1.00 4.23 H new ATOM 0 HA ASN A 133 -13.403 13.670 -9.437 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -15.233 12.635 -11.656 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -14.476 14.213 -11.570 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -11.096 12.433 -11.970 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -11.834 13.313 -10.628 1.00 6.48 H new TER 2130 ASN A 133