USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 772 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 107 SER OG : rot 180:sc= 0.00858 USER MOD Set 1.2: A 108 THR OG1 : rot 180:sc= 0.00667 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.14 K(o=0.67,f=-1.9!) USER MOD Set 2.2: A 21 SER OG : rot -170:sc= 0.534 USER MOD Single : A 15 GLN : amide:sc= -1.4! C(o=-1.4!,f=-2.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.785) USER MOD Single : A 29 SER OG : rot 122:sc= 0.183 USER MOD Single : A 34 MET CE :methyl -111:sc= -6.25! (180deg=-8.97!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -7:sc= 0.0897 USER MOD Single : A 60 SER OG : rot -4:sc= 0.0765 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -87:sc= -1.06! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.17 K(o=-0.17,f=-5.5!) USER MOD Single : A 70 THR OG1 : rot -100:sc= 0.968 USER MOD Single : A 78 THR OG1 : rot 155:sc= 0.326 USER MOD Single : A 79 GLN : amide:sc=-0.00816 X(o=-0.0082,f=-0.28) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.202 K(o=0.2,f=-5.1!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 45:sc= 0.351 USER MOD Single : A 106 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0315) USER MOD Single : A 110 THR OG1 : rot 69:sc= 0.21 USER MOD Single : A 112 SER OG : rot 79:sc= -0.618! USER MOD Single : A 115 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0779) USER MOD Single : A 116 TYR OH : rot 44:sc= 0.634 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -3.142 -4.430 -8.932 1.00 0.00 N ATOM 2 CA VAL A 14 -4.260 -3.533 -9.258 1.00 0.00 C ATOM 3 C VAL A 14 -3.849 -2.362 -10.162 1.00 0.00 C ATOM 4 O VAL A 14 -2.700 -1.926 -10.176 1.00 0.00 O ATOM 5 CB VAL A 14 -4.913 -3.064 -7.936 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.208 -1.877 -7.282 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.409 -2.814 -8.091 1.00 0.00 C ATOM 0 HA VAL A 14 -4.993 -4.084 -9.847 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.785 -3.898 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.726 -1.609 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.177 -2.147 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.217 -1.027 -7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.824 -2.487 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.573 -2.042 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.901 -3.735 -8.404 1.00 0.00 H new ATOM 17 N GLN A 15 -4.866 -1.883 -10.878 1.00 0.00 N ATOM 18 CA GLN A 15 -4.803 -0.647 -11.682 1.00 0.00 C ATOM 19 C GLN A 15 -4.998 0.587 -10.793 1.00 0.00 C ATOM 20 O GLN A 15 -4.326 1.612 -10.913 1.00 0.00 O ATOM 21 CB GLN A 15 -5.873 -0.689 -12.777 1.00 0.00 C ATOM 22 CG GLN A 15 -5.704 -1.815 -13.819 1.00 0.00 C ATOM 23 CD GLN A 15 -5.785 -3.224 -13.203 1.00 0.00 C ATOM 24 OE1 GLN A 15 -6.699 -3.583 -12.477 1.00 0.00 O ATOM 25 NE2 GLN A 15 -4.708 -3.954 -13.319 1.00 0.00 N ATOM 0 H GLN A 15 -5.774 -2.345 -10.921 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.819 -0.579 -12.146 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.849 -0.797 -12.305 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.875 0.269 -13.298 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.475 -1.714 -14.583 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.743 -1.698 -14.319 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.948 -3.649 -13.927 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.627 -4.829 -12.802 1.00 0.00 H new ATOM 34 N ASP A 16 -5.983 0.421 -9.907 1.00 0.00 N ATOM 35 CA ASP A 16 -6.439 1.379 -8.872 1.00 0.00 C ATOM 36 C ASP A 16 -7.479 0.706 -7.974 1.00 0.00 C ATOM 37 O ASP A 16 -8.463 0.148 -8.464 1.00 0.00 O ATOM 38 CB ASP A 16 -7.011 2.651 -9.521 1.00 0.00 C ATOM 39 CG ASP A 16 -8.160 2.435 -10.506 1.00 0.00 C ATOM 40 OD1 ASP A 16 -9.306 2.718 -10.111 1.00 0.00 O ATOM 41 OD2 ASP A 16 -7.876 1.990 -11.641 1.00 0.00 O ATOM 0 H ASP A 16 -6.526 -0.442 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.587 1.676 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.356 3.317 -8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.203 3.166 -10.041 1.00 0.00 H new ATOM 47 N VAL A 17 -7.115 0.584 -6.701 1.00 0.00 N ATOM 48 CA VAL A 17 -8.038 -0.031 -5.719 1.00 0.00 C ATOM 49 C VAL A 17 -9.042 1.003 -5.216 1.00 0.00 C ATOM 50 O VAL A 17 -8.727 2.176 -5.012 1.00 0.00 O ATOM 51 CB VAL A 17 -7.411 -0.701 -4.487 1.00 0.00 C ATOM 52 CG1 VAL A 17 -8.092 -2.051 -4.267 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.902 -0.916 -4.461 1.00 0.00 C ATOM 0 H VAL A 17 -6.219 0.888 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.496 -0.836 -6.294 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.579 0.027 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.658 -2.540 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.159 -1.898 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.946 -2.680 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.619 -1.399 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.610 -1.549 -5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.396 0.046 -4.540 1.00 0.00 H new ATOM 63 N ASN A 18 -10.289 0.551 -5.236 1.00 0.00 N ATOM 64 CA ASN A 18 -11.463 1.255 -4.714 1.00 0.00 C ATOM 65 C ASN A 18 -12.336 0.246 -3.949 1.00 0.00 C ATOM 66 O ASN A 18 -11.999 -0.932 -3.890 1.00 0.00 O ATOM 67 CB ASN A 18 -12.200 1.938 -5.885 1.00 0.00 C ATOM 68 CG ASN A 18 -12.523 0.989 -7.040 1.00 0.00 C ATOM 69 OD1 ASN A 18 -13.284 0.040 -6.905 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.882 1.196 -8.166 1.00 0.00 N ATOM 0 H ASN A 18 -10.525 -0.358 -5.634 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.186 2.042 -4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.127 2.375 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.588 2.758 -6.260 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.013 0.559 -8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.253 1.994 -8.255 1.00 0.00 H new ATOM 77 N ASP A 19 -13.495 0.685 -3.470 1.00 0.00 N ATOM 78 CA ASP A 19 -14.408 -0.192 -2.689 1.00 0.00 C ATOM 79 C ASP A 19 -14.801 -1.517 -3.356 1.00 0.00 C ATOM 80 O ASP A 19 -14.672 -2.570 -2.725 1.00 0.00 O ATOM 81 CB ASP A 19 -15.657 0.590 -2.230 1.00 0.00 C ATOM 82 CG ASP A 19 -15.389 1.418 -0.962 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.844 0.997 0.119 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.684 2.445 -1.078 1.00 0.00 O ATOM 0 H ASP A 19 -13.838 1.637 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.818 -0.496 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.984 1.252 -3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.472 -0.109 -2.040 1.00 0.00 H new ATOM 90 N SER A 20 -15.063 -1.488 -4.664 1.00 0.00 N ATOM 91 CA SER A 20 -15.420 -2.698 -5.451 1.00 0.00 C ATOM 92 C SER A 20 -14.218 -3.630 -5.589 1.00 0.00 C ATOM 93 O SER A 20 -14.283 -4.805 -5.222 1.00 0.00 O ATOM 94 CB SER A 20 -15.848 -2.328 -6.865 1.00 0.00 C ATOM 95 OG SER A 20 -16.581 -1.110 -6.862 1.00 0.00 O ATOM 0 H SER A 20 -15.037 -0.632 -5.219 1.00 0.00 H new ATOM 0 HA SER A 20 -16.235 -3.186 -4.916 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.970 -2.229 -7.503 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.459 -3.126 -7.286 1.00 0.00 H new ATOM 0 HG SER A 20 -16.847 -0.886 -7.778 1.00 0.00 H new ATOM 101 N SER A 21 -13.106 -3.079 -6.074 1.00 0.00 N ATOM 102 CA SER A 21 -11.863 -3.851 -6.265 1.00 0.00 C ATOM 103 C SER A 21 -11.172 -4.308 -4.987 1.00 0.00 C ATOM 104 O SER A 21 -10.461 -5.305 -5.015 1.00 0.00 O ATOM 105 CB SER A 21 -10.847 -3.201 -7.203 1.00 0.00 C ATOM 106 OG SER A 21 -10.694 -1.801 -6.934 1.00 0.00 O ATOM 0 H SER A 21 -13.033 -2.098 -6.345 1.00 0.00 H new ATOM 0 HA SER A 21 -12.245 -4.747 -6.755 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.883 -3.699 -7.096 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.165 -3.340 -8.236 1.00 0.00 H new ATOM 0 HG SER A 21 -10.163 -1.387 -7.646 1.00 0.00 H new ATOM 112 N TRP A 22 -11.489 -3.676 -3.860 1.00 0.00 N ATOM 113 CA TRP A 22 -10.941 -4.045 -2.539 1.00 0.00 C ATOM 114 C TRP A 22 -11.159 -5.529 -2.215 1.00 0.00 C ATOM 115 O TRP A 22 -10.213 -6.310 -2.205 1.00 0.00 O ATOM 116 CB TRP A 22 -11.577 -3.113 -1.525 1.00 0.00 C ATOM 117 CG TRP A 22 -10.913 -3.255 -0.165 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.414 -3.937 0.860 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.719 -2.691 0.240 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.616 -3.810 1.920 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.554 -3.069 1.583 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.733 -1.934 -0.421 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.397 -2.679 2.290 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.579 -1.563 0.271 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.407 -1.927 1.622 1.00 0.00 C ATOM 0 H TRP A 22 -12.136 -2.888 -3.827 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.858 -3.925 -2.522 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.492 -2.082 -1.869 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.641 -3.334 -1.439 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.330 -4.508 0.837 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.787 -4.213 2.841 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.868 -1.643 -1.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.271 -2.952 3.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.812 -0.993 -0.232 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.513 -1.629 2.149 1.00 0.00 H new ATOM 136 N LYS A 23 -12.407 -5.955 -2.324 1.00 0.00 N ATOM 137 CA LYS A 23 -12.755 -7.371 -2.032 1.00 0.00 C ATOM 138 C LYS A 23 -12.198 -8.380 -3.022 1.00 0.00 C ATOM 139 O LYS A 23 -11.559 -9.345 -2.604 1.00 0.00 O ATOM 140 CB LYS A 23 -14.249 -7.555 -1.945 1.00 0.00 C ATOM 141 CG LYS A 23 -14.689 -6.796 -0.710 1.00 0.00 C ATOM 142 CD LYS A 23 -16.205 -6.619 -0.767 1.00 0.00 C ATOM 143 CE LYS A 23 -16.579 -5.294 -0.111 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.085 -5.416 1.256 1.00 0.00 N ATOM 0 H LYS A 23 -13.194 -5.370 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.281 -7.573 -1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.743 -7.170 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.509 -8.611 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.404 -7.340 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.195 -5.825 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.547 -6.636 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.699 -7.445 -0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.119 -4.451 -0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.656 -5.130 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.610 -4.765 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.219 -6.393 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.073 -5.177 1.282 1.00 0.00 H new ATOM 158 N GLU A 24 -12.085 -7.907 -4.253 1.00 0.00 N ATOM 159 CA GLU A 24 -11.717 -8.704 -5.434 1.00 0.00 C ATOM 160 C GLU A 24 -10.207 -8.886 -5.572 1.00 0.00 C ATOM 161 O GLU A 24 -9.729 -10.008 -5.691 1.00 0.00 O ATOM 162 CB GLU A 24 -12.293 -8.054 -6.690 1.00 0.00 C ATOM 163 CG GLU A 24 -13.770 -7.722 -6.464 1.00 0.00 C ATOM 164 CD GLU A 24 -14.452 -7.120 -7.708 1.00 0.00 C ATOM 165 OE1 GLU A 24 -15.271 -7.852 -8.300 1.00 0.00 O ATOM 166 OE2 GLU A 24 -14.172 -5.941 -8.003 1.00 0.00 O ATOM 0 H GLU A 24 -12.251 -6.925 -4.475 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.141 -9.700 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.738 -7.147 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.187 -8.726 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.299 -8.629 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.856 -7.020 -5.635 1.00 0.00 H new ATOM 174 N PHE A 25 -9.467 -7.794 -5.422 1.00 0.00 N ATOM 175 CA PHE A 25 -8.000 -7.777 -5.554 1.00 0.00 C ATOM 176 C PHE A 25 -7.217 -7.984 -4.253 1.00 0.00 C ATOM 177 O PHE A 25 -6.471 -8.955 -4.113 1.00 0.00 O ATOM 178 CB PHE A 25 -7.541 -6.483 -6.229 1.00 0.00 C ATOM 179 CG PHE A 25 -7.576 -6.579 -7.750 1.00 0.00 C ATOM 180 CD1 PHE A 25 -8.741 -6.222 -8.466 1.00 0.00 C ATOM 181 CD2 PHE A 25 -6.369 -6.887 -8.424 1.00 0.00 C ATOM 182 CE1 PHE A 25 -8.694 -6.152 -9.881 1.00 0.00 C ATOM 183 CE2 PHE A 25 -6.314 -6.817 -9.833 1.00 0.00 C ATOM 184 CZ PHE A 25 -7.481 -6.446 -10.546 1.00 0.00 C ATOM 0 H PHE A 25 -9.865 -6.881 -5.203 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.770 -8.645 -6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.179 -5.661 -5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.527 -6.247 -5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.659 -6.004 -7.940 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.493 -7.175 -7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.574 -5.878 -10.444 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.398 -7.042 -10.359 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.443 -6.386 -11.624 1.00 0.00 H new ATOM 194 N VAL A 26 -7.662 -7.250 -3.253 1.00 0.00 N ATOM 195 CA VAL A 26 -7.012 -7.169 -1.929 1.00 0.00 C ATOM 196 C VAL A 26 -7.413 -8.371 -1.079 1.00 0.00 C ATOM 197 O VAL A 26 -6.554 -9.133 -0.637 1.00 0.00 O ATOM 198 CB VAL A 26 -7.317 -5.825 -1.231 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.873 -5.738 0.227 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.679 -4.685 -2.029 1.00 0.00 C ATOM 0 H VAL A 26 -8.502 -6.676 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.931 -7.202 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.404 -5.743 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.131 -4.758 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.376 -6.511 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.794 -5.883 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.892 -3.735 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.600 -4.834 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.090 -4.673 -3.039 1.00 0.00 H new ATOM 210 N LEU A 27 -8.717 -8.596 -0.956 1.00 0.00 N ATOM 211 CA LEU A 27 -9.172 -9.708 -0.109 1.00 0.00 C ATOM 212 C LEU A 27 -9.195 -11.061 -0.834 1.00 0.00 C ATOM 213 O LEU A 27 -9.325 -12.114 -0.209 1.00 0.00 O ATOM 214 CB LEU A 27 -10.506 -9.357 0.580 1.00 0.00 C ATOM 215 CG LEU A 27 -10.387 -8.040 1.376 1.00 0.00 C ATOM 216 CD1 LEU A 27 -11.757 -7.583 1.852 1.00 0.00 C ATOM 217 CD2 LEU A 27 -9.422 -8.132 2.549 1.00 0.00 C ATOM 0 H LEU A 27 -9.454 -8.054 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.428 -9.842 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.293 -9.264 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.797 -10.166 1.250 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.972 -7.301 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.656 -6.653 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.406 -7.420 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.193 -8.348 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.385 -7.173 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.762 -8.904 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.427 -8.385 2.183 1.00 0.00 H new ATOM 229 N GLU A 28 -8.983 -11.017 -2.156 1.00 0.00 N ATOM 230 CA GLU A 28 -9.008 -12.241 -2.979 1.00 0.00 C ATOM 231 C GLU A 28 -7.810 -12.413 -3.926 1.00 0.00 C ATOM 232 O GLU A 28 -7.944 -12.583 -5.133 1.00 0.00 O ATOM 233 CB GLU A 28 -10.344 -12.267 -3.734 1.00 0.00 C ATOM 234 CG GLU A 28 -11.556 -12.396 -2.806 1.00 0.00 C ATOM 235 CD GLU A 28 -12.881 -12.086 -3.500 1.00 0.00 C ATOM 236 OE1 GLU A 28 -13.044 -12.467 -4.678 1.00 0.00 O ATOM 237 OE2 GLU A 28 -13.765 -11.537 -2.811 1.00 0.00 O ATOM 0 H GLU A 28 -8.794 -10.160 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.918 -13.095 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.440 -11.354 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.341 -13.100 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.592 -13.409 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.430 -11.722 -1.959 1.00 0.00 H new ATOM 245 N SER A 29 -6.619 -12.457 -3.319 1.00 0.00 N ATOM 246 CA SER A 29 -5.350 -12.700 -4.030 1.00 0.00 C ATOM 247 C SER A 29 -4.731 -14.058 -3.720 1.00 0.00 C ATOM 248 O SER A 29 -3.760 -14.464 -4.367 1.00 0.00 O ATOM 249 CB SER A 29 -4.389 -11.623 -3.541 1.00 0.00 C ATOM 250 OG SER A 29 -4.348 -11.760 -2.120 1.00 0.00 O ATOM 0 H SER A 29 -6.503 -12.325 -2.314 1.00 0.00 H new ATOM 0 HA SER A 29 -5.538 -12.679 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.398 -11.755 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.734 -10.630 -3.829 1.00 0.00 H new ATOM 0 HG SER A 29 -3.426 -11.930 -1.834 1.00 0.00 H new ATOM 256 N GLU A 30 -5.235 -14.645 -2.629 1.00 0.00 N ATOM 257 CA GLU A 30 -4.808 -15.918 -1.998 1.00 0.00 C ATOM 258 C GLU A 30 -3.486 -15.812 -1.214 1.00 0.00 C ATOM 259 O GLU A 30 -3.201 -16.625 -0.348 1.00 0.00 O ATOM 260 CB GLU A 30 -4.699 -17.017 -3.056 1.00 0.00 C ATOM 261 CG GLU A 30 -5.557 -18.247 -2.756 1.00 0.00 C ATOM 262 CD GLU A 30 -4.929 -19.101 -1.649 1.00 0.00 C ATOM 263 OE1 GLU A 30 -5.493 -19.082 -0.533 1.00 0.00 O ATOM 264 OE2 GLU A 30 -3.946 -19.802 -1.984 1.00 0.00 O ATOM 0 H GLU A 30 -6.009 -14.219 -2.120 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.578 -16.168 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.991 -16.608 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.657 -17.324 -3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.556 -17.933 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.670 -18.845 -3.661 1.00 0.00 H new ATOM 272 N VAL A 31 -2.839 -14.668 -1.398 1.00 0.00 N ATOM 273 CA VAL A 31 -1.452 -14.408 -0.981 1.00 0.00 C ATOM 274 C VAL A 31 -1.392 -13.175 -0.046 1.00 0.00 C ATOM 275 O VAL A 31 -2.245 -12.295 -0.211 1.00 0.00 O ATOM 276 CB VAL A 31 -0.587 -14.181 -2.250 1.00 0.00 C ATOM 277 CG1 VAL A 31 -0.635 -15.410 -3.168 1.00 0.00 C ATOM 278 CG2 VAL A 31 -1.004 -12.938 -3.047 1.00 0.00 C ATOM 0 H VAL A 31 -3.272 -13.866 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.065 -15.263 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 31 0.431 -14.019 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.022 -15.229 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.253 -16.279 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.665 -15.596 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.362 -12.834 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.040 -13.042 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.906 -12.053 -2.418 1.00 0.00 H new ATOM 288 N PRO A 32 -0.377 -13.049 0.827 1.00 0.00 N ATOM 289 CA PRO A 32 -0.147 -11.832 1.627 1.00 0.00 C ATOM 290 C PRO A 32 -0.265 -10.565 0.774 1.00 0.00 C ATOM 291 O PRO A 32 0.140 -10.510 -0.384 1.00 0.00 O ATOM 292 CB PRO A 32 1.251 -12.034 2.216 1.00 0.00 C ATOM 293 CG PRO A 32 1.291 -13.543 2.452 1.00 0.00 C ATOM 294 CD PRO A 32 0.566 -14.115 1.228 1.00 0.00 C ATOM 0 HA PRO A 32 -0.892 -11.689 2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.032 -11.709 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.387 -11.474 3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.314 -13.912 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.790 -13.818 3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.265 -14.349 0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.041 -15.038 1.473 1.00 0.00 H new ATOM 302 N VAL A 33 -1.009 -9.614 1.331 1.00 0.00 N ATOM 303 CA VAL A 33 -1.419 -8.383 0.631 1.00 0.00 C ATOM 304 C VAL A 33 -0.974 -7.118 1.360 1.00 0.00 C ATOM 305 O VAL A 33 -1.194 -6.971 2.562 1.00 0.00 O ATOM 306 CB VAL A 33 -2.962 -8.466 0.488 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.701 -7.138 0.307 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.310 -9.404 -0.663 1.00 0.00 C ATOM 0 H VAL A 33 -1.352 -9.669 2.290 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.937 -8.315 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.311 -8.843 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.771 -7.326 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.515 -6.498 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.344 -6.643 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.393 -9.466 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.878 -9.022 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.908 -10.396 -0.458 1.00 0.00 H new ATOM 318 N MET A 34 -0.583 -6.152 0.528 1.00 0.00 N ATOM 319 CA MET A 34 -0.231 -4.802 0.983 1.00 0.00 C ATOM 320 C MET A 34 -0.776 -3.675 0.098 1.00 0.00 C ATOM 321 O MET A 34 -0.710 -3.707 -1.131 1.00 0.00 O ATOM 322 CB MET A 34 1.263 -4.650 1.226 1.00 0.00 C ATOM 323 CG MET A 34 2.134 -5.079 0.048 1.00 0.00 C ATOM 324 SD MET A 34 3.912 -4.904 0.406 1.00 0.00 S ATOM 325 CE MET A 34 4.125 -6.194 1.627 1.00 0.00 C ATOM 0 H MET A 34 -0.501 -6.281 -0.480 1.00 0.00 H new ATOM 0 HA MET A 34 -0.740 -4.690 1.940 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.477 -3.608 1.462 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.539 -5.238 2.101 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.916 -6.117 -0.203 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.881 -4.479 -0.826 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.323 -5.745 2.600 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.218 -6.795 1.683 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.964 -6.829 1.343 1.00 0.00 H new ATOM 335 N VAL A 35 -1.288 -2.668 0.797 1.00 0.00 N ATOM 336 CA VAL A 35 -2.021 -1.552 0.167 1.00 0.00 C ATOM 337 C VAL A 35 -1.497 -0.149 0.507 1.00 0.00 C ATOM 338 O VAL A 35 -1.596 0.303 1.652 1.00 0.00 O ATOM 339 CB VAL A 35 -3.509 -1.668 0.527 1.00 0.00 C ATOM 340 CG1 VAL A 35 -4.136 -2.842 -0.228 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.794 -1.841 2.027 1.00 0.00 C ATOM 0 H VAL A 35 -1.213 -2.593 1.811 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.861 -1.652 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.952 -0.716 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.192 -2.919 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.037 -2.679 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.626 -3.765 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.870 -1.914 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.311 -2.750 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.404 -0.982 2.573 1.00 0.00 H new ATOM 351 N ASP A 36 -0.990 0.524 -0.508 1.00 0.00 N ATOM 352 CA ASP A 36 -0.522 1.925 -0.395 1.00 0.00 C ATOM 353 C ASP A 36 -1.722 2.868 -0.555 1.00 0.00 C ATOM 354 O ASP A 36 -2.425 2.796 -1.556 1.00 0.00 O ATOM 355 CB ASP A 36 0.502 2.212 -1.501 1.00 0.00 C ATOM 356 CG ASP A 36 1.203 3.563 -1.291 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.612 4.583 -1.707 1.00 0.00 O ATOM 358 OD2 ASP A 36 2.309 3.535 -0.719 1.00 0.00 O ATOM 0 H ASP A 36 -0.883 0.130 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.057 2.081 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.246 1.416 -1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.002 2.208 -2.470 1.00 0.00 H new ATOM 364 N PHE A 37 -1.965 3.683 0.452 1.00 0.00 N ATOM 365 CA PHE A 37 -3.038 4.707 0.379 1.00 0.00 C ATOM 366 C PHE A 37 -2.449 6.035 -0.089 1.00 0.00 C ATOM 367 O PHE A 37 -1.597 6.607 0.587 1.00 0.00 O ATOM 368 CB PHE A 37 -3.751 4.898 1.719 1.00 0.00 C ATOM 369 CG PHE A 37 -4.688 3.737 2.073 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.169 2.441 2.359 1.00 0.00 C ATOM 371 CD2 PHE A 37 -6.083 3.950 2.035 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.057 1.375 2.587 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.969 2.881 2.280 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.444 1.591 2.538 1.00 0.00 C ATOM 0 H PHE A 37 -1.450 3.673 1.332 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.781 4.354 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.006 5.009 2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.325 5.824 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.102 2.279 2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.472 4.934 1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.672 0.389 2.800 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.037 3.044 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.119 0.763 2.699 1.00 0.00 H new ATOM 384 N TRP A 38 -2.812 6.385 -1.310 1.00 0.00 N ATOM 385 CA TRP A 38 -2.334 7.622 -1.945 1.00 0.00 C ATOM 386 C TRP A 38 -3.510 8.589 -2.177 1.00 0.00 C ATOM 387 O TRP A 38 -4.643 8.175 -2.407 1.00 0.00 O ATOM 388 CB TRP A 38 -1.572 7.316 -3.239 1.00 0.00 C ATOM 389 CG TRP A 38 -2.481 7.045 -4.453 1.00 0.00 C ATOM 390 CD1 TRP A 38 -3.158 5.921 -4.665 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.907 7.983 -5.388 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.944 6.064 -5.725 1.00 0.00 N ATOM 393 CE2 TRP A 38 -3.884 7.316 -6.154 1.00 0.00 C ATOM 394 CE3 TRP A 38 -2.655 9.364 -5.588 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -4.645 8.017 -7.102 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -3.390 10.043 -6.560 1.00 0.00 C ATOM 397 CH2 TRP A 38 -4.385 9.388 -7.316 1.00 0.00 C ATOM 0 H TRP A 38 -3.440 5.832 -1.893 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.630 8.114 -1.274 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.916 8.156 -3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.933 6.448 -3.076 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.080 5.026 -4.065 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.507 5.324 -6.144 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.910 9.879 -5.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.420 7.514 -7.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.194 11.090 -6.737 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.947 9.935 -8.058 1.00 0.00 H new ATOM 408 N ALA A 39 -3.160 9.861 -2.333 1.00 0.00 N ATOM 409 CA ALA A 39 -4.161 10.934 -2.440 1.00 0.00 C ATOM 410 C ALA A 39 -3.811 11.876 -3.600 1.00 0.00 C ATOM 411 O ALA A 39 -2.626 12.128 -3.830 1.00 0.00 O ATOM 412 CB ALA A 39 -4.186 11.662 -1.096 1.00 0.00 C ATOM 0 H ALA A 39 -2.193 10.181 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.151 10.534 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.918 12.469 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.458 10.961 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.200 12.077 -0.888 1.00 0.00 H new ATOM 418 N PRO A 40 -4.793 12.316 -4.390 1.00 0.00 N ATOM 419 CA PRO A 40 -4.562 13.230 -5.532 1.00 0.00 C ATOM 420 C PRO A 40 -3.832 14.511 -5.114 1.00 0.00 C ATOM 421 O PRO A 40 -2.869 14.899 -5.748 1.00 0.00 O ATOM 422 CB PRO A 40 -5.946 13.519 -6.080 1.00 0.00 C ATOM 423 CG PRO A 40 -6.699 12.222 -5.762 1.00 0.00 C ATOM 424 CD PRO A 40 -6.174 11.819 -4.389 1.00 0.00 C ATOM 0 HA PRO A 40 -3.911 12.780 -6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.402 14.383 -5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.925 13.725 -7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.777 12.380 -5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.500 11.452 -6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.761 12.267 -3.588 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.212 10.739 -4.246 1.00 0.00 H new ATOM 557 N ALA A 49 4.423 5.179 -4.763 1.00 0.00 N ATOM 558 CA ALA A 49 4.300 4.069 -3.784 1.00 0.00 C ATOM 559 C ALA A 49 5.666 3.619 -3.238 1.00 0.00 C ATOM 560 O ALA A 49 5.922 2.428 -3.148 1.00 0.00 O ATOM 561 CB ALA A 49 3.485 2.986 -4.500 1.00 0.00 C ATOM 0 HA ALA A 49 3.781 4.366 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.353 2.132 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.509 3.387 -4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.013 2.669 -5.399 1.00 0.00 H new ATOM 567 N PRO A 50 6.408 4.528 -2.589 1.00 0.00 N ATOM 568 CA PRO A 50 7.858 4.360 -2.356 1.00 0.00 C ATOM 569 C PRO A 50 8.308 3.020 -1.746 1.00 0.00 C ATOM 570 O PRO A 50 8.659 2.101 -2.484 1.00 0.00 O ATOM 571 CB PRO A 50 8.280 5.587 -1.557 1.00 0.00 C ATOM 572 CG PRO A 50 7.005 6.064 -0.858 1.00 0.00 C ATOM 573 CD PRO A 50 5.865 5.641 -1.779 1.00 0.00 C ATOM 0 HA PRO A 50 8.375 4.299 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.057 5.339 -0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 50 8.686 6.361 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.903 5.612 0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.015 7.144 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.995 5.322 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.544 6.468 -2.412 1.00 0.00 H new ATOM 581 N VAL A 51 8.202 2.885 -0.429 1.00 0.00 N ATOM 582 CA VAL A 51 8.573 1.635 0.274 1.00 0.00 C ATOM 583 C VAL A 51 7.800 0.421 -0.276 1.00 0.00 C ATOM 584 O VAL A 51 8.399 -0.625 -0.503 1.00 0.00 O ATOM 585 CB VAL A 51 8.389 1.797 1.807 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.859 0.536 2.539 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.181 2.983 2.362 1.00 0.00 C ATOM 0 H VAL A 51 7.862 3.623 0.187 1.00 0.00 H new ATOM 0 HA VAL A 51 9.629 1.441 0.085 1.00 0.00 H new ATOM 0 HB VAL A 51 7.325 1.969 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.723 0.667 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.275 -0.320 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.914 0.363 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.021 3.056 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.243 2.837 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.844 3.902 1.882 1.00 0.00 H new ATOM 597 N ILE A 52 6.543 0.629 -0.657 1.00 0.00 N ATOM 598 CA ILE A 52 5.651 -0.413 -1.214 1.00 0.00 C ATOM 599 C ILE A 52 6.167 -0.956 -2.550 1.00 0.00 C ATOM 600 O ILE A 52 6.216 -2.168 -2.767 1.00 0.00 O ATOM 601 CB ILE A 52 4.231 0.208 -1.239 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.582 0.262 0.159 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.258 -0.477 -2.197 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.281 1.173 1.170 1.00 0.00 C ATOM 0 H ILE A 52 6.095 1.543 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 52 5.623 -1.313 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 52 4.407 1.219 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.549 0.593 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.551 -0.749 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.290 0.022 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.647 -0.420 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.142 -1.523 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.747 1.140 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.306 0.833 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.289 2.196 0.793 1.00 0.00 H new ATOM 616 N ASP A 53 6.725 -0.048 -3.349 1.00 0.00 N ATOM 617 CA ASP A 53 7.390 -0.366 -4.624 1.00 0.00 C ATOM 618 C ASP A 53 8.619 -1.258 -4.414 1.00 0.00 C ATOM 619 O ASP A 53 8.837 -2.240 -5.118 1.00 0.00 O ATOM 620 CB ASP A 53 7.785 0.947 -5.310 1.00 0.00 C ATOM 621 CG ASP A 53 7.829 0.799 -6.828 1.00 0.00 C ATOM 622 OD1 ASP A 53 6.737 0.923 -7.435 1.00 0.00 O ATOM 623 OD2 ASP A 53 8.945 0.552 -7.338 1.00 0.00 O ATOM 0 H ASP A 53 6.731 0.948 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 53 6.699 -0.924 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.073 1.727 -5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.761 1.268 -4.947 1.00 0.00 H new ATOM 629 N GLU A 54 9.329 -0.970 -3.335 1.00 0.00 N ATOM 630 CA GLU A 54 10.479 -1.777 -2.904 1.00 0.00 C ATOM 631 C GLU A 54 10.113 -3.135 -2.305 1.00 0.00 C ATOM 632 O GLU A 54 10.742 -4.136 -2.631 1.00 0.00 O ATOM 633 CB GLU A 54 11.372 -1.059 -1.894 1.00 0.00 C ATOM 634 CG GLU A 54 12.335 -0.050 -2.521 1.00 0.00 C ATOM 635 CD GLU A 54 11.622 1.208 -3.023 1.00 0.00 C ATOM 636 OE1 GLU A 54 11.399 2.101 -2.172 1.00 0.00 O ATOM 637 OE2 GLU A 54 11.327 1.260 -4.243 1.00 0.00 O ATOM 0 H GLU A 54 9.132 -0.174 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 54 11.017 -1.938 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.742 -0.543 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.949 -1.801 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.089 0.233 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.860 -0.522 -3.351 1.00 0.00 H new ATOM 645 N LEU A 55 9.049 -3.163 -1.487 1.00 0.00 N ATOM 646 CA LEU A 55 8.530 -4.429 -0.939 1.00 0.00 C ATOM 647 C LEU A 55 8.035 -5.403 -2.014 1.00 0.00 C ATOM 648 O LEU A 55 8.136 -6.616 -1.850 1.00 0.00 O ATOM 649 CB LEU A 55 7.386 -4.168 0.058 1.00 0.00 C ATOM 650 CG LEU A 55 7.753 -3.248 1.234 1.00 0.00 C ATOM 651 CD1 LEU A 55 6.519 -2.910 2.063 1.00 0.00 C ATOM 652 CD2 LEU A 55 8.856 -3.859 2.102 1.00 0.00 C ATOM 0 H LEU A 55 8.535 -2.333 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 55 9.376 -4.895 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.547 -3.728 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.044 -5.124 0.456 1.00 0.00 H new ATOM 0 HG LEU A 55 8.145 -2.319 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.803 -2.258 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.787 -2.402 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.084 -3.828 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.090 -3.182 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.516 -4.813 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.749 -4.018 1.497 1.00 0.00 H new ATOM 664 N ALA A 56 7.740 -4.835 -3.177 1.00 0.00 N ATOM 665 CA ALA A 56 7.317 -5.559 -4.381 1.00 0.00 C ATOM 666 C ALA A 56 8.444 -6.470 -4.901 1.00 0.00 C ATOM 667 O ALA A 56 8.328 -7.693 -4.918 1.00 0.00 O ATOM 668 CB ALA A 56 6.897 -4.550 -5.449 1.00 0.00 C ATOM 0 H ALA A 56 7.789 -3.826 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 56 6.469 -6.198 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.581 -5.081 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.070 -3.947 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.740 -3.902 -5.688 1.00 0.00 H new ATOM 674 N LYS A 57 9.589 -5.854 -5.192 1.00 0.00 N ATOM 675 CA LYS A 57 10.800 -6.576 -5.607 1.00 0.00 C ATOM 676 C LYS A 57 11.485 -7.366 -4.472 1.00 0.00 C ATOM 677 O LYS A 57 12.018 -8.452 -4.710 1.00 0.00 O ATOM 678 CB LYS A 57 11.786 -5.672 -6.350 1.00 0.00 C ATOM 679 CG LYS A 57 12.130 -4.403 -5.575 1.00 0.00 C ATOM 680 CD LYS A 57 13.042 -3.540 -6.429 1.00 0.00 C ATOM 681 CE LYS A 57 13.108 -2.129 -5.859 1.00 0.00 C ATOM 682 NZ LYS A 57 12.397 -1.252 -6.798 1.00 0.00 N ATOM 0 H LYS A 57 9.707 -4.842 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 57 10.450 -7.331 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.702 -6.229 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.362 -5.398 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.221 -3.857 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.621 -4.656 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.041 -3.975 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.673 -3.510 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.648 -2.090 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.143 -1.809 -5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.419 -0.274 -6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.858 -1.294 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.410 -1.566 -6.887 1.00 0.00 H new ATOM 696 N GLU A 58 11.327 -6.877 -3.252 1.00 0.00 N ATOM 697 CA GLU A 58 11.824 -7.568 -2.041 1.00 0.00 C ATOM 698 C GLU A 58 11.089 -8.894 -1.789 1.00 0.00 C ATOM 699 O GLU A 58 11.705 -9.902 -1.450 1.00 0.00 O ATOM 700 CB GLU A 58 11.620 -6.665 -0.812 1.00 0.00 C ATOM 701 CG GLU A 58 12.835 -5.810 -0.473 1.00 0.00 C ATOM 702 CD GLU A 58 12.530 -4.935 0.743 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.022 -3.811 0.522 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.754 -5.395 1.878 1.00 0.00 O ATOM 0 H GLU A 58 10.854 -5.994 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 58 12.881 -7.781 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.765 -6.012 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.373 -7.287 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.694 -6.448 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.100 -5.184 -1.325 1.00 0.00 H new ATOM 712 N TYR A 59 9.768 -8.838 -1.916 1.00 0.00 N ATOM 713 CA TYR A 59 8.889 -10.000 -1.707 1.00 0.00 C ATOM 714 C TYR A 59 8.115 -10.408 -2.973 1.00 0.00 C ATOM 715 O TYR A 59 6.897 -10.631 -2.965 1.00 0.00 O ATOM 716 CB TYR A 59 7.960 -9.701 -0.523 1.00 0.00 C ATOM 717 CG TYR A 59 8.714 -9.544 0.793 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.296 -10.686 1.378 1.00 0.00 C ATOM 719 CD2 TYR A 59 9.011 -8.236 1.219 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.257 -10.514 2.393 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.975 -8.056 2.229 1.00 0.00 C ATOM 722 CZ TYR A 59 10.586 -9.198 2.790 1.00 0.00 C ATOM 723 OH TYR A 59 11.624 -9.026 3.630 1.00 0.00 O ATOM 0 H TYR A 59 9.267 -7.986 -2.168 1.00 0.00 H new ATOM 0 HA TYR A 59 9.506 -10.868 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.400 -8.788 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.232 -10.506 -0.426 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.010 -11.676 1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.509 -7.387 0.780 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.731 -11.367 2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.241 -7.066 2.567 1.00 0.00 H new ATOM 0 HH TYR A 59 11.944 -9.900 3.938 1.00 0.00 H new ATOM 733 N SER A 60 8.899 -10.565 -4.032 1.00 0.00 N ATOM 734 CA SER A 60 8.403 -11.033 -5.347 1.00 0.00 C ATOM 735 C SER A 60 7.782 -12.438 -5.258 1.00 0.00 C ATOM 736 O SER A 60 8.444 -13.387 -4.838 1.00 0.00 O ATOM 737 CB SER A 60 9.518 -11.033 -6.390 1.00 0.00 C ATOM 738 OG SER A 60 9.883 -9.678 -6.695 1.00 0.00 O ATOM 0 H SER A 60 9.901 -10.375 -4.017 1.00 0.00 H new ATOM 0 HA SER A 60 7.627 -10.332 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.383 -11.579 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.186 -11.545 -7.294 1.00 0.00 H new ATOM 0 HG SER A 60 9.289 -9.063 -6.215 1.00 0.00 H new ATOM 744 N GLY A 61 6.454 -12.431 -5.323 1.00 0.00 N ATOM 745 CA GLY A 61 5.627 -13.652 -5.235 1.00 0.00 C ATOM 746 C GLY A 61 4.871 -13.709 -3.901 1.00 0.00 C ATOM 747 O GLY A 61 3.656 -13.827 -3.873 1.00 0.00 O ATOM 0 H GLY A 61 5.908 -11.577 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.916 -13.674 -6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.261 -14.533 -5.336 1.00 0.00 H new ATOM 751 N LYS A 62 5.648 -13.529 -2.823 1.00 0.00 N ATOM 752 CA LYS A 62 5.171 -13.437 -1.432 1.00 0.00 C ATOM 753 C LYS A 62 3.941 -12.541 -1.269 1.00 0.00 C ATOM 754 O LYS A 62 2.992 -12.884 -0.562 1.00 0.00 O ATOM 755 CB LYS A 62 6.242 -12.839 -0.502 1.00 0.00 C ATOM 756 CG LYS A 62 7.350 -13.837 -0.148 1.00 0.00 C ATOM 757 CD LYS A 62 8.455 -13.923 -1.203 1.00 0.00 C ATOM 758 CE LYS A 62 9.540 -14.892 -0.719 1.00 0.00 C ATOM 759 NZ LYS A 62 10.734 -14.713 -1.541 1.00 0.00 N ATOM 0 H LYS A 62 6.661 -13.440 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 62 4.927 -14.466 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.686 -11.966 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.766 -12.492 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.792 -13.553 0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.909 -14.825 -0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.042 -14.265 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.884 -12.936 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.772 -14.705 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.185 -15.920 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.477 -15.366 -1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.504 -14.911 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.073 -13.734 -1.453 1.00 0.00 H new ATOM 773 N ILE A 63 4.040 -11.372 -1.876 1.00 0.00 N ATOM 774 CA ILE A 63 3.005 -10.343 -1.749 1.00 0.00 C ATOM 775 C ILE A 63 2.413 -9.802 -3.044 1.00 0.00 C ATOM 776 O ILE A 63 3.047 -9.669 -4.091 1.00 0.00 O ATOM 777 CB ILE A 63 3.401 -9.184 -0.803 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.721 -8.493 -1.140 1.00 0.00 C ATOM 779 CG2 ILE A 63 3.393 -9.665 0.651 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.621 -7.510 -2.299 1.00 0.00 C ATOM 0 H ILE A 63 4.828 -11.104 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 63 2.195 -10.910 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 63 2.642 -8.416 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.079 -7.964 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.466 -9.251 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.673 -8.842 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.394 -10.015 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.106 -10.481 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.597 -7.059 -2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.293 -8.037 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.901 -6.730 -2.053 1.00 0.00 H new ATOM 792 N ALA A 64 1.172 -9.400 -2.810 1.00 0.00 N ATOM 793 CA ALA A 64 0.320 -8.691 -3.764 1.00 0.00 C ATOM 794 C ALA A 64 0.247 -7.208 -3.362 1.00 0.00 C ATOM 795 O ALA A 64 -0.254 -6.825 -2.300 1.00 0.00 O ATOM 796 CB ALA A 64 -1.039 -9.372 -3.737 1.00 0.00 C ATOM 0 H ALA A 64 0.709 -9.564 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 64 0.712 -8.725 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.710 -8.874 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.928 -10.418 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.455 -9.314 -2.731 1.00 0.00 H new ATOM 802 N VAL A 65 0.914 -6.429 -4.192 1.00 0.00 N ATOM 803 CA VAL A 65 1.135 -4.973 -4.063 1.00 0.00 C ATOM 804 C VAL A 65 0.061 -4.147 -4.794 1.00 0.00 C ATOM 805 O VAL A 65 -0.158 -4.282 -5.996 1.00 0.00 O ATOM 806 CB VAL A 65 2.553 -4.568 -4.515 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.415 -4.283 -3.284 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.252 -5.508 -5.498 1.00 0.00 C ATOM 0 H VAL A 65 1.350 -6.806 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 65 1.045 -4.742 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 65 2.421 -3.664 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.418 -3.997 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.970 -3.471 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.472 -5.178 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.240 -5.114 -5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.355 -6.495 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.661 -5.586 -6.410 1.00 0.00 H new ATOM 818 N TYR A 66 -0.685 -3.403 -3.972 1.00 0.00 N ATOM 819 CA TYR A 66 -1.807 -2.549 -4.407 1.00 0.00 C ATOM 820 C TYR A 66 -1.661 -1.071 -3.993 1.00 0.00 C ATOM 821 O TYR A 66 -0.987 -0.741 -3.021 1.00 0.00 O ATOM 822 CB TYR A 66 -3.088 -3.088 -3.771 1.00 0.00 C ATOM 823 CG TYR A 66 -3.321 -4.587 -4.014 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.615 -5.049 -5.308 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.212 -5.462 -2.916 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.813 -6.428 -5.523 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.410 -6.841 -3.131 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.704 -7.303 -4.425 1.00 0.00 C ATOM 829 OH TYR A 66 -3.800 -8.642 -4.649 1.00 0.00 O ATOM 0 H TYR A 66 -0.527 -3.373 -2.965 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.826 -2.579 -5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.053 -2.905 -2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.939 -2.530 -4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.689 -4.353 -6.131 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.982 -5.085 -1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.043 -6.805 -6.508 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.336 -7.537 -2.308 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.742 -8.911 -4.622 1.00 0.00 H new ATOM 839 N LYS A 67 -2.377 -0.215 -4.724 1.00 0.00 N ATOM 840 CA LYS A 67 -2.435 1.243 -4.474 1.00 0.00 C ATOM 841 C LYS A 67 -3.865 1.811 -4.563 1.00 0.00 C ATOM 842 O LYS A 67 -4.540 1.738 -5.589 1.00 0.00 O ATOM 843 CB LYS A 67 -1.442 2.020 -5.367 1.00 0.00 C ATOM 844 CG LYS A 67 -1.641 1.835 -6.881 1.00 0.00 C ATOM 845 CD LYS A 67 -1.135 0.492 -7.429 1.00 0.00 C ATOM 846 CE LYS A 67 0.176 0.669 -8.193 1.00 0.00 C ATOM 847 NZ LYS A 67 0.619 -0.660 -8.623 1.00 0.00 N ATOM 0 H LYS A 67 -2.944 -0.510 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.119 1.389 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.522 3.082 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.429 1.712 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.702 1.930 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.129 2.643 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.989 -0.208 -6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.887 0.058 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.033 1.322 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.929 1.137 -7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.513 -0.575 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.764 -1.264 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.104 -1.085 -9.237 1.00 0.00 H new ATOM 861 N LEU A 68 -4.337 2.186 -3.380 1.00 0.00 N ATOM 862 CA LEU A 68 -5.698 2.728 -3.171 1.00 0.00 C ATOM 863 C LEU A 68 -5.815 4.235 -3.398 1.00 0.00 C ATOM 864 O LEU A 68 -5.272 5.059 -2.668 1.00 0.00 O ATOM 865 CB LEU A 68 -6.234 2.358 -1.775 1.00 0.00 C ATOM 866 CG LEU A 68 -7.744 2.630 -1.760 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.523 1.351 -1.474 1.00 0.00 C ATOM 868 CD2 LEU A 68 -8.155 3.774 -0.838 1.00 0.00 C ATOM 0 H LEU A 68 -3.789 2.126 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.313 2.256 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.033 1.309 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.733 2.946 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.005 2.971 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.591 1.569 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.307 0.613 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.228 0.955 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.236 3.906 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.858 3.541 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.664 4.693 -1.158 1.00 0.00 H new ATOM 880 N ASN A 69 -6.753 4.510 -4.288 1.00 0.00 N ATOM 881 CA ASN A 69 -7.193 5.866 -4.655 1.00 0.00 C ATOM 882 C ASN A 69 -8.169 6.337 -3.588 1.00 0.00 C ATOM 883 O ASN A 69 -9.362 6.056 -3.605 1.00 0.00 O ATOM 884 CB ASN A 69 -7.832 5.789 -6.031 1.00 0.00 C ATOM 885 CG ASN A 69 -6.897 5.349 -7.161 1.00 0.00 C ATOM 886 OD1 ASN A 69 -5.997 4.530 -7.027 1.00 0.00 O ATOM 887 ND2 ASN A 69 -7.139 5.866 -8.336 1.00 0.00 N ATOM 0 H ASN A 69 -7.252 3.780 -4.797 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.370 6.579 -4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.672 5.096 -5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.240 6.769 -6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.578 5.587 -9.141 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.889 6.548 -8.448 1.00 0.00 H new ATOM 894 N THR A 70 -7.601 7.019 -2.611 1.00 0.00 N ATOM 895 CA THR A 70 -8.346 7.500 -1.423 1.00 0.00 C ATOM 896 C THR A 70 -9.633 8.278 -1.736 1.00 0.00 C ATOM 897 O THR A 70 -10.714 7.854 -1.327 1.00 0.00 O ATOM 898 CB THR A 70 -7.428 8.324 -0.534 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.768 9.318 -1.321 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.445 7.407 0.183 1.00 0.00 C ATOM 0 H THR A 70 -6.611 7.264 -2.602 1.00 0.00 H new ATOM 0 HA THR A 70 -8.679 6.602 -0.902 1.00 0.00 H new ATOM 0 HB THR A 70 -8.007 8.840 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.858 9.020 -1.528 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.789 8.002 0.819 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.995 6.693 0.796 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.847 6.869 -0.552 1.00 0.00 H new ATOM 908 N ASP A 71 -9.517 9.207 -2.680 1.00 0.00 N ATOM 909 CA ASP A 71 -10.666 9.987 -3.188 1.00 0.00 C ATOM 910 C ASP A 71 -11.747 9.136 -3.879 1.00 0.00 C ATOM 911 O ASP A 71 -12.896 9.548 -3.971 1.00 0.00 O ATOM 912 CB ASP A 71 -10.243 11.098 -4.151 1.00 0.00 C ATOM 913 CG ASP A 71 -9.828 12.380 -3.412 1.00 0.00 C ATOM 914 OD1 ASP A 71 -10.471 12.727 -2.409 1.00 0.00 O ATOM 915 OD2 ASP A 71 -8.815 12.964 -3.814 1.00 0.00 O ATOM 0 H ASP A 71 -8.629 9.448 -3.121 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.097 10.422 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.412 10.749 -4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.067 11.322 -4.829 1.00 0.00 H new ATOM 921 N GLU A 72 -11.324 7.997 -4.394 1.00 0.00 N ATOM 922 CA GLU A 72 -12.202 7.025 -5.079 1.00 0.00 C ATOM 923 C GLU A 72 -12.834 6.005 -4.116 1.00 0.00 C ATOM 924 O GLU A 72 -13.768 5.298 -4.491 1.00 0.00 O ATOM 925 CB GLU A 72 -11.330 6.288 -6.094 1.00 0.00 C ATOM 926 CG GLU A 72 -12.053 6.064 -7.425 1.00 0.00 C ATOM 927 CD GLU A 72 -11.115 5.363 -8.413 1.00 0.00 C ATOM 928 OE1 GLU A 72 -11.463 4.222 -8.786 1.00 0.00 O ATOM 929 OE2 GLU A 72 -10.054 5.954 -8.722 1.00 0.00 O ATOM 0 H GLU A 72 -10.348 7.702 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.029 7.560 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.418 6.859 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.028 5.326 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.947 5.460 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.382 7.019 -7.836 1.00 0.00 H new ATOM 937 N ALA A 73 -12.263 5.882 -2.924 1.00 0.00 N ATOM 938 CA ALA A 73 -12.758 4.952 -1.891 1.00 0.00 C ATOM 939 C ALA A 73 -13.026 5.619 -0.523 1.00 0.00 C ATOM 940 O ALA A 73 -12.342 5.323 0.463 1.00 0.00 O ATOM 941 CB ALA A 73 -11.792 3.759 -1.812 1.00 0.00 C ATOM 0 H ALA A 73 -11.445 6.419 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.745 4.595 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.140 3.058 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.754 3.257 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.796 4.114 -1.548 1.00 0.00 H new ATOM 947 N PRO A 74 -14.142 6.366 -0.402 1.00 0.00 N ATOM 948 CA PRO A 74 -14.524 7.036 0.865 1.00 0.00 C ATOM 949 C PRO A 74 -15.267 6.109 1.858 1.00 0.00 C ATOM 950 O PRO A 74 -16.009 6.554 2.726 1.00 0.00 O ATOM 951 CB PRO A 74 -15.370 8.240 0.435 1.00 0.00 C ATOM 952 CG PRO A 74 -15.845 7.955 -0.991 1.00 0.00 C ATOM 953 CD PRO A 74 -15.069 6.740 -1.485 1.00 0.00 C ATOM 0 HA PRO A 74 -13.641 7.338 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -16.218 8.377 1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.784 9.158 0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.917 7.761 -1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.666 8.815 -1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.745 5.917 -1.719 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.523 6.974 -2.399 1.00 0.00 H new ATOM 961 N GLY A 75 -14.896 4.834 1.801 1.00 0.00 N ATOM 962 CA GLY A 75 -15.410 3.745 2.650 1.00 0.00 C ATOM 963 C GLY A 75 -14.250 2.919 3.213 1.00 0.00 C ATOM 964 O GLY A 75 -14.158 2.701 4.420 1.00 0.00 O ATOM 0 H GLY A 75 -14.197 4.508 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.001 4.159 3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.074 3.104 2.070 1.00 0.00 H new ATOM 968 N ILE A 76 -13.317 2.572 2.332 1.00 0.00 N ATOM 969 CA ILE A 76 -12.092 1.863 2.708 1.00 0.00 C ATOM 970 C ILE A 76 -11.227 2.705 3.662 1.00 0.00 C ATOM 971 O ILE A 76 -11.007 2.322 4.807 1.00 0.00 O ATOM 972 CB ILE A 76 -11.349 1.460 1.419 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.193 0.547 0.503 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.987 0.840 1.700 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.763 -0.701 1.186 1.00 0.00 C ATOM 0 H ILE A 76 -13.386 2.774 1.335 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.336 0.958 3.264 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.180 2.391 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.019 1.130 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.577 0.233 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.507 0.575 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.364 1.557 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.113 -0.056 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.340 -1.279 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.945 -1.311 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.409 -0.401 2.011 1.00 0.00 H new ATOM 987 N ALA A 77 -10.842 3.880 3.185 1.00 0.00 N ATOM 988 CA ALA A 77 -10.055 4.844 3.972 1.00 0.00 C ATOM 989 C ALA A 77 -10.618 5.121 5.382 1.00 0.00 C ATOM 990 O ALA A 77 -9.904 4.981 6.369 1.00 0.00 O ATOM 991 CB ALA A 77 -9.962 6.149 3.163 1.00 0.00 C ATOM 0 H ALA A 77 -11.062 4.201 2.242 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.072 4.407 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.383 6.884 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.473 5.952 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.964 6.538 2.983 1.00 0.00 H new ATOM 997 N THR A 78 -11.953 5.199 5.426 1.00 0.00 N ATOM 998 CA THR A 78 -12.778 5.356 6.640 1.00 0.00 C ATOM 999 C THR A 78 -12.577 4.146 7.572 1.00 0.00 C ATOM 1000 O THR A 78 -12.069 4.275 8.676 1.00 0.00 O ATOM 1001 CB THR A 78 -14.231 5.322 6.196 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.421 6.170 5.055 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.226 5.649 7.317 1.00 0.00 C ATOM 0 H THR A 78 -12.519 5.153 4.579 1.00 0.00 H new ATOM 0 HA THR A 78 -12.509 6.279 7.154 1.00 0.00 H new ATOM 0 HB THR A 78 -14.449 4.292 5.913 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.196 5.859 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.242 5.605 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.116 4.924 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.027 6.650 7.699 1.00 0.00 H new ATOM 1011 N GLN A 79 -12.969 2.989 7.045 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.019 1.720 7.771 1.00 0.00 C ATOM 1013 C GLN A 79 -11.680 1.344 8.439 1.00 0.00 C ATOM 1014 O GLN A 79 -11.622 0.945 9.594 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.423 0.604 6.787 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.829 -0.694 7.471 1.00 0.00 C ATOM 1017 CD GLN A 79 -15.169 -0.564 8.209 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.277 -0.069 9.316 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -16.228 -1.020 7.584 1.00 0.00 N ATOM 0 H GLN A 79 -13.269 2.904 6.074 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.750 1.834 8.572 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.252 0.956 6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.589 0.405 6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.901 -1.488 6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.053 -0.989 8.178 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.134 -1.434 6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.146 -0.960 8.025 1.00 0.00 H new ATOM 1028 N TYR A 80 -10.608 1.671 7.723 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.230 1.369 8.150 1.00 0.00 C ATOM 1030 C TYR A 80 -8.552 2.488 8.951 1.00 0.00 C ATOM 1031 O TYR A 80 -7.412 2.316 9.386 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.437 0.965 6.893 1.00 0.00 C ATOM 1033 CG TYR A 80 -8.985 -0.345 6.302 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.235 -1.453 7.146 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.567 -0.258 5.032 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.148 -2.448 6.736 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.486 -1.230 4.615 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.771 -2.316 5.477 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.606 -3.295 5.060 1.00 0.00 O ATOM 0 H TYR A 80 -10.662 2.154 6.827 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.257 0.546 8.865 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.497 1.759 6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.384 0.843 7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.731 -1.537 8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.308 0.558 4.374 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.365 -3.293 7.373 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.969 -1.152 3.652 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.962 -3.067 4.176 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.290 3.573 9.175 1.00 0.00 N ATOM 1050 CA ASN A 81 -8.855 4.745 9.968 1.00 0.00 C ATOM 1051 C ASN A 81 -7.547 5.390 9.463 1.00 0.00 C ATOM 1052 O ASN A 81 -6.661 5.803 10.224 1.00 0.00 O ATOM 1053 CB ASN A 81 -8.774 4.380 11.459 1.00 0.00 C ATOM 1054 CG ASN A 81 -10.166 4.338 12.100 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -10.596 5.284 12.742 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -10.883 3.255 11.917 1.00 0.00 N ATOM 0 H ASN A 81 -10.235 3.675 8.804 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.617 5.513 9.833 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.290 3.410 11.572 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.153 5.109 11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.820 3.191 12.314 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.503 2.477 11.377 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.525 5.582 8.151 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.319 6.121 7.483 1.00 0.00 C ATOM 1065 C ILE A 82 -6.412 7.636 7.403 1.00 0.00 C ATOM 1066 O ILE A 82 -7.300 8.260 6.811 1.00 0.00 O ATOM 1067 CB ILE A 82 -5.953 5.355 6.179 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.599 5.907 4.912 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.151 3.846 6.285 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -5.753 7.050 4.365 1.00 0.00 C ATOM 0 H ILE A 82 -8.306 5.381 7.527 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.434 5.927 8.090 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.884 5.538 6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.690 5.119 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.608 6.259 5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.877 3.376 5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.522 3.452 7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.196 3.631 6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.215 7.444 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.684 7.841 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.753 6.684 4.132 1.00 0.00 H new ATOM 1082 N ARG A 83 -5.606 8.156 8.313 1.00 0.00 N ATOM 1083 CA ARG A 83 -5.463 9.610 8.563 1.00 0.00 C ATOM 1084 C ARG A 83 -4.234 10.218 7.884 1.00 0.00 C ATOM 1085 O ARG A 83 -4.125 11.433 7.764 1.00 0.00 O ATOM 1086 CB ARG A 83 -5.394 9.833 10.079 1.00 0.00 C ATOM 1087 CG ARG A 83 -6.592 9.225 10.803 1.00 0.00 C ATOM 1088 CD ARG A 83 -7.905 9.901 10.413 1.00 0.00 C ATOM 1089 NE ARG A 83 -8.988 9.026 10.866 1.00 0.00 N ATOM 1090 CZ ARG A 83 -9.951 8.512 10.107 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -9.952 8.638 8.788 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -10.858 7.728 10.682 1.00 0.00 N ATOM 0 H ARG A 83 -5.016 7.584 8.917 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.327 10.114 8.131 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.475 9.395 10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.350 10.902 10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.651 8.161 10.574 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.446 9.312 11.880 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.985 10.885 10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.956 10.051 9.335 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.005 8.788 11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.197 9.143 8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.708 8.230 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.804 7.534 11.682 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.608 7.320 10.123 1.00 0.00 H new ATOM 1106 N SER A 84 -3.338 9.346 7.430 1.00 0.00 N ATOM 1107 CA SER A 84 -2.077 9.799 6.818 1.00 0.00 C ATOM 1108 C SER A 84 -1.883 9.257 5.409 1.00 0.00 C ATOM 1109 O SER A 84 -2.290 8.146 5.075 1.00 0.00 O ATOM 1110 CB SER A 84 -0.895 9.407 7.709 1.00 0.00 C ATOM 1111 OG SER A 84 0.274 10.051 7.217 1.00 0.00 O ATOM 0 H SER A 84 -3.452 8.333 7.470 1.00 0.00 H new ATOM 0 HA SER A 84 -2.128 10.885 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.084 9.702 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.761 8.325 7.706 1.00 0.00 H new ATOM 0 HG SER A 84 1.041 9.811 7.779 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.298 10.116 4.581 1.00 0.00 N ATOM 1118 CA ILE A 85 -0.918 9.750 3.210 1.00 0.00 C ATOM 1119 C ILE A 85 0.617 9.918 3.076 1.00 0.00 C ATOM 1120 O ILE A 85 1.082 11.054 3.065 1.00 0.00 O ATOM 1121 CB ILE A 85 -1.722 10.528 2.149 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.242 10.287 2.291 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -1.243 10.226 0.721 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.716 8.842 2.111 1.00 0.00 C ATOM 0 H ILE A 85 -1.073 11.079 4.833 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.172 8.708 3.018 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.537 11.586 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.553 10.629 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.758 10.910 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.839 10.797 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.194 10.505 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.356 9.161 0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.798 8.796 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.448 8.493 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.240 8.207 2.858 1.00 0.00 H new ATOM 1136 N PRO A 86 1.315 8.799 2.894 1.00 0.00 N ATOM 1137 CA PRO A 86 0.755 7.426 2.815 1.00 0.00 C ATOM 1138 C PRO A 86 0.524 6.710 4.156 1.00 0.00 C ATOM 1139 O PRO A 86 0.693 7.294 5.227 1.00 0.00 O ATOM 1140 CB PRO A 86 1.714 6.661 1.902 1.00 0.00 C ATOM 1141 CG PRO A 86 3.022 7.455 1.870 1.00 0.00 C ATOM 1142 CD PRO A 86 2.758 8.787 2.575 1.00 0.00 C ATOM 0 HA PRO A 86 -0.261 7.475 2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.883 5.652 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.297 6.562 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.819 6.905 2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.347 7.621 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.359 8.875 3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.023 9.627 1.933 1.00 0.00 H new ATOM 1150 N THR A 87 -0.326 5.701 4.017 1.00 0.00 N ATOM 1151 CA THR A 87 -0.601 4.646 5.015 1.00 0.00 C ATOM 1152 C THR A 87 -0.643 3.312 4.264 1.00 0.00 C ATOM 1153 O THR A 87 -1.017 3.261 3.087 1.00 0.00 O ATOM 1154 CB THR A 87 -1.907 4.897 5.782 1.00 0.00 C ATOM 1155 OG1 THR A 87 -1.714 6.072 6.563 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.352 3.749 6.704 1.00 0.00 C ATOM 0 H THR A 87 -0.876 5.580 3.166 1.00 0.00 H new ATOM 0 HA THR A 87 0.184 4.639 5.771 1.00 0.00 H new ATOM 0 HB THR A 87 -2.702 4.994 5.043 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.086 6.845 6.089 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.283 4.021 7.201 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.507 2.847 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.582 3.564 7.453 1.00 0.00 H new ATOM 1164 N VAL A 88 -0.178 2.277 4.948 1.00 0.00 N ATOM 1165 CA VAL A 88 -0.190 0.909 4.407 1.00 0.00 C ATOM 1166 C VAL A 88 -0.702 -0.109 5.441 1.00 0.00 C ATOM 1167 O VAL A 88 -0.444 0.008 6.638 1.00 0.00 O ATOM 1168 CB VAL A 88 1.190 0.564 3.812 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.268 0.424 4.882 1.00 0.00 C ATOM 1170 CG2 VAL A 88 1.132 -0.679 2.928 1.00 0.00 C ATOM 0 H VAL A 88 0.217 2.351 5.886 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.906 0.853 3.587 1.00 0.00 H new ATOM 0 HB VAL A 88 1.470 1.409 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.220 0.181 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.363 1.363 5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.993 -0.372 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.124 -0.888 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.792 -1.530 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.438 -0.508 2.105 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.538 -0.987 4.921 1.00 0.00 N ATOM 1181 CA LEU A 89 -2.108 -2.118 5.670 1.00 0.00 C ATOM 1182 C LEU A 89 -1.638 -3.439 5.069 1.00 0.00 C ATOM 1183 O LEU A 89 -1.608 -3.619 3.846 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.635 -2.099 5.711 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.201 -1.148 6.767 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -4.219 0.310 6.289 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.628 -1.584 7.083 1.00 0.00 C ATOM 0 H LEU A 89 -1.853 -0.944 3.952 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.752 -2.019 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.014 -1.809 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.999 -3.107 5.908 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.561 -1.195 7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.629 0.945 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.203 0.630 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.838 0.392 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.053 -0.920 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.231 -1.539 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.621 -2.605 7.464 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.354 -4.356 5.985 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.791 -5.683 5.738 1.00 0.00 C ATOM 1201 C PHE A 90 -1.779 -6.744 6.179 1.00 0.00 C ATOM 1202 O PHE A 90 -2.279 -6.757 7.303 1.00 0.00 O ATOM 1203 CB PHE A 90 0.540 -5.874 6.485 1.00 0.00 C ATOM 1204 CG PHE A 90 1.696 -5.072 5.896 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.642 -3.667 5.839 1.00 0.00 C ATOM 1206 CD2 PHE A 90 2.791 -5.771 5.349 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.668 -2.948 5.204 1.00 0.00 C ATOM 1208 CE2 PHE A 90 3.835 -5.055 4.742 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.767 -3.651 4.650 1.00 0.00 C ATOM 0 H PHE A 90 -1.519 -4.187 6.977 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.597 -5.777 4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.405 -5.587 7.528 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.802 -6.932 6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.811 -3.141 6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.827 -6.849 5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.620 -1.871 5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.691 -5.581 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.557 -3.107 4.154 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.216 -7.406 5.129 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.171 -8.525 5.091 1.00 0.00 C ATOM 1221 C PHE A 91 -2.391 -9.770 4.679 1.00 0.00 C ATOM 1222 O PHE A 91 -1.319 -9.705 4.075 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.233 -8.295 4.020 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.068 -7.022 4.169 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.502 -5.775 3.804 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.416 -7.134 4.570 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.313 -4.619 3.833 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.224 -5.974 4.612 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.657 -4.727 4.247 1.00 0.00 C ATOM 0 H PHE A 91 -1.892 -7.164 4.192 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.649 -8.623 6.066 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.741 -8.272 3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.908 -9.151 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.465 -5.710 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.826 -8.095 4.842 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.908 -3.661 3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.258 -6.037 4.918 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.269 -3.838 4.287 1.00 0.00 H new ATOM 1239 N LYS A 92 -2.960 -10.904 5.055 1.00 0.00 N ATOM 1240 CA LYS A 92 -2.463 -12.176 4.546 1.00 0.00 C ATOM 1241 C LYS A 92 -3.382 -12.588 3.374 1.00 0.00 C ATOM 1242 O LYS A 92 -3.486 -11.858 2.388 1.00 0.00 O ATOM 1243 CB LYS A 92 -2.366 -13.168 5.709 1.00 0.00 C ATOM 1244 CG LYS A 92 -1.470 -14.330 5.291 1.00 0.00 C ATOM 1245 CD LYS A 92 -1.267 -15.277 6.458 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.328 -16.386 6.013 1.00 0.00 C ATOM 1247 NZ LYS A 92 0.064 -17.146 7.198 1.00 0.00 N ATOM 0 H LYS A 92 -3.750 -10.973 5.697 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.452 -12.128 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.958 -12.676 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.357 -13.533 5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.920 -14.863 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.507 -13.952 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.848 -14.744 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.221 -15.694 6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.821 -17.035 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.550 -15.968 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.709 -17.913 6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.545 -16.516 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.783 -17.550 7.647 1.00 0.00 H new ATOM 1261 N ASN A 93 -4.307 -13.483 3.675 1.00 0.00 N ATOM 1262 CA ASN A 93 -5.279 -14.006 2.708 1.00 0.00 C ATOM 1263 C ASN A 93 -6.672 -13.504 3.093 1.00 0.00 C ATOM 1264 O ASN A 93 -7.413 -14.118 3.866 1.00 0.00 O ATOM 1265 CB ASN A 93 -5.155 -15.537 2.665 1.00 0.00 C ATOM 1266 CG ASN A 93 -5.323 -16.222 4.020 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -4.954 -15.750 5.088 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -5.905 -17.392 3.972 1.00 0.00 N ATOM 0 H ASN A 93 -4.412 -13.878 4.610 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.087 -13.649 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.903 -15.931 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.178 -15.799 2.258 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.056 -17.922 4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.208 -17.775 3.076 1.00 0.00 H new ATOM 1275 N GLY A 94 -6.862 -12.244 2.702 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.038 -11.440 3.049 1.00 0.00 C ATOM 1277 C GLY A 94 -8.228 -11.216 4.560 1.00 0.00 C ATOM 1278 O GLY A 94 -9.339 -10.955 5.007 1.00 0.00 O ATOM 0 H GLY A 94 -6.189 -11.741 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.959 -10.471 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.928 -11.928 2.651 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.119 -11.145 5.282 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.125 -11.057 6.756 1.00 0.00 C ATOM 1284 C GLU A 95 -6.037 -10.066 7.151 1.00 0.00 C ATOM 1285 O GLU A 95 -4.865 -10.312 6.869 1.00 0.00 O ATOM 1286 CB GLU A 95 -6.773 -12.396 7.389 1.00 0.00 C ATOM 1287 CG GLU A 95 -7.785 -13.516 7.124 1.00 0.00 C ATOM 1288 CD GLU A 95 -7.190 -14.921 7.302 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -6.001 -15.020 7.685 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -7.964 -15.879 7.087 1.00 0.00 O ATOM 0 H GLU A 95 -6.184 -11.146 4.874 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.117 -10.755 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.797 -12.712 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.677 -12.259 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.633 -13.399 7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.170 -13.417 6.109 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.419 -9.099 7.960 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.542 -7.967 8.287 1.00 0.00 C ATOM 1300 C ARG A 96 -4.765 -8.201 9.577 1.00 0.00 C ATOM 1301 O ARG A 96 -5.313 -8.558 10.622 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.394 -6.714 8.386 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.500 -5.499 8.175 1.00 0.00 C ATOM 1304 CD ARG A 96 -5.711 -4.498 9.313 1.00 0.00 C ATOM 1305 NE ARG A 96 -5.107 -4.952 10.578 1.00 0.00 N ATOM 1306 CZ ARG A 96 -4.701 -4.122 11.539 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -4.954 -2.829 11.487 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -4.148 -4.558 12.663 1.00 0.00 N ATOM 0 H ARG A 96 -7.333 -9.065 8.411 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.799 -7.854 7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.186 -6.735 7.637 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.878 -6.662 9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.455 -5.807 8.138 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.728 -5.030 7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.281 -3.537 9.032 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.779 -4.339 9.460 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.993 -5.955 10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.472 -2.442 10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.632 -2.216 12.236 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.021 -5.559 12.814 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.849 -3.893 13.376 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.486 -7.878 9.463 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.457 -8.227 10.464 1.00 0.00 C ATOM 1324 C LYS A 97 -1.851 -6.985 11.128 1.00 0.00 C ATOM 1325 O LYS A 97 -1.934 -6.813 12.339 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.336 -9.028 9.760 1.00 0.00 C ATOM 1327 CG LYS A 97 -1.831 -9.861 8.566 1.00 0.00 C ATOM 1328 CD LYS A 97 -2.746 -11.001 8.999 1.00 0.00 C ATOM 1329 CE LYS A 97 -1.864 -12.172 9.358 1.00 0.00 C ATOM 1330 NZ LYS A 97 -2.233 -12.897 10.580 1.00 0.00 N ATOM 0 H LYS A 97 -3.116 -7.359 8.667 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.931 -8.819 11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.568 -8.336 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.865 -9.692 10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.364 -9.214 7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.974 -10.269 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.355 -10.702 9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.433 -11.269 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.869 -12.875 8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.841 -11.813 9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.565 -13.679 10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.200 -12.248 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.196 -13.278 10.480 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.357 -6.079 10.278 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.568 -4.907 10.689 1.00 0.00 C ATOM 1346 C GLU A 98 -0.888 -3.651 9.872 1.00 0.00 C ATOM 1347 O GLU A 98 -1.005 -3.706 8.646 1.00 0.00 O ATOM 1348 CB GLU A 98 0.899 -5.333 10.527 1.00 0.00 C ATOM 1349 CG GLU A 98 1.959 -4.302 10.932 1.00 0.00 C ATOM 1350 CD GLU A 98 1.881 -3.925 12.409 1.00 0.00 C ATOM 1351 OE1 GLU A 98 1.301 -2.850 12.682 1.00 0.00 O ATOM 1352 OE2 GLU A 98 2.411 -4.699 13.230 1.00 0.00 O ATOM 0 H GLU A 98 -1.495 -6.138 9.269 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.803 -4.623 11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.059 -6.236 11.116 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.064 -5.600 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.950 -4.701 10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.837 -3.405 10.325 1.00 0.00 H new ATOM 1360 N SER A 99 -0.921 -2.512 10.557 1.00 0.00 N ATOM 1361 CA SER A 99 -1.143 -1.199 9.924 1.00 0.00 C ATOM 1362 C SER A 99 -0.069 -0.155 10.272 1.00 0.00 C ATOM 1363 O SER A 99 -0.033 0.381 11.380 1.00 0.00 O ATOM 1364 CB SER A 99 -2.538 -0.650 10.260 1.00 0.00 C ATOM 1365 OG SER A 99 -2.705 -0.573 11.687 1.00 0.00 O ATOM 0 H SER A 99 -0.795 -2.464 11.568 1.00 0.00 H new ATOM 0 HA SER A 99 -1.071 -1.378 8.851 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.666 0.338 9.817 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.305 -1.294 9.830 1.00 0.00 H new ATOM 0 HG SER A 99 -1.899 -0.187 12.090 1.00 0.00 H new ATOM 1371 N ILE A 100 0.698 0.193 9.256 1.00 0.00 N ATOM 1372 CA ILE A 100 1.781 1.195 9.347 1.00 0.00 C ATOM 1373 C ILE A 100 1.275 2.524 8.766 1.00 0.00 C ATOM 1374 O ILE A 100 1.123 2.730 7.559 1.00 0.00 O ATOM 1375 CB ILE A 100 3.100 0.774 8.675 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.637 -0.546 9.226 1.00 0.00 C ATOM 1377 CG2 ILE A 100 4.198 1.828 8.876 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.187 -1.683 8.329 1.00 0.00 C ATOM 0 H ILE A 100 0.597 -0.210 8.324 1.00 0.00 H new ATOM 0 HA ILE A 100 2.028 1.299 10.404 1.00 0.00 H new ATOM 0 HB ILE A 100 2.861 0.664 7.617 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.725 -0.516 9.277 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.275 -0.704 10.242 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.114 1.496 8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.877 2.775 8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.383 1.962 9.942 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.568 -2.627 8.719 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.098 -1.715 8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.571 -1.525 7.321 1.00 0.00 H new ATOM 1390 N ILE A 101 0.926 3.360 9.735 1.00 0.00 N ATOM 1391 CA ILE A 101 0.564 4.769 9.529 1.00 0.00 C ATOM 1392 C ILE A 101 1.848 5.532 9.144 1.00 0.00 C ATOM 1393 O ILE A 101 2.948 5.170 9.573 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.034 5.230 10.877 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.289 4.421 11.287 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -0.270 6.738 10.980 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -2.469 4.450 10.294 1.00 0.00 C ATOM 0 H ILE A 101 0.884 3.076 10.714 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.159 4.942 8.732 1.00 0.00 H new ATOM 0 HB ILE A 101 0.745 5.008 11.606 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.994 3.383 11.439 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.640 4.796 12.248 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.691 6.974 11.957 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.677 7.264 10.856 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.964 7.052 10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.290 3.850 10.687 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.804 5.478 10.157 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.148 4.043 9.335 1.00 0.00 H new ATOM 1409 N GLY A 102 1.722 6.339 8.087 1.00 0.00 N ATOM 1410 CA GLY A 102 2.852 7.123 7.536 1.00 0.00 C ATOM 1411 C GLY A 102 3.536 6.375 6.386 1.00 0.00 C ATOM 1412 O GLY A 102 3.901 6.990 5.384 1.00 0.00 O ATOM 0 H GLY A 102 0.844 6.473 7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.490 8.088 7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.577 7.325 8.325 1.00 0.00 H new ATOM 1416 N ALA A 103 3.716 5.068 6.586 1.00 0.00 N ATOM 1417 CA ALA A 103 4.310 4.116 5.617 1.00 0.00 C ATOM 1418 C ALA A 103 5.687 4.520 5.043 1.00 0.00 C ATOM 1419 O ALA A 103 6.080 4.135 3.944 1.00 0.00 O ATOM 1420 CB ALA A 103 3.289 3.843 4.502 1.00 0.00 C ATOM 0 H ALA A 103 3.445 4.616 7.459 1.00 0.00 H new ATOM 0 HA ALA A 103 4.529 3.205 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.714 3.144 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.385 3.414 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.042 4.777 3.998 1.00 0.00 H new ATOM 1426 N VAL A 104 6.490 5.072 5.941 1.00 0.00 N ATOM 1427 CA VAL A 104 7.800 5.655 5.595 1.00 0.00 C ATOM 1428 C VAL A 104 9.100 4.990 6.136 1.00 0.00 C ATOM 1429 O VAL A 104 10.081 5.018 5.394 1.00 0.00 O ATOM 1430 CB VAL A 104 7.810 7.190 5.745 1.00 0.00 C ATOM 1431 CG1 VAL A 104 7.126 7.816 4.524 1.00 0.00 C ATOM 1432 CG2 VAL A 104 7.213 7.716 7.058 1.00 0.00 C ATOM 0 H VAL A 104 6.261 5.134 6.933 1.00 0.00 H new ATOM 0 HA VAL A 104 7.873 5.387 4.541 1.00 0.00 H new ATOM 0 HB VAL A 104 8.856 7.494 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.129 8.902 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.665 7.532 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.098 7.460 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.265 8.805 7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.172 7.401 7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.778 7.316 7.900 1.00 0.00 H new ATOM 1442 N PRO A 105 9.174 4.446 7.368 1.00 0.00 N ATOM 1443 CA PRO A 105 10.376 3.745 7.835 1.00 0.00 C ATOM 1444 C PRO A 105 10.419 2.345 7.227 1.00 0.00 C ATOM 1445 O PRO A 105 9.778 1.393 7.673 1.00 0.00 O ATOM 1446 CB PRO A 105 10.294 3.735 9.364 1.00 0.00 C ATOM 1447 CG PRO A 105 8.795 3.758 9.641 1.00 0.00 C ATOM 1448 CD PRO A 105 8.221 4.590 8.486 1.00 0.00 C ATOM 0 HA PRO A 105 11.300 4.233 7.526 1.00 0.00 H new ATOM 0 HB2 PRO A 105 10.766 2.848 9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.796 4.600 9.798 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.376 2.752 9.656 1.00 0.00 H new ATOM 0 HG3 PRO A 105 8.574 4.210 10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.231 4.233 8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.113 5.636 8.774 1.00 0.00 H new ATOM 1456 N LYS A 106 11.205 2.296 6.172 1.00 0.00 N ATOM 1457 CA LYS A 106 11.367 1.116 5.319 1.00 0.00 C ATOM 1458 C LYS A 106 11.501 -0.211 6.089 1.00 0.00 C ATOM 1459 O LYS A 106 10.668 -1.102 5.914 1.00 0.00 O ATOM 1460 CB LYS A 106 12.574 1.361 4.426 1.00 0.00 C ATOM 1461 CG LYS A 106 12.417 0.397 3.273 1.00 0.00 C ATOM 1462 CD LYS A 106 13.538 0.698 2.313 1.00 0.00 C ATOM 1463 CE LYS A 106 13.494 -0.323 1.202 1.00 0.00 C ATOM 1464 NZ LYS A 106 14.879 -0.261 0.777 1.00 0.00 N ATOM 0 H LYS A 106 11.767 3.091 5.868 1.00 0.00 H new ATOM 0 HA LYS A 106 10.456 0.992 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.601 2.393 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.505 1.182 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.469 -0.635 3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.448 0.523 2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.432 1.705 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 106 14.499 0.660 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.206 -1.314 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.798 -0.051 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 15.001 -0.820 -0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 15.142 0.728 0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 15.489 -0.647 1.525 1.00 0.00 H new ATOM 1478 N SER A 107 12.353 -0.192 7.096 1.00 0.00 N ATOM 1479 CA SER A 107 12.618 -1.362 7.968 1.00 0.00 C ATOM 1480 C SER A 107 11.391 -1.938 8.665 1.00 0.00 C ATOM 1481 O SER A 107 11.178 -3.145 8.632 1.00 0.00 O ATOM 1482 CB SER A 107 13.672 -0.955 9.002 1.00 0.00 C ATOM 1483 OG SER A 107 13.290 0.300 9.609 1.00 0.00 O ATOM 0 H SER A 107 12.895 0.635 7.349 1.00 0.00 H new ATOM 0 HA SER A 107 12.969 -2.166 7.321 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.765 -1.727 9.766 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.647 -0.859 8.525 1.00 0.00 H new ATOM 0 HG SER A 107 13.963 0.561 10.272 1.00 0.00 H new ATOM 1489 N THR A 108 10.543 -1.073 9.210 1.00 0.00 N ATOM 1490 CA THR A 108 9.275 -1.436 9.875 1.00 0.00 C ATOM 1491 C THR A 108 8.254 -2.118 8.955 1.00 0.00 C ATOM 1492 O THR A 108 7.533 -3.025 9.361 1.00 0.00 O ATOM 1493 CB THR A 108 8.686 -0.154 10.474 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.716 0.515 11.214 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.446 -0.397 11.345 1.00 0.00 C ATOM 0 H THR A 108 10.714 -0.068 9.207 1.00 0.00 H new ATOM 0 HA THR A 108 9.498 -2.178 10.642 1.00 0.00 H new ATOM 0 HB THR A 108 8.337 0.472 9.653 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.356 1.339 11.603 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.083 0.554 11.735 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.665 -0.864 10.745 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.707 -1.054 12.175 1.00 0.00 H new ATOM 1503 N LEU A 109 8.155 -1.556 7.764 1.00 0.00 N ATOM 1504 CA LEU A 109 7.344 -2.094 6.657 1.00 0.00 C ATOM 1505 C LEU A 109 7.821 -3.485 6.224 1.00 0.00 C ATOM 1506 O LEU A 109 7.009 -4.394 6.145 1.00 0.00 O ATOM 1507 CB LEU A 109 7.353 -1.151 5.455 1.00 0.00 C ATOM 1508 CG LEU A 109 6.366 -0.023 5.717 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.009 1.206 6.358 1.00 0.00 C ATOM 1510 CD2 LEU A 109 5.755 0.401 4.387 1.00 0.00 C ATOM 0 H LEU A 109 8.642 -0.693 7.522 1.00 0.00 H new ATOM 0 HA LEU A 109 6.324 -2.182 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.354 -0.749 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.079 -1.691 4.548 1.00 0.00 H new ATOM 0 HG LEU A 109 5.620 -0.404 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.250 1.972 6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.451 0.928 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.785 1.596 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.044 1.210 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.544 0.744 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.240 -0.447 3.936 1.00 0.00 H new ATOM 1522 N THR A 110 9.137 -3.660 6.185 1.00 0.00 N ATOM 1523 CA THR A 110 9.745 -4.969 5.869 1.00 0.00 C ATOM 1524 C THR A 110 9.459 -5.998 6.978 1.00 0.00 C ATOM 1525 O THR A 110 8.896 -7.074 6.759 1.00 0.00 O ATOM 1526 CB THR A 110 11.238 -4.891 5.554 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.470 -3.832 4.624 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.643 -6.223 4.907 1.00 0.00 C ATOM 0 H THR A 110 9.813 -2.918 6.367 1.00 0.00 H new ATOM 0 HA THR A 110 9.266 -5.308 4.951 1.00 0.00 H new ATOM 0 HB THR A 110 11.814 -4.706 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.307 -2.971 5.062 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.706 -6.203 4.668 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.442 -7.040 5.600 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.068 -6.373 3.993 1.00 0.00 H new ATOM 1536 N ASP A 111 9.734 -5.535 8.190 1.00 0.00 N ATOM 1537 CA ASP A 111 9.407 -6.215 9.460 1.00 0.00 C ATOM 1538 C ASP A 111 7.952 -6.708 9.483 1.00 0.00 C ATOM 1539 O ASP A 111 7.688 -7.881 9.755 1.00 0.00 O ATOM 1540 CB ASP A 111 9.621 -5.135 10.534 1.00 0.00 C ATOM 1541 CG ASP A 111 9.490 -5.563 11.999 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.630 -4.645 12.844 1.00 0.00 O ATOM 1543 OD2 ASP A 111 9.231 -6.755 12.261 1.00 0.00 O ATOM 0 H ASP A 111 10.208 -4.643 8.333 1.00 0.00 H new ATOM 0 HA ASP A 111 10.024 -7.100 9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.616 -4.713 10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.906 -4.333 10.352 1.00 0.00 H new ATOM 1549 N SER A 112 7.071 -5.854 8.972 1.00 0.00 N ATOM 1550 CA SER A 112 5.628 -6.103 8.903 1.00 0.00 C ATOM 1551 C SER A 112 5.134 -7.272 8.072 1.00 0.00 C ATOM 1552 O SER A 112 4.240 -7.974 8.539 1.00 0.00 O ATOM 1553 CB SER A 112 4.859 -4.824 8.560 1.00 0.00 C ATOM 1554 OG SER A 112 4.951 -3.920 9.664 1.00 0.00 O ATOM 0 H SER A 112 7.342 -4.950 8.585 1.00 0.00 H new ATOM 0 HA SER A 112 5.409 -6.432 9.919 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.272 -4.365 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.815 -5.057 8.349 1.00 0.00 H new ATOM 0 HG SER A 112 5.821 -3.469 9.646 1.00 0.00 H new ATOM 1560 N ILE A 113 5.808 -7.588 6.968 1.00 0.00 N ATOM 1561 CA ILE A 113 5.429 -8.791 6.178 1.00 0.00 C ATOM 1562 C ILE A 113 5.855 -10.062 6.903 1.00 0.00 C ATOM 1563 O ILE A 113 5.045 -10.889 7.306 1.00 0.00 O ATOM 1564 CB ILE A 113 6.038 -9.026 4.792 1.00 0.00 C ATOM 1565 CG1 ILE A 113 7.207 -8.132 4.392 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.952 -9.188 3.750 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.840 -6.685 4.141 1.00 0.00 C ATOM 0 H ILE A 113 6.596 -7.057 6.597 1.00 0.00 H new ATOM 0 HA ILE A 113 4.365 -8.586 6.062 1.00 0.00 H new ATOM 0 HB ILE A 113 6.563 -9.979 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.961 -8.170 5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.665 -8.538 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.407 -9.354 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.325 -10.041 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.341 -8.286 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.733 -6.126 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.111 -6.630 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.411 -6.256 5.047 1.00 0.00 H new ATOM 1579 N GLU A 114 7.159 -10.062 7.171 1.00 0.00 N ATOM 1580 CA GLU A 114 7.935 -11.200 7.678 1.00 0.00 C ATOM 1581 C GLU A 114 7.415 -11.760 9.017 1.00 0.00 C ATOM 1582 O GLU A 114 7.651 -12.908 9.381 1.00 0.00 O ATOM 1583 CB GLU A 114 9.410 -10.790 7.784 1.00 0.00 C ATOM 1584 CG GLU A 114 9.884 -10.273 6.421 1.00 0.00 C ATOM 1585 CD GLU A 114 11.352 -9.847 6.484 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.181 -10.608 5.920 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.617 -8.793 7.108 1.00 0.00 O ATOM 0 H GLU A 114 7.734 -9.231 7.035 1.00 0.00 H new ATOM 0 HA GLU A 114 7.821 -12.017 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.532 -10.017 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.016 -11.641 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.758 -11.051 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.268 -9.428 6.113 1.00 0.00 H new ATOM 1595 N LYS A 115 6.777 -10.847 9.738 1.00 0.00 N ATOM 1596 CA LYS A 115 5.972 -11.030 10.954 1.00 0.00 C ATOM 1597 C LYS A 115 5.005 -12.234 10.834 1.00 0.00 C ATOM 1598 O LYS A 115 5.045 -13.158 11.648 1.00 0.00 O ATOM 1599 CB LYS A 115 5.239 -9.695 11.022 1.00 0.00 C ATOM 1600 CG LYS A 115 4.471 -9.456 12.321 1.00 0.00 C ATOM 1601 CD LYS A 115 3.873 -8.040 12.370 1.00 0.00 C ATOM 1602 CE LYS A 115 4.936 -6.938 12.500 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.602 -6.990 13.808 1.00 0.00 N ATOM 0 H LYS A 115 6.809 -9.864 9.466 1.00 0.00 H new ATOM 0 HA LYS A 115 6.551 -11.262 11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 115 5.963 -8.891 10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.541 -9.636 10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 115 3.673 -10.193 12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.138 -9.600 13.171 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.289 -7.868 11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.184 -7.972 13.212 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.677 -7.049 11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.469 -5.962 12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.188 -6.140 13.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.886 -7.031 14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.204 -7.836 13.857 1.00 0.00 H new ATOM 1617 N TYR A 116 4.212 -12.194 9.778 1.00 0.00 N ATOM 1618 CA TYR A 116 3.200 -13.199 9.411 1.00 0.00 C ATOM 1619 C TYR A 116 3.598 -14.103 8.231 1.00 0.00 C ATOM 1620 O TYR A 116 3.247 -15.285 8.193 1.00 0.00 O ATOM 1621 CB TYR A 116 1.870 -12.487 9.123 1.00 0.00 C ATOM 1622 CG TYR A 116 1.920 -11.486 7.972 1.00 0.00 C ATOM 1623 CD1 TYR A 116 1.510 -11.932 6.693 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.117 -10.112 8.245 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.266 -10.985 5.681 1.00 0.00 C ATOM 1626 CE2 TYR A 116 1.872 -9.165 7.233 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.443 -9.622 5.964 1.00 0.00 C ATOM 1628 OH TYR A 116 1.094 -8.719 5.019 1.00 0.00 O ATOM 0 H TYR A 116 4.250 -11.423 9.111 1.00 0.00 H new ATOM 0 HA TYR A 116 3.104 -13.873 10.262 1.00 0.00 H new ATOM 0 HB2 TYR A 116 1.112 -13.238 8.901 1.00 0.00 H new ATOM 0 HB3 TYR A 116 1.549 -11.967 10.025 1.00 0.00 H new ATOM 0 HD1 TYR A 116 1.386 -12.987 6.496 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.452 -9.793 9.221 1.00 0.00 H new ATOM 0 HE1 TYR A 116 0.947 -11.303 4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.009 -8.110 7.421 1.00 0.00 H new ATOM 0 HH TYR A 116 0.232 -8.972 4.627 1.00 0.00 H new ATOM 1638 N LEU A 117 4.291 -13.516 7.255 1.00 0.00 N ATOM 1639 CA LEU A 117 4.859 -14.219 6.084 1.00 0.00 C ATOM 1640 C LEU A 117 6.201 -14.788 6.566 1.00 0.00 C ATOM 1641 O LEU A 117 7.282 -14.217 6.465 1.00 0.00 O ATOM 1642 CB LEU A 117 4.976 -13.181 4.961 1.00 0.00 C ATOM 1643 CG LEU A 117 5.476 -13.644 3.583 1.00 0.00 C ATOM 1644 CD1 LEU A 117 7.008 -13.652 3.496 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.845 -14.961 3.100 1.00 0.00 C ATOM 0 H LEU A 117 4.483 -12.514 7.248 1.00 0.00 H new ATOM 0 HA LEU A 117 4.262 -15.042 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.993 -12.730 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.643 -12.392 5.308 1.00 0.00 H new ATOM 0 HG LEU A 117 5.123 -12.892 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.314 -13.986 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.388 -12.646 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.412 -14.330 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.249 -15.220 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.074 -15.756 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.764 -14.841 3.027 1.00 0.00 H new