USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 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 85 GLN : amide:sc= 0.504 K(o=0.96,f=0.0065) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0149) USER MOD Set 1.3: A 103 THR OG1 : rot 180:sc= 0.457 USER MOD Set 2.1: A 71 ASN : amide:sc= -0.107 K(o=-0.44,f=-0.95) USER MOD Set 2.2: A 73 MET CE :methyl -106:sc= -0.336 (180deg=-0.0373) USER MOD Set 3.1: A 65 ASN : amide:sc= 0.605 K(o=-0.39,f=-0.89) USER MOD Set 3.2: A 88 TYR OH : rot -105:sc= -0.996 USER MOD Single : A 1 GLN :FLIP amide:sc= 0.435 F(o=-4.1!,f=0.44) USER MOD Single : A 1 GLN N :NH3+ 167:sc= 0.653 (180deg=0.505) USER MOD Single : A 3 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.82) USER MOD Single : A 14 THR OG1 : rot -29:sc= 0.909 USER MOD Single : A 15 GLN : amide:sc= -6.39! C(o=-6.4!,f=-13!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.43 K(o=0.43,f=-0.86) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.275 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0658 F(o=-1.5!,f=-0.066) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 170:sc= -0.0741 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -1.89! C(o=-3.3!,f=-1.9!) USER MOD Single : A 84 SER OG : rot 0:sc= 0.58 USER MOD Single : A 89 SER OG : rot -7:sc= 0.00615 USER MOD Single : A 91 THR OG1 : rot 8:sc= 0.228! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 60:sc= -3.95! USER MOD Single : A 99 SER OG : rot 180:sc= 0.00848 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -54:sc= 0.589 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 115 GLN : amide:sc= -4.16! C(o=-4.2!,f=-5!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 24.626 -7.002 -16.239 1.00 0.00 N ATOM 2 CA GLN A 1 24.105 -8.231 -16.804 1.00 0.00 C ATOM 3 C GLN A 1 22.560 -8.270 -16.840 1.00 0.00 C ATOM 4 O GLN A 1 21.960 -8.258 -17.904 1.00 0.00 O ATOM 5 CB GLN A 1 24.659 -9.418 -16.027 1.00 0.00 C ATOM 6 CG GLN A 1 26.182 -9.520 -16.086 1.00 0.00 C ATOM 7 CD GLN A 1 26.847 -8.848 -14.908 1.00 0.00 C ATOM 8 OE1 GLN A 1 27.041 -7.556 -15.007 1.00 0.00 O flip ATOM 9 NE2 GLN A 1 27.101 -9.469 -13.898 1.00 0.00 N flip ATOM 0 H1 GLN A 1 25.640 -7.115 -16.036 1.00 0.00 H new ATOM 0 H2 GLN A 1 24.493 -6.225 -16.917 1.00 0.00 H new ATOM 0 H3 GLN A 1 24.119 -6.783 -15.358 1.00 0.00 H new ATOM 0 HA GLN A 1 24.432 -8.282 -17.842 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.347 -9.339 -14.986 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.225 -10.337 -16.421 1.00 0.00 H new ATOM 0 HG2 GLN A 1 26.473 -10.570 -16.114 1.00 0.00 H new ATOM 0 HG3 GLN A 1 26.539 -9.065 -17.010 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.935 -10.475 -13.862 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.481 -8.986 -13.084 1.00 0.00 H new ATOM 18 N CYS A 2 21.937 -8.284 -15.670 1.00 0.00 N ATOM 19 CA CYS A 2 20.467 -8.329 -15.548 1.00 0.00 C ATOM 20 C CYS A 2 19.833 -7.001 -15.949 1.00 0.00 C ATOM 21 O CYS A 2 18.660 -6.949 -16.248 1.00 0.00 O ATOM 22 CB CYS A 2 20.025 -8.788 -14.159 1.00 0.00 C ATOM 23 SG CYS A 2 20.835 -10.346 -13.664 1.00 0.00 S ATOM 0 H CYS A 2 22.425 -8.265 -14.775 1.00 0.00 H new ATOM 0 HA CYS A 2 20.104 -9.079 -16.251 1.00 0.00 H new ATOM 0 HB2 CYS A 2 20.257 -8.012 -13.430 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.943 -8.923 -14.149 1.00 0.00 H new ATOM 28 N ASN A 3 20.634 -5.911 -15.875 1.00 0.00 N ATOM 29 CA ASN A 3 20.198 -4.549 -16.278 1.00 0.00 C ATOM 30 C ASN A 3 18.955 -4.076 -15.517 1.00 0.00 C ATOM 31 O ASN A 3 18.038 -3.499 -16.106 1.00 0.00 O ATOM 32 CB ASN A 3 20.043 -4.393 -17.844 1.00 0.00 C ATOM 33 CG ASN A 3 18.895 -5.162 -18.501 1.00 0.00 C ATOM 34 OD1 ASN A 3 17.776 -4.661 -18.648 1.00 0.00 O ATOM 35 ND2 ASN A 3 19.163 -6.378 -18.911 1.00 0.00 N ATOM 0 H ASN A 3 21.595 -5.949 -15.536 1.00 0.00 H new ATOM 0 HA ASN A 3 21.007 -3.880 -15.986 1.00 0.00 H new ATOM 0 HB2 ASN A 3 19.916 -3.334 -18.070 1.00 0.00 H new ATOM 0 HB3 ASN A 3 20.976 -4.709 -18.311 1.00 0.00 H new ATOM 0 HD21 ASN A 3 18.438 -6.935 -19.364 1.00 0.00 H new ATOM 0 HD22 ASN A 3 20.096 -6.767 -18.777 1.00 0.00 H new ATOM 42 N ALA A 4 18.949 -4.368 -14.192 1.00 0.00 N ATOM 43 CA ALA A 4 17.901 -3.928 -13.235 1.00 0.00 C ATOM 44 C ALA A 4 16.738 -4.907 -13.097 1.00 0.00 C ATOM 45 O ALA A 4 16.082 -5.261 -14.078 1.00 0.00 O ATOM 46 CB ALA A 4 17.404 -2.556 -13.552 1.00 0.00 C ATOM 0 H ALA A 4 19.682 -4.924 -13.752 1.00 0.00 H new ATOM 0 HA ALA A 4 18.395 -3.904 -12.264 1.00 0.00 H new ATOM 0 HB1 ALA A 4 16.639 -2.270 -12.830 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.232 -1.849 -13.503 1.00 0.00 H new ATOM 0 HB3 ALA A 4 16.978 -2.546 -14.555 1.00 0.00 H new ATOM 52 N PRO A 5 16.511 -5.425 -11.847 1.00 0.00 N ATOM 53 CA PRO A 5 15.470 -6.420 -11.618 1.00 0.00 C ATOM 54 C PRO A 5 14.088 -5.899 -11.922 1.00 0.00 C ATOM 55 O PRO A 5 13.387 -6.399 -12.819 1.00 0.00 O ATOM 56 CB PRO A 5 15.504 -6.656 -10.114 1.00 0.00 C ATOM 57 CG PRO A 5 16.761 -6.063 -9.615 1.00 0.00 C ATOM 58 CD PRO A 5 17.218 -5.053 -10.626 1.00 0.00 C ATOM 0 HA PRO A 5 15.650 -7.292 -12.246 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.642 -6.196 -9.631 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.464 -7.722 -9.889 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.603 -5.590 -8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 5 17.519 -6.834 -9.474 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.970 -4.038 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 5 18.299 -5.089 -10.765 1.00 0.00 H new ATOM 66 N GLU A 6 13.776 -4.806 -11.229 1.00 0.00 N ATOM 67 CA GLU A 6 12.504 -4.134 -11.262 1.00 0.00 C ATOM 68 C GLU A 6 12.349 -3.347 -9.979 1.00 0.00 C ATOM 69 O GLU A 6 13.179 -3.478 -9.073 1.00 0.00 O ATOM 70 CB GLU A 6 11.312 -5.136 -11.483 1.00 0.00 C ATOM 71 CG GLU A 6 11.071 -6.157 -10.346 1.00 0.00 C ATOM 72 CD GLU A 6 9.967 -7.146 -10.679 1.00 0.00 C ATOM 73 OE1 GLU A 6 8.817 -6.723 -10.957 1.00 0.00 O ATOM 74 OE2 GLU A 6 10.253 -8.360 -10.681 1.00 0.00 O ATOM 0 H GLU A 6 14.443 -4.353 -10.604 1.00 0.00 H new ATOM 0 HA GLU A 6 12.476 -3.454 -12.113 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.399 -4.559 -11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.491 -5.685 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.995 -6.701 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.813 -5.624 -9.431 1.00 0.00 H new ATOM 81 N TRP A 7 11.312 -2.538 -9.882 1.00 0.00 N ATOM 82 CA TRP A 7 11.088 -1.769 -8.667 1.00 0.00 C ATOM 83 C TRP A 7 9.947 -2.358 -7.873 1.00 0.00 C ATOM 84 O TRP A 7 8.879 -2.619 -8.411 1.00 0.00 O ATOM 85 CB TRP A 7 10.821 -0.286 -9.002 1.00 0.00 C ATOM 86 CG TRP A 7 10.358 0.516 -7.808 1.00 0.00 C ATOM 87 CD1 TRP A 7 11.090 0.886 -6.711 1.00 0.00 C ATOM 88 CD2 TRP A 7 9.045 1.088 -7.626 1.00 0.00 C ATOM 89 NE1 TRP A 7 10.295 1.607 -5.844 1.00 0.00 N ATOM 90 CE2 TRP A 7 9.046 1.749 -6.392 1.00 0.00 C ATOM 91 CE3 TRP A 7 7.864 1.091 -8.397 1.00 0.00 C ATOM 92 CZ2 TRP A 7 7.922 2.417 -5.897 1.00 0.00 C ATOM 93 CZ3 TRP A 7 6.761 1.752 -7.914 1.00 0.00 C ATOM 94 CH2 TRP A 7 6.786 2.414 -6.672 1.00 0.00 C ATOM 0 H TRP A 7 10.619 -2.395 -10.616 1.00 0.00 H new ATOM 0 HA TRP A 7 11.989 -1.818 -8.055 1.00 0.00 H new ATOM 0 HB2 TRP A 7 11.732 0.160 -9.401 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.067 -0.227 -9.787 1.00 0.00 H new ATOM 0 HD1 TRP A 7 12.131 0.649 -6.549 1.00 0.00 H new ATOM 0 HE1 TRP A 7 10.589 1.976 -4.940 1.00 0.00 H new ATOM 0 HE3 TRP A 7 7.828 0.583 -9.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.945 2.917 -4.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.854 1.764 -8.500 1.00 0.00 H new ATOM 0 HH2 TRP A 7 5.901 2.926 -6.323 1.00 0.00 H new ATOM 105 N LEU A 8 10.177 -2.546 -6.583 1.00 0.00 N ATOM 106 CA LEU A 8 9.174 -3.108 -5.725 1.00 0.00 C ATOM 107 C LEU A 8 8.796 -2.116 -4.629 1.00 0.00 C ATOM 108 O LEU A 8 9.579 -1.879 -3.707 1.00 0.00 O ATOM 109 CB LEU A 8 9.675 -4.408 -5.134 1.00 0.00 C ATOM 110 CG LEU A 8 8.598 -5.333 -4.619 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.607 -5.619 -5.728 1.00 0.00 C ATOM 112 CD2 LEU A 8 9.196 -6.627 -4.128 1.00 0.00 C ATOM 0 H LEU A 8 11.054 -2.314 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 8 8.278 -3.317 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.253 -4.935 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.357 -4.178 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 8 8.090 -4.848 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.829 -6.287 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.155 -4.685 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.123 -6.092 -6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.403 -7.278 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.720 -7.119 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.898 -6.420 -3.320 1.00 0.00 H new ATOM 124 N PRO A 9 7.599 -1.514 -4.726 1.00 0.00 N ATOM 125 CA PRO A 9 7.142 -0.517 -3.742 1.00 0.00 C ATOM 126 C PRO A 9 7.014 -1.093 -2.331 1.00 0.00 C ATOM 127 O PRO A 9 7.103 -0.359 -1.341 1.00 0.00 O ATOM 128 CB PRO A 9 5.718 -0.146 -4.220 1.00 0.00 C ATOM 129 CG PRO A 9 5.392 -1.023 -5.389 1.00 0.00 C ATOM 130 CD PRO A 9 6.663 -1.692 -5.847 1.00 0.00 C ATOM 0 HA PRO A 9 7.848 0.311 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.994 -0.292 -3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.671 0.905 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.650 -1.770 -5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.961 -0.433 -6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.500 -2.748 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.045 -1.235 -6.760 1.00 0.00 H new ATOM 138 N PHE A 10 6.756 -2.397 -2.262 1.00 0.00 N ATOM 139 CA PHE A 10 6.542 -3.096 -0.988 1.00 0.00 C ATOM 140 C PHE A 10 7.821 -3.101 -0.177 1.00 0.00 C ATOM 141 O PHE A 10 7.839 -2.917 1.041 1.00 0.00 O ATOM 142 CB PHE A 10 6.238 -4.567 -1.225 1.00 0.00 C ATOM 143 CG PHE A 10 5.303 -4.862 -2.333 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.290 -3.988 -2.738 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.497 -6.034 -3.046 1.00 0.00 C ATOM 146 CE1 PHE A 10 3.494 -4.308 -3.822 1.00 0.00 C ATOM 147 CE2 PHE A 10 4.713 -6.350 -4.127 1.00 0.00 C ATOM 148 CZ PHE A 10 3.707 -5.488 -4.515 1.00 0.00 C ATOM 0 H PHE A 10 6.689 -3.001 -3.081 1.00 0.00 H new ATOM 0 HA PHE A 10 5.723 -2.583 -0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.177 -5.086 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.827 -4.986 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.129 -3.063 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.281 -6.713 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.705 -3.637 -4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.882 -7.268 -4.671 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.084 -5.735 -5.362 1.00 0.00 H new ATOM 158 N ALA A 11 8.915 -3.329 -0.918 1.00 0.00 N ATOM 159 CA ALA A 11 10.202 -3.770 -0.364 1.00 0.00 C ATOM 160 C ALA A 11 11.343 -2.781 -0.547 1.00 0.00 C ATOM 161 O ALA A 11 11.331 -1.950 -1.449 1.00 0.00 O ATOM 162 CB ALA A 11 10.563 -5.091 -1.020 1.00 0.00 C ATOM 0 H ALA A 11 8.930 -3.211 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 11 10.072 -3.863 0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.517 -5.444 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.788 -5.827 -0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.644 -4.952 -2.098 1.00 0.00 H new ATOM 168 N ARG A 12 12.307 -2.862 0.353 1.00 0.00 N ATOM 169 CA ARG A 12 13.516 -2.021 0.293 1.00 0.00 C ATOM 170 C ARG A 12 14.765 -2.902 0.163 1.00 0.00 C ATOM 171 O ARG A 12 15.372 -3.267 1.164 1.00 0.00 O ATOM 172 CB ARG A 12 13.645 -1.175 1.559 1.00 0.00 C ATOM 173 CG ARG A 12 12.372 -0.507 1.979 1.00 0.00 C ATOM 174 CD ARG A 12 11.887 0.492 0.947 1.00 0.00 C ATOM 175 NE ARG A 12 10.551 0.956 1.258 1.00 0.00 N ATOM 176 CZ ARG A 12 9.506 0.804 0.457 1.00 0.00 C ATOM 177 NH1 ARG A 12 9.649 0.279 -0.753 1.00 0.00 N ATOM 178 NH2 ARG A 12 8.312 1.203 0.867 1.00 0.00 N ATOM 0 H ARG A 12 12.286 -3.504 1.145 1.00 0.00 H new ATOM 0 HA ARG A 12 13.429 -1.367 -0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.996 -1.809 2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.407 -0.413 1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.603 -1.262 2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.526 0.001 2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.570 1.340 0.909 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.895 0.032 -0.041 1.00 0.00 H new ATOM 0 HE ARG A 12 10.405 1.430 2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.571 -0.013 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.837 0.167 -1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.204 1.622 1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.500 1.091 0.259 1.00 0.00 H new ATOM 192 N PRO A 13 15.117 -3.313 -1.055 1.00 0.00 N ATOM 193 CA PRO A 13 16.277 -4.178 -1.279 1.00 0.00 C ATOM 194 C PRO A 13 17.554 -3.460 -0.853 1.00 0.00 C ATOM 195 O PRO A 13 17.686 -2.264 -1.044 1.00 0.00 O ATOM 196 CB PRO A 13 16.282 -4.447 -2.781 1.00 0.00 C ATOM 197 CG PRO A 13 14.944 -3.990 -3.259 1.00 0.00 C ATOM 198 CD PRO A 13 14.482 -2.919 -2.302 1.00 0.00 C ATOM 0 HA PRO A 13 16.227 -5.102 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.086 -3.902 -3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.436 -5.505 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.009 -3.599 -4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.237 -4.820 -3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.798 -1.926 -2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.396 -2.895 -2.214 1.00 0.00 H new ATOM 206 N THR A 14 18.498 -4.179 -0.328 1.00 0.00 N ATOM 207 CA THR A 14 19.706 -3.552 0.176 1.00 0.00 C ATOM 208 C THR A 14 20.850 -3.600 -0.848 1.00 0.00 C ATOM 209 O THR A 14 21.953 -3.153 -0.560 1.00 0.00 O ATOM 210 CB THR A 14 20.161 -4.167 1.552 1.00 0.00 C ATOM 211 OG1 THR A 14 21.356 -3.532 2.030 1.00 0.00 O ATOM 212 CG2 THR A 14 20.414 -5.663 1.438 1.00 0.00 C ATOM 0 H THR A 14 18.467 -5.194 -0.232 1.00 0.00 H new ATOM 0 HA THR A 14 19.459 -2.504 0.348 1.00 0.00 H new ATOM 0 HB THR A 14 19.348 -3.995 2.257 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.884 -3.213 1.268 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.726 -6.054 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.499 -6.164 1.123 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.198 -5.844 0.703 1.00 0.00 H new ATOM 220 N GLN A 15 20.596 -4.189 -2.023 1.00 0.00 N ATOM 221 CA GLN A 15 21.653 -4.364 -3.036 1.00 0.00 C ATOM 222 C GLN A 15 21.352 -3.616 -4.317 1.00 0.00 C ATOM 223 O GLN A 15 22.179 -3.505 -5.162 1.00 0.00 O ATOM 224 CB GLN A 15 21.781 -5.832 -3.355 1.00 0.00 C ATOM 225 CG GLN A 15 21.642 -6.709 -2.163 1.00 0.00 C ATOM 226 CD GLN A 15 20.513 -7.599 -2.379 1.00 0.00 C ATOM 227 OE1 GLN A 15 20.648 -8.689 -2.867 1.00 0.00 O ATOM 228 NE2 GLN A 15 19.344 -7.086 -2.078 1.00 0.00 N ATOM 0 H GLN A 15 19.682 -4.549 -2.297 1.00 0.00 H new ATOM 0 HA GLN A 15 22.578 -3.962 -2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.022 -6.105 -4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.751 -6.012 -3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.554 -7.284 -2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.486 -6.109 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.287 -6.155 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.492 -7.618 -2.257 1.00 0.00 H new ATOM 237 N LEU A 16 20.123 -3.188 -4.466 1.00 0.00 N ATOM 238 CA LEU A 16 19.642 -2.542 -5.695 1.00 0.00 C ATOM 239 C LEU A 16 19.634 -1.024 -5.626 1.00 0.00 C ATOM 240 O LEU A 16 19.318 -0.359 -6.600 1.00 0.00 O ATOM 241 CB LEU A 16 18.217 -3.108 -6.036 1.00 0.00 C ATOM 242 CG LEU A 16 17.181 -2.153 -6.697 1.00 0.00 C ATOM 243 CD1 LEU A 16 16.094 -2.962 -7.389 1.00 0.00 C ATOM 244 CD2 LEU A 16 16.557 -1.274 -5.608 1.00 0.00 C ATOM 0 H LEU A 16 19.411 -3.272 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 16 20.345 -2.781 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.349 -3.964 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.779 -3.484 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 16 17.679 -1.529 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.374 -2.285 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.542 -3.591 -8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.586 -3.590 -6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.829 -0.599 -6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.060 -1.905 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.338 -0.691 -5.119 1.00 0.00 H new ATOM 256 N THR A 17 20.061 -0.489 -4.520 1.00 0.00 N ATOM 257 CA THR A 17 19.920 0.920 -4.306 1.00 0.00 C ATOM 258 C THR A 17 20.682 1.776 -5.327 1.00 0.00 C ATOM 259 O THR A 17 20.109 2.727 -5.887 1.00 0.00 O ATOM 260 CB THR A 17 20.292 1.306 -2.846 1.00 0.00 C ATOM 261 OG1 THR A 17 20.109 2.719 -2.616 1.00 0.00 O ATOM 262 CG2 THR A 17 21.710 0.890 -2.503 1.00 0.00 C ATOM 0 H THR A 17 20.506 -1.002 -3.759 1.00 0.00 H new ATOM 0 HA THR A 17 18.865 1.145 -4.463 1.00 0.00 H new ATOM 0 HB THR A 17 19.615 0.762 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 17 20.349 2.933 -1.690 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.935 1.176 -1.475 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.808 -0.190 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.408 1.385 -3.178 1.00 0.00 H new ATOM 270 N ASP A 18 21.945 1.484 -5.567 1.00 0.00 N ATOM 271 CA ASP A 18 22.673 2.238 -6.578 1.00 0.00 C ATOM 272 C ASP A 18 23.197 1.310 -7.639 1.00 0.00 C ATOM 273 O ASP A 18 23.866 1.725 -8.592 1.00 0.00 O ATOM 274 CB ASP A 18 23.814 3.072 -5.952 1.00 0.00 C ATOM 275 CG ASP A 18 24.991 2.261 -5.461 1.00 0.00 C ATOM 276 OD1 ASP A 18 25.695 1.629 -6.272 1.00 0.00 O ATOM 277 OD2 ASP A 18 25.228 2.266 -4.229 1.00 0.00 O ATOM 0 H ASP A 18 22.479 0.754 -5.095 1.00 0.00 H new ATOM 0 HA ASP A 18 21.981 2.940 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.168 3.791 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 18 23.411 3.645 -5.117 1.00 0.00 H new ATOM 282 N GLU A 19 22.863 0.070 -7.480 1.00 0.00 N ATOM 283 CA GLU A 19 23.403 -0.958 -8.291 1.00 0.00 C ATOM 284 C GLU A 19 22.502 -1.300 -9.466 1.00 0.00 C ATOM 285 O GLU A 19 22.787 -0.953 -10.593 1.00 0.00 O ATOM 286 CB GLU A 19 23.643 -2.208 -7.436 1.00 0.00 C ATOM 287 CG GLU A 19 24.724 -2.019 -6.375 1.00 0.00 C ATOM 288 CD GLU A 19 24.245 -1.345 -5.086 1.00 0.00 C ATOM 289 OE1 GLU A 19 23.083 -0.870 -5.045 1.00 0.00 O ATOM 290 OE2 GLU A 19 25.053 -1.260 -4.118 1.00 0.00 O ATOM 0 H GLU A 19 22.201 -0.255 -6.775 1.00 0.00 H new ATOM 0 HA GLU A 19 24.345 -0.596 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.710 -2.489 -6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 19 23.924 -3.036 -8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.143 -2.994 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 19 25.532 -1.424 -6.801 1.00 0.00 H new ATOM 297 N PHE A 20 21.375 -1.960 -9.157 1.00 0.00 N ATOM 298 CA PHE A 20 20.390 -2.413 -10.160 1.00 0.00 C ATOM 299 C PHE A 20 20.970 -3.503 -11.100 1.00 0.00 C ATOM 300 O PHE A 20 20.229 -4.238 -11.711 1.00 0.00 O ATOM 301 CB PHE A 20 19.905 -1.224 -11.013 1.00 0.00 C ATOM 302 CG PHE A 20 19.035 -0.243 -10.282 1.00 0.00 C ATOM 303 CD1 PHE A 20 17.642 -0.399 -10.264 1.00 0.00 C ATOM 304 CD2 PHE A 20 19.587 0.838 -9.637 1.00 0.00 C ATOM 305 CE1 PHE A 20 16.850 0.503 -9.604 1.00 0.00 C ATOM 306 CE2 PHE A 20 18.788 1.749 -8.977 1.00 0.00 C ATOM 307 CZ PHE A 20 17.418 1.576 -8.960 1.00 0.00 C ATOM 0 H PHE A 20 21.117 -2.197 -8.199 1.00 0.00 H new ATOM 0 HA PHE A 20 19.555 -2.845 -9.608 1.00 0.00 H new ATOM 0 HB2 PHE A 20 20.775 -0.696 -11.405 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.353 -1.610 -11.870 1.00 0.00 H new ATOM 0 HD1 PHE A 20 17.190 -1.237 -10.774 1.00 0.00 H new ATOM 0 HD2 PHE A 20 20.658 0.976 -9.647 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.778 0.371 -9.590 1.00 0.00 H new ATOM 0 HE2 PHE A 20 19.233 2.595 -8.475 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.792 2.285 -8.440 1.00 0.00 H new ATOM 317 N GLU A 21 22.269 -3.646 -11.127 1.00 0.00 N ATOM 318 CA GLU A 21 22.898 -4.553 -12.080 1.00 0.00 C ATOM 319 C GLU A 21 23.572 -5.725 -11.387 1.00 0.00 C ATOM 320 O GLU A 21 24.359 -5.552 -10.463 1.00 0.00 O ATOM 321 CB GLU A 21 23.905 -3.797 -12.899 1.00 0.00 C ATOM 322 CG GLU A 21 23.284 -2.757 -13.796 1.00 0.00 C ATOM 323 CD GLU A 21 24.300 -1.979 -14.580 1.00 0.00 C ATOM 324 OE1 GLU A 21 25.360 -1.653 -14.020 1.00 0.00 O ATOM 325 OE2 GLU A 21 24.038 -1.691 -15.756 1.00 0.00 O ATOM 0 H GLU A 21 22.916 -3.155 -10.510 1.00 0.00 H new ATOM 0 HA GLU A 21 22.118 -4.957 -12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 21 24.616 -3.312 -12.230 1.00 0.00 H new ATOM 0 HB3 GLU A 21 24.470 -4.502 -13.509 1.00 0.00 H new ATOM 0 HG2 GLU A 21 22.596 -3.244 -14.486 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.694 -2.068 -13.191 1.00 0.00 H new ATOM 332 N PHE A 22 23.241 -6.947 -11.841 1.00 0.00 N ATOM 333 CA PHE A 22 23.782 -8.172 -11.249 1.00 0.00 C ATOM 334 C PHE A 22 23.911 -9.273 -12.296 1.00 0.00 C ATOM 335 O PHE A 22 23.393 -9.136 -13.399 1.00 0.00 O ATOM 336 CB PHE A 22 22.848 -8.680 -10.144 1.00 0.00 C ATOM 337 CG PHE A 22 22.633 -7.688 -9.049 1.00 0.00 C ATOM 338 CD1 PHE A 22 23.537 -7.571 -8.014 1.00 0.00 C ATOM 339 CD2 PHE A 22 21.529 -6.845 -9.072 1.00 0.00 C ATOM 340 CE1 PHE A 22 23.353 -6.638 -7.014 1.00 0.00 C ATOM 341 CE2 PHE A 22 21.344 -5.915 -8.080 1.00 0.00 C ATOM 342 CZ PHE A 22 22.263 -5.813 -7.042 1.00 0.00 C ATOM 0 H PHE A 22 22.600 -7.107 -12.618 1.00 0.00 H new ATOM 0 HA PHE A 22 24.765 -7.934 -10.842 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.885 -8.940 -10.583 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.262 -9.595 -9.720 1.00 0.00 H new ATOM 0 HD1 PHE A 22 24.401 -8.219 -7.986 1.00 0.00 H new ATOM 0 HD2 PHE A 22 20.812 -6.922 -9.876 1.00 0.00 H new ATOM 0 HE1 PHE A 22 24.070 -6.560 -6.210 1.00 0.00 H new ATOM 0 HE2 PHE A 22 20.484 -5.262 -8.106 1.00 0.00 H new ATOM 0 HZ PHE A 22 22.116 -5.084 -6.259 1.00 0.00 H new ATOM 352 N PRO A 23 24.674 -10.344 -11.984 1.00 0.00 N ATOM 353 CA PRO A 23 24.780 -11.552 -12.827 1.00 0.00 C ATOM 354 C PRO A 23 23.466 -12.371 -12.852 1.00 0.00 C ATOM 355 O PRO A 23 22.719 -12.380 -11.883 1.00 0.00 O ATOM 356 CB PRO A 23 25.909 -12.368 -12.177 1.00 0.00 C ATOM 357 CG PRO A 23 26.561 -11.445 -11.200 1.00 0.00 C ATOM 358 CD PRO A 23 25.509 -10.463 -10.790 1.00 0.00 C ATOM 0 HA PRO A 23 24.978 -11.295 -13.868 1.00 0.00 H new ATOM 0 HB2 PRO A 23 25.515 -13.253 -11.677 1.00 0.00 H new ATOM 0 HB3 PRO A 23 26.622 -12.715 -12.925 1.00 0.00 H new ATOM 0 HG2 PRO A 23 26.939 -11.994 -10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.413 -10.937 -11.652 1.00 0.00 H new ATOM 0 HD2 PRO A 23 24.937 -10.821 -9.934 1.00 0.00 H new ATOM 0 HD3 PRO A 23 25.943 -9.504 -10.506 1.00 0.00 H new ATOM 366 N ILE A 24 23.229 -13.074 -13.950 1.00 0.00 N ATOM 367 CA ILE A 24 22.050 -13.952 -14.080 1.00 0.00 C ATOM 368 C ILE A 24 22.242 -15.182 -13.205 1.00 0.00 C ATOM 369 O ILE A 24 23.311 -15.794 -13.208 1.00 0.00 O ATOM 370 CB ILE A 24 21.787 -14.403 -15.558 1.00 0.00 C ATOM 371 CG1 ILE A 24 21.145 -13.272 -16.374 1.00 0.00 C ATOM 372 CG2 ILE A 24 20.866 -15.628 -15.587 1.00 0.00 C ATOM 373 CD1 ILE A 24 22.058 -12.089 -16.624 1.00 0.00 C ATOM 0 H ILE A 24 23.833 -13.061 -14.772 1.00 0.00 H new ATOM 0 HA ILE A 24 21.181 -13.377 -13.759 1.00 0.00 H new ATOM 0 HB ILE A 24 22.749 -14.658 -16.002 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.817 -13.673 -17.333 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.253 -12.924 -15.852 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.693 -15.929 -16.620 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.335 -16.449 -15.044 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.914 -15.379 -15.118 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.527 -11.336 -17.207 1.00 0.00 H new ATOM 0 HD12 ILE A 24 22.366 -11.659 -15.671 1.00 0.00 H new ATOM 0 HD13 ILE A 24 22.939 -12.419 -17.175 1.00 0.00 H new ATOM 385 N GLY A 25 21.230 -15.516 -12.412 1.00 0.00 N ATOM 386 CA GLY A 25 21.419 -16.585 -11.478 1.00 0.00 C ATOM 387 C GLY A 25 21.935 -16.059 -10.168 1.00 0.00 C ATOM 388 O GLY A 25 22.773 -16.680 -9.522 1.00 0.00 O ATOM 0 H GLY A 25 20.311 -15.074 -12.404 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.476 -17.108 -11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.121 -17.312 -11.886 1.00 0.00 H new ATOM 392 N THR A 26 21.412 -14.920 -9.759 1.00 0.00 N ATOM 393 CA THR A 26 21.823 -14.322 -8.532 1.00 0.00 C ATOM 394 C THR A 26 20.594 -14.088 -7.673 1.00 0.00 C ATOM 395 O THR A 26 19.485 -13.885 -8.171 1.00 0.00 O ATOM 396 CB THR A 26 22.504 -12.950 -8.799 1.00 0.00 C ATOM 397 OG1 THR A 26 23.283 -12.552 -7.663 1.00 0.00 O ATOM 398 CG2 THR A 26 21.474 -11.882 -9.080 1.00 0.00 C ATOM 0 H THR A 26 20.700 -14.399 -10.270 1.00 0.00 H new ATOM 0 HA THR A 26 22.531 -14.983 -8.032 1.00 0.00 H new ATOM 0 HB THR A 26 23.150 -13.065 -9.670 1.00 0.00 H new ATOM 0 HG1 THR A 26 23.708 -11.688 -7.844 1.00 0.00 H new ATOM 0 HG21 THR A 26 21.976 -10.932 -9.263 1.00 0.00 H new ATOM 0 HG22 THR A 26 20.892 -12.160 -9.958 1.00 0.00 H new ATOM 0 HG23 THR A 26 20.810 -11.782 -8.221 1.00 0.00 H new ATOM 406 N TYR A 27 20.812 -14.099 -6.408 1.00 0.00 N ATOM 407 CA TYR A 27 19.775 -13.896 -5.449 1.00 0.00 C ATOM 408 C TYR A 27 19.916 -12.559 -4.776 1.00 0.00 C ATOM 409 O TYR A 27 20.963 -12.186 -4.308 1.00 0.00 O ATOM 410 CB TYR A 27 19.799 -15.022 -4.423 1.00 0.00 C ATOM 411 CG TYR A 27 19.234 -16.347 -4.896 1.00 0.00 C ATOM 412 CD1 TYR A 27 19.841 -17.117 -5.895 1.00 0.00 C ATOM 413 CD2 TYR A 27 18.086 -16.869 -4.277 1.00 0.00 C ATOM 414 CE1 TYR A 27 19.314 -18.353 -6.268 1.00 0.00 C ATOM 415 CE2 TYR A 27 17.566 -18.093 -4.650 1.00 0.00 C ATOM 416 CZ TYR A 27 18.179 -18.831 -5.636 1.00 0.00 C ATOM 417 OH TYR A 27 17.638 -20.037 -5.993 1.00 0.00 O ATOM 0 H TYR A 27 21.733 -14.252 -5.997 1.00 0.00 H new ATOM 0 HA TYR A 27 18.815 -13.905 -5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.830 -15.179 -4.105 1.00 0.00 H new ATOM 0 HB3 TYR A 27 19.240 -14.701 -3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.731 -16.748 -6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.601 -16.303 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.788 -18.934 -7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.677 -18.471 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 27 16.845 -20.215 -5.445 1.00 0.00 H new ATOM 427 N LEU A 28 18.823 -11.861 -4.747 1.00 0.00 N ATOM 428 CA LEU A 28 18.723 -10.531 -4.115 1.00 0.00 C ATOM 429 C LEU A 28 17.856 -10.502 -2.905 1.00 0.00 C ATOM 430 O LEU A 28 16.840 -11.196 -2.824 1.00 0.00 O ATOM 431 CB LEU A 28 18.311 -9.411 -5.102 1.00 0.00 C ATOM 432 CG LEU A 28 19.416 -8.779 -5.949 1.00 0.00 C ATOM 433 CD1 LEU A 28 20.174 -9.803 -6.747 1.00 0.00 C ATOM 434 CD2 LEU A 28 18.802 -7.744 -6.873 1.00 0.00 C ATOM 0 H LEU A 28 17.948 -12.182 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 28 19.741 -10.324 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.559 -9.818 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.830 -8.618 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 28 20.131 -8.306 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.948 -9.308 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.635 -10.523 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.489 -10.322 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.584 -7.289 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.071 -8.225 -7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.309 -6.974 -6.280 1.00 0.00 H new ATOM 446 N ASN A 29 18.282 -9.679 -1.967 1.00 0.00 N ATOM 447 CA ASN A 29 17.610 -9.514 -0.712 1.00 0.00 C ATOM 448 C ASN A 29 16.605 -8.378 -0.800 1.00 0.00 C ATOM 449 O ASN A 29 16.952 -7.193 -0.794 1.00 0.00 O ATOM 450 CB ASN A 29 18.609 -9.162 0.389 1.00 0.00 C ATOM 451 CG ASN A 29 18.052 -9.438 1.797 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.308 -10.391 2.009 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.415 -8.594 2.760 1.00 0.00 N ATOM 0 H ASN A 29 19.117 -9.102 -2.066 1.00 0.00 H new ATOM 0 HA ASN A 29 17.108 -10.453 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.523 -9.737 0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.879 -8.109 0.308 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.073 -8.728 3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.035 -7.813 2.546 1.00 0.00 H new ATOM 460 N TYR A 30 15.383 -8.769 -0.895 1.00 0.00 N ATOM 461 CA TYR A 30 14.247 -7.898 -0.791 1.00 0.00 C ATOM 462 C TYR A 30 13.557 -8.093 0.505 1.00 0.00 C ATOM 463 O TYR A 30 13.234 -9.223 0.880 1.00 0.00 O ATOM 464 CB TYR A 30 13.282 -8.173 -1.945 1.00 0.00 C ATOM 465 CG TYR A 30 13.665 -7.549 -3.248 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.836 -7.872 -3.910 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.811 -6.635 -3.820 1.00 0.00 C ATOM 468 CE1 TYR A 30 15.148 -7.271 -5.119 1.00 0.00 C ATOM 469 CE2 TYR A 30 13.086 -6.038 -5.013 1.00 0.00 C ATOM 470 CZ TYR A 30 14.253 -6.347 -5.669 1.00 0.00 C ATOM 471 OH TYR A 30 14.539 -5.737 -6.849 1.00 0.00 O ATOM 0 H TYR A 30 15.128 -9.744 -1.054 1.00 0.00 H new ATOM 0 HA TYR A 30 14.591 -6.865 -0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.203 -9.251 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.292 -7.815 -1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.512 -8.598 -3.482 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.894 -6.383 -3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.069 -7.512 -5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.393 -5.328 -5.439 1.00 0.00 H new ATOM 0 HH TYR A 30 13.810 -5.126 -7.087 1.00 0.00 H new ATOM 481 N GLU A 31 13.300 -7.012 1.194 1.00 0.00 N ATOM 482 CA GLU A 31 12.622 -7.090 2.438 1.00 0.00 C ATOM 483 C GLU A 31 11.368 -6.238 2.403 1.00 0.00 C ATOM 484 O GLU A 31 11.423 -5.039 2.079 1.00 0.00 O ATOM 485 CB GLU A 31 13.548 -6.717 3.600 1.00 0.00 C ATOM 486 CG GLU A 31 14.669 -7.749 3.802 1.00 0.00 C ATOM 487 CD GLU A 31 15.653 -7.393 4.896 1.00 0.00 C ATOM 488 OE1 GLU A 31 15.450 -6.367 5.580 1.00 0.00 O ATOM 489 OE2 GLU A 31 16.660 -8.132 5.039 1.00 0.00 O ATOM 0 H GLU A 31 13.556 -6.068 0.903 1.00 0.00 H new ATOM 0 HA GLU A 31 12.316 -8.122 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.988 -5.737 3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.963 -6.634 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.220 -8.715 4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.212 -7.866 2.864 1.00 0.00 H new ATOM 496 N CYS A 32 10.253 -6.849 2.753 1.00 0.00 N ATOM 497 CA CYS A 32 8.944 -6.194 2.737 1.00 0.00 C ATOM 498 C CYS A 32 8.618 -5.654 4.104 1.00 0.00 C ATOM 499 O CYS A 32 9.255 -6.010 5.099 1.00 0.00 O ATOM 500 CB CYS A 32 7.842 -7.185 2.372 1.00 0.00 C ATOM 501 SG CYS A 32 7.875 -7.825 0.677 1.00 0.00 S ATOM 0 H CYS A 32 10.222 -7.821 3.060 1.00 0.00 H new ATOM 0 HA CYS A 32 8.992 -5.393 1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.899 -8.030 3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.878 -6.703 2.538 1.00 0.00 H new ATOM 506 N ARG A 33 7.653 -4.764 4.150 1.00 0.00 N ATOM 507 CA ARG A 33 7.148 -4.231 5.395 1.00 0.00 C ATOM 508 C ARG A 33 6.222 -5.270 6.023 1.00 0.00 C ATOM 509 O ARG A 33 5.552 -6.005 5.303 1.00 0.00 O ATOM 510 CB ARG A 33 6.362 -2.953 5.108 1.00 0.00 C ATOM 511 CG ARG A 33 5.929 -2.160 6.331 1.00 0.00 C ATOM 512 CD ARG A 33 5.249 -0.865 5.893 1.00 0.00 C ATOM 513 NE ARG A 33 5.098 0.142 6.952 1.00 0.00 N ATOM 514 CZ ARG A 33 6.102 0.783 7.570 1.00 0.00 C ATOM 515 NH1 ARG A 33 7.359 0.338 7.459 1.00 0.00 N ATOM 516 NH2 ARG A 33 5.844 1.837 8.342 1.00 0.00 N ATOM 0 H ARG A 33 7.194 -4.387 3.321 1.00 0.00 H new ATOM 0 HA ARG A 33 7.970 -4.005 6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.971 -2.307 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.473 -3.215 4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.245 -2.754 6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.794 -1.934 6.955 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.823 -0.429 5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.262 -1.106 5.497 1.00 0.00 H new ATOM 0 HE ARG A 33 4.148 0.374 7.243 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.559 -0.493 6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.118 0.830 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.883 2.157 8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.607 2.324 8.812 1.00 0.00 H new ATOM 530 N PRO A 34 6.184 -5.371 7.347 1.00 0.00 N ATOM 531 CA PRO A 34 5.259 -6.270 8.022 1.00 0.00 C ATOM 532 C PRO A 34 3.811 -5.845 7.776 1.00 0.00 C ATOM 533 O PRO A 34 3.532 -4.667 7.552 1.00 0.00 O ATOM 534 CB PRO A 34 5.667 -6.147 9.490 1.00 0.00 C ATOM 535 CG PRO A 34 6.272 -4.793 9.571 1.00 0.00 C ATOM 536 CD PRO A 34 7.018 -4.631 8.293 1.00 0.00 C ATOM 0 HA PRO A 34 5.306 -7.300 7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.808 -6.243 10.154 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.379 -6.922 9.775 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.507 -4.024 9.682 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.937 -4.708 10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.119 -3.583 8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.025 -5.043 8.355 1.00 0.00 H new ATOM 544 N GLY A 35 2.910 -6.802 7.806 1.00 0.00 N ATOM 545 CA GLY A 35 1.512 -6.524 7.495 1.00 0.00 C ATOM 546 C GLY A 35 1.123 -6.933 6.062 1.00 0.00 C ATOM 547 O GLY A 35 -0.048 -6.858 5.677 1.00 0.00 O ATOM 0 H GLY A 35 3.111 -7.774 8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.875 -7.053 8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.320 -5.459 7.628 1.00 0.00 H new ATOM 551 N TYR A 36 2.098 -7.340 5.292 1.00 0.00 N ATOM 552 CA TYR A 36 1.850 -7.882 3.959 1.00 0.00 C ATOM 553 C TYR A 36 1.586 -9.392 3.974 1.00 0.00 C ATOM 554 O TYR A 36 2.178 -10.127 4.764 1.00 0.00 O ATOM 555 CB TYR A 36 2.934 -7.505 2.938 1.00 0.00 C ATOM 556 CG TYR A 36 3.012 -6.022 2.602 1.00 0.00 C ATOM 557 CD1 TYR A 36 1.922 -5.360 2.046 1.00 0.00 C ATOM 558 CD2 TYR A 36 4.167 -5.286 2.843 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.976 -4.023 1.731 1.00 0.00 C ATOM 560 CE2 TYR A 36 4.230 -3.949 2.532 1.00 0.00 C ATOM 561 CZ TYR A 36 3.131 -3.321 1.972 1.00 0.00 C ATOM 562 OH TYR A 36 3.194 -1.974 1.663 1.00 0.00 O ATOM 0 H TYR A 36 3.082 -7.311 5.558 1.00 0.00 H new ATOM 0 HA TYR A 36 0.932 -7.401 3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.902 -7.827 3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.755 -8.062 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.012 -5.910 1.857 1.00 0.00 H new ATOM 0 HD2 TYR A 36 5.026 -5.772 3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.118 -3.530 1.298 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.134 -3.390 2.724 1.00 0.00 H new ATOM 0 HH TYR A 36 4.080 -1.626 1.896 1.00 0.00 H new ATOM 572 N SER A 37 0.688 -9.846 3.090 1.00 0.00 N ATOM 573 CA SER A 37 0.262 -11.265 3.013 1.00 0.00 C ATOM 574 C SER A 37 1.429 -12.204 2.720 1.00 0.00 C ATOM 575 O SER A 37 1.529 -13.280 3.312 1.00 0.00 O ATOM 576 CB SER A 37 -0.784 -11.428 1.921 1.00 0.00 C ATOM 577 OG SER A 37 -1.891 -10.565 2.135 1.00 0.00 O ATOM 0 H SER A 37 0.231 -9.246 2.404 1.00 0.00 H new ATOM 0 HA SER A 37 -0.151 -11.530 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.336 -11.215 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.126 -12.462 1.894 1.00 0.00 H new ATOM 0 HG SER A 37 -2.547 -10.690 1.417 1.00 0.00 H new ATOM 583 N GLY A 38 2.298 -11.791 1.804 1.00 0.00 N ATOM 584 CA GLY A 38 3.463 -12.594 1.463 1.00 0.00 C ATOM 585 C GLY A 38 4.627 -12.331 2.396 1.00 0.00 C ATOM 586 O GLY A 38 4.560 -11.424 3.222 1.00 0.00 O ATOM 0 H GLY A 38 2.218 -10.914 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.199 -13.651 1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.764 -12.378 0.438 1.00 0.00 H new ATOM 590 N ARG A 39 5.676 -13.139 2.286 1.00 0.00 N ATOM 591 CA ARG A 39 6.869 -12.946 3.094 1.00 0.00 C ATOM 592 C ARG A 39 7.957 -12.414 2.226 1.00 0.00 C ATOM 593 O ARG A 39 7.859 -12.485 1.012 1.00 0.00 O ATOM 594 CB ARG A 39 7.334 -14.277 3.708 1.00 0.00 C ATOM 595 CG ARG A 39 6.287 -14.994 4.499 1.00 0.00 C ATOM 596 CD ARG A 39 5.795 -14.170 5.670 1.00 0.00 C ATOM 597 NE ARG A 39 4.707 -14.865 6.347 1.00 0.00 N ATOM 598 CZ ARG A 39 3.444 -14.584 6.173 1.00 0.00 C ATOM 599 NH1 ARG A 39 3.075 -13.450 5.561 1.00 0.00 N ATOM 600 NH2 ARG A 39 2.503 -15.407 6.623 1.00 0.00 N ATOM 0 H ARG A 39 5.722 -13.932 1.646 1.00 0.00 H new ATOM 0 HA ARG A 39 6.638 -12.248 3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.678 -14.931 2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.191 -14.085 4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.446 -15.238 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.692 -15.937 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.613 -13.990 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.454 -13.195 5.321 1.00 0.00 H new ATOM 0 HE ARG A 39 4.947 -15.615 6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.784 -12.797 5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.086 -13.240 5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.765 -16.265 7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.518 -15.181 6.483 1.00 0.00 H new ATOM 614 N PRO A 40 9.022 -11.836 2.806 1.00 0.00 N ATOM 615 CA PRO A 40 10.137 -11.418 1.989 1.00 0.00 C ATOM 616 C PRO A 40 10.750 -12.617 1.274 1.00 0.00 C ATOM 617 O PRO A 40 10.937 -13.676 1.887 1.00 0.00 O ATOM 618 CB PRO A 40 11.155 -10.899 3.014 1.00 0.00 C ATOM 619 CG PRO A 40 10.377 -10.623 4.254 1.00 0.00 C ATOM 620 CD PRO A 40 9.177 -11.512 4.223 1.00 0.00 C ATOM 0 HA PRO A 40 9.847 -10.688 1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.936 -11.637 3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.648 -9.997 2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.980 -10.820 5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.080 -9.575 4.298 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.327 -12.408 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.295 -11.008 4.617 1.00 0.00 H new ATOM 628 N PHE A 41 11.132 -12.435 0.012 1.00 0.00 N ATOM 629 CA PHE A 41 11.766 -13.486 -0.746 1.00 0.00 C ATOM 630 C PHE A 41 12.756 -12.929 -1.754 1.00 0.00 C ATOM 631 O PHE A 41 12.648 -11.778 -2.188 1.00 0.00 O ATOM 632 CB PHE A 41 10.763 -14.455 -1.425 1.00 0.00 C ATOM 633 CG PHE A 41 9.894 -15.236 -0.478 1.00 0.00 C ATOM 634 CD1 PHE A 41 10.457 -16.182 0.352 1.00 0.00 C ATOM 635 CD2 PHE A 41 8.527 -15.023 -0.413 1.00 0.00 C ATOM 636 CE1 PHE A 41 9.681 -16.914 1.226 1.00 0.00 C ATOM 637 CE2 PHE A 41 7.743 -15.753 0.465 1.00 0.00 C ATOM 638 CZ PHE A 41 8.323 -16.701 1.284 1.00 0.00 C ATOM 0 H PHE A 41 11.008 -11.562 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 41 12.316 -14.082 -0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.121 -13.880 -2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.321 -15.157 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.523 -16.353 0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.069 -14.282 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.139 -17.654 1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.678 -15.581 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.713 -17.273 1.968 1.00 0.00 H new ATOM 648 N SER A 42 13.708 -13.738 -2.100 1.00 0.00 N ATOM 649 CA SER A 42 14.706 -13.412 -3.103 1.00 0.00 C ATOM 650 C SER A 42 14.165 -13.466 -4.546 1.00 0.00 C ATOM 651 O SER A 42 13.202 -14.192 -4.843 1.00 0.00 O ATOM 652 CB SER A 42 15.898 -14.346 -2.991 1.00 0.00 C ATOM 653 OG SER A 42 16.333 -14.453 -1.653 1.00 0.00 O ATOM 0 H SER A 42 13.826 -14.665 -1.692 1.00 0.00 H new ATOM 0 HA SER A 42 15.004 -12.383 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.629 -15.332 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.713 -13.977 -3.614 1.00 0.00 H new ATOM 0 HG SER A 42 17.100 -15.061 -1.606 1.00 0.00 H new ATOM 659 N ILE A 43 14.791 -12.683 -5.428 1.00 0.00 N ATOM 660 CA ILE A 43 14.540 -12.762 -6.875 1.00 0.00 C ATOM 661 C ILE A 43 15.834 -13.049 -7.608 1.00 0.00 C ATOM 662 O ILE A 43 16.923 -12.639 -7.168 1.00 0.00 O ATOM 663 CB ILE A 43 13.902 -11.497 -7.465 1.00 0.00 C ATOM 664 CG1 ILE A 43 14.794 -10.272 -7.211 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.485 -11.298 -7.015 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.325 -9.019 -7.903 1.00 0.00 C ATOM 0 H ILE A 43 15.482 -11.980 -5.165 1.00 0.00 H new ATOM 0 HA ILE A 43 13.823 -13.572 -7.011 1.00 0.00 H new ATOM 0 HB ILE A 43 13.836 -11.631 -8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.842 -10.086 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.808 -10.499 -7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.085 -10.389 -7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.882 -12.151 -7.325 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.457 -11.210 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.007 -8.200 -7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.305 -9.184 -8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.323 -8.765 -7.556 1.00 0.00 H new ATOM 678 N ILE A 44 15.706 -13.818 -8.672 1.00 0.00 N ATOM 679 CA ILE A 44 16.840 -14.300 -9.451 1.00 0.00 C ATOM 680 C ILE A 44 16.576 -13.980 -10.967 1.00 0.00 C ATOM 681 O ILE A 44 15.476 -14.231 -11.420 1.00 0.00 O ATOM 682 CB ILE A 44 16.966 -15.809 -9.243 1.00 0.00 C ATOM 683 CG1 ILE A 44 16.811 -16.123 -7.773 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.375 -16.246 -9.631 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.828 -17.230 -7.517 1.00 0.00 C ATOM 0 H ILE A 44 14.803 -14.132 -9.027 1.00 0.00 H new ATOM 0 HA ILE A 44 17.764 -13.815 -9.136 1.00 0.00 H new ATOM 0 HB ILE A 44 16.208 -16.315 -9.841 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.781 -16.401 -7.361 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.487 -15.226 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.475 -17.322 -9.486 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.556 -16.002 -10.678 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.102 -15.727 -9.007 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.757 -17.413 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.849 -16.944 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.164 -18.138 -8.018 1.00 0.00 H new ATOM 697 N CYS A 45 17.550 -13.406 -11.731 1.00 0.00 N ATOM 698 CA CYS A 45 17.326 -12.994 -13.198 1.00 0.00 C ATOM 699 C CYS A 45 17.045 -14.199 -14.149 1.00 0.00 C ATOM 700 O CYS A 45 17.611 -14.281 -15.236 1.00 0.00 O ATOM 701 CB CYS A 45 18.577 -12.320 -13.720 1.00 0.00 C ATOM 702 SG CYS A 45 19.463 -11.305 -12.528 1.00 0.00 S ATOM 0 H CYS A 45 18.490 -13.210 -11.387 1.00 0.00 H new ATOM 0 HA CYS A 45 16.454 -12.340 -13.196 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.255 -13.088 -14.092 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.305 -11.696 -14.571 1.00 0.00 H new ATOM 707 N LEU A 46 16.160 -15.078 -13.734 1.00 0.00 N ATOM 708 CA LEU A 46 15.976 -16.365 -14.392 1.00 0.00 C ATOM 709 C LEU A 46 15.483 -16.272 -15.831 1.00 0.00 C ATOM 710 O LEU A 46 15.969 -16.969 -16.710 1.00 0.00 O ATOM 711 CB LEU A 46 15.028 -17.229 -13.592 1.00 0.00 C ATOM 712 CG LEU A 46 15.523 -17.642 -12.227 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.494 -18.477 -11.484 1.00 0.00 C ATOM 714 CD2 LEU A 46 16.890 -18.304 -12.276 1.00 0.00 C ATOM 0 H LEU A 46 15.546 -14.927 -12.934 1.00 0.00 H new ATOM 0 HA LEU A 46 16.968 -16.814 -14.436 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.088 -16.691 -13.471 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.809 -18.128 -14.168 1.00 0.00 H new ATOM 0 HG LEU A 46 15.659 -16.726 -11.651 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.888 -18.754 -10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.579 -17.898 -11.356 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.275 -19.379 -12.056 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.197 -18.580 -11.267 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.839 -19.198 -12.898 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.616 -17.609 -12.698 1.00 0.00 H new ATOM 726 N LYS A 47 14.517 -15.386 -16.071 1.00 0.00 N ATOM 727 CA LYS A 47 13.926 -15.325 -17.372 1.00 0.00 C ATOM 728 C LYS A 47 13.933 -13.985 -18.000 1.00 0.00 C ATOM 729 O LYS A 47 13.386 -13.039 -17.465 1.00 0.00 O ATOM 730 CB LYS A 47 12.560 -15.965 -17.381 1.00 0.00 C ATOM 731 CG LYS A 47 11.878 -15.873 -18.727 1.00 0.00 C ATOM 732 CD LYS A 47 10.774 -16.867 -18.795 1.00 0.00 C ATOM 733 CE LYS A 47 11.493 -18.205 -18.918 1.00 0.00 C ATOM 734 NZ LYS A 47 10.586 -19.349 -19.208 1.00 0.00 N ATOM 0 H LYS A 47 14.146 -14.724 -15.390 1.00 0.00 H new ATOM 0 HA LYS A 47 14.580 -15.914 -18.015 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.653 -17.013 -17.097 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.934 -15.485 -16.628 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.486 -14.868 -18.879 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.598 -16.059 -19.524 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.148 -16.830 -17.904 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.123 -16.683 -19.650 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.239 -18.135 -19.710 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.030 -18.405 -17.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.143 -20.225 -19.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.889 -19.442 -18.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.091 -19.181 -20.107 1.00 0.00 H new ATOM 748 N ASN A 48 14.601 -13.933 -19.163 1.00 0.00 N ATOM 749 CA ASN A 48 14.676 -12.736 -20.004 1.00 0.00 C ATOM 750 C ASN A 48 15.198 -11.579 -19.175 1.00 0.00 C ATOM 751 O ASN A 48 14.861 -10.429 -19.428 1.00 0.00 O ATOM 752 CB ASN A 48 13.279 -12.425 -20.605 1.00 0.00 C ATOM 753 CG ASN A 48 12.858 -13.433 -21.667 1.00 0.00 C ATOM 754 OD1 ASN A 48 13.813 -14.028 -22.353 1.00 0.00 O flip ATOM 755 ND2 ASN A 48 11.673 -13.662 -21.882 1.00 0.00 N flip ATOM 0 H ASN A 48 15.108 -14.731 -19.547 1.00 0.00 H new ATOM 0 HA ASN A 48 15.363 -12.902 -20.834 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.538 -12.415 -19.806 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.290 -11.426 -21.042 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.954 -13.187 -21.336 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.406 -14.328 -22.607 1.00 0.00 H new ATOM 762 N SER A 49 16.098 -11.905 -18.224 1.00 0.00 N ATOM 763 CA SER A 49 16.635 -10.938 -17.255 1.00 0.00 C ATOM 764 C SER A 49 15.510 -10.142 -16.551 1.00 0.00 C ATOM 765 O SER A 49 15.726 -9.062 -16.040 1.00 0.00 O ATOM 766 CB SER A 49 17.635 -9.998 -17.925 1.00 0.00 C ATOM 767 OG SER A 49 18.496 -10.727 -18.785 1.00 0.00 O ATOM 0 H SER A 49 16.470 -12.848 -18.110 1.00 0.00 H new ATOM 0 HA SER A 49 17.159 -11.504 -16.485 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.103 -9.235 -18.493 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.221 -9.479 -17.167 1.00 0.00 H new ATOM 0 HG SER A 49 19.131 -10.113 -19.210 1.00 0.00 H new ATOM 773 N VAL A 50 14.322 -10.740 -16.506 1.00 0.00 N ATOM 774 CA VAL A 50 13.121 -10.125 -15.926 1.00 0.00 C ATOM 775 C VAL A 50 13.017 -10.561 -14.484 1.00 0.00 C ATOM 776 O VAL A 50 12.230 -10.036 -13.691 1.00 0.00 O ATOM 777 CB VAL A 50 11.837 -10.500 -16.731 1.00 0.00 C ATOM 778 CG1 VAL A 50 10.600 -9.932 -16.065 1.00 0.00 C ATOM 779 CG2 VAL A 50 11.946 -9.970 -18.160 1.00 0.00 C ATOM 0 H VAL A 50 14.160 -11.677 -16.875 1.00 0.00 H new ATOM 0 HA VAL A 50 13.205 -9.039 -15.977 1.00 0.00 H new ATOM 0 HB VAL A 50 11.749 -11.586 -16.754 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.717 -10.206 -16.643 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.512 -10.335 -15.056 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.679 -8.846 -16.016 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.047 -10.235 -18.716 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.053 -8.885 -18.139 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.816 -10.411 -18.646 1.00 0.00 H new ATOM 789 N TRP A 51 13.835 -11.573 -14.180 1.00 0.00 N ATOM 790 CA TRP A 51 13.929 -12.168 -12.871 1.00 0.00 C ATOM 791 C TRP A 51 12.762 -13.106 -12.632 1.00 0.00 C ATOM 792 O TRP A 51 11.956 -13.347 -13.524 1.00 0.00 O ATOM 793 CB TRP A 51 14.044 -11.059 -11.799 1.00 0.00 C ATOM 794 CG TRP A 51 15.301 -10.210 -11.927 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.529 -9.234 -12.844 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.412 -10.168 -11.032 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.757 -8.661 -12.645 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.306 -9.184 -11.517 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.754 -10.870 -9.894 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.504 -8.891 -10.886 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.941 -10.576 -9.271 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.798 -9.592 -9.767 1.00 0.00 C ATOM 0 H TRP A 51 14.459 -12.002 -14.863 1.00 0.00 H new ATOM 0 HA TRP A 51 14.832 -12.775 -12.802 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.170 -10.411 -11.865 1.00 0.00 H new ATOM 0 HB3 TRP A 51 14.026 -11.518 -10.811 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.837 -8.949 -13.623 1.00 0.00 H new ATOM 0 HE1 TRP A 51 17.188 -7.958 -13.245 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.101 -11.635 -9.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.174 -8.136 -11.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.218 -11.117 -8.378 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.720 -9.385 -9.244 1.00 0.00 H new ATOM 813 N THR A 52 12.717 -13.669 -11.459 1.00 0.00 N ATOM 814 CA THR A 52 11.720 -14.647 -11.103 1.00 0.00 C ATOM 815 C THR A 52 10.329 -13.987 -11.070 1.00 0.00 C ATOM 816 O THR A 52 9.319 -14.611 -11.366 1.00 0.00 O ATOM 817 CB THR A 52 12.015 -15.220 -9.718 1.00 0.00 C ATOM 818 OG1 THR A 52 11.960 -14.191 -8.736 1.00 0.00 O ATOM 819 CG2 THR A 52 13.405 -15.757 -9.681 1.00 0.00 C ATOM 0 H THR A 52 13.378 -13.462 -10.711 1.00 0.00 H new ATOM 0 HA THR A 52 11.740 -15.445 -11.845 1.00 0.00 H new ATOM 0 HB THR A 52 11.277 -15.997 -9.516 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.990 -14.590 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.611 -16.165 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.511 -16.544 -10.427 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.111 -14.955 -9.897 1.00 0.00 H new ATOM 827 N GLY A 53 10.319 -12.711 -10.691 1.00 0.00 N ATOM 828 CA GLY A 53 9.091 -11.966 -10.545 1.00 0.00 C ATOM 829 C GLY A 53 8.960 -11.394 -9.155 1.00 0.00 C ATOM 830 O GLY A 53 8.309 -11.993 -8.307 1.00 0.00 O ATOM 0 H GLY A 53 11.161 -12.176 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.063 -11.159 -11.277 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.241 -12.616 -10.755 1.00 0.00 H new ATOM 834 N ALA A 54 9.589 -10.233 -8.927 1.00 0.00 N ATOM 835 CA ALA A 54 9.535 -9.549 -7.627 1.00 0.00 C ATOM 836 C ALA A 54 8.164 -8.922 -7.422 1.00 0.00 C ATOM 837 O ALA A 54 7.815 -8.501 -6.320 1.00 0.00 O ATOM 838 CB ALA A 54 10.609 -8.474 -7.508 1.00 0.00 C ATOM 0 H ALA A 54 10.144 -9.745 -9.630 1.00 0.00 H new ATOM 0 HA ALA A 54 9.718 -10.297 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.535 -7.992 -6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.593 -8.930 -7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.468 -7.730 -8.292 1.00 0.00 H new ATOM 844 N LYS A 55 7.405 -8.876 -8.470 1.00 0.00 N ATOM 845 CA LYS A 55 6.115 -8.323 -8.443 1.00 0.00 C ATOM 846 C LYS A 55 5.152 -9.095 -7.573 1.00 0.00 C ATOM 847 O LYS A 55 5.111 -10.321 -7.590 1.00 0.00 O ATOM 848 CB LYS A 55 5.534 -8.259 -9.815 1.00 0.00 C ATOM 849 CG LYS A 55 4.186 -7.648 -9.775 1.00 0.00 C ATOM 850 CD LYS A 55 3.573 -7.545 -11.093 1.00 0.00 C ATOM 851 CE LYS A 55 2.266 -6.918 -10.911 1.00 0.00 C ATOM 852 NZ LYS A 55 1.527 -6.754 -12.191 1.00 0.00 N ATOM 0 H LYS A 55 7.684 -9.234 -9.383 1.00 0.00 H new ATOM 0 HA LYS A 55 6.240 -7.325 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.186 -7.676 -10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.474 -9.261 -10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.542 -8.241 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.256 -6.654 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.195 -6.951 -11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.468 -8.530 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.670 -7.521 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.397 -5.942 -10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.607 -6.305 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.080 -6.156 -12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.376 -7.686 -12.626 1.00 0.00 H new ATOM 866 N ASP A 56 4.415 -8.316 -6.787 1.00 0.00 N ATOM 867 CA ASP A 56 3.315 -8.783 -5.938 1.00 0.00 C ATOM 868 C ASP A 56 3.763 -9.862 -4.976 1.00 0.00 C ATOM 869 O ASP A 56 2.967 -10.732 -4.587 1.00 0.00 O ATOM 870 CB ASP A 56 2.162 -9.295 -6.840 1.00 0.00 C ATOM 871 CG ASP A 56 1.429 -8.172 -7.558 1.00 0.00 C ATOM 872 OD1 ASP A 56 1.600 -6.995 -7.181 1.00 0.00 O ATOM 873 OD2 ASP A 56 0.668 -8.469 -8.497 1.00 0.00 O ATOM 0 H ASP A 56 4.569 -7.310 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 56 2.965 -7.947 -5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.565 -9.989 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.452 -9.854 -6.231 1.00 0.00 H new ATOM 878 N ARG A 57 5.039 -9.794 -4.568 1.00 0.00 N ATOM 879 CA ARG A 57 5.563 -10.768 -3.626 1.00 0.00 C ATOM 880 C ARG A 57 4.830 -10.592 -2.274 1.00 0.00 C ATOM 881 O ARG A 57 4.476 -11.556 -1.604 1.00 0.00 O ATOM 882 CB ARG A 57 7.070 -10.622 -3.363 1.00 0.00 C ATOM 883 CG ARG A 57 7.962 -10.772 -4.594 1.00 0.00 C ATOM 884 CD ARG A 57 7.763 -12.080 -5.303 1.00 0.00 C ATOM 885 NE ARG A 57 8.037 -13.312 -4.536 1.00 0.00 N ATOM 886 CZ ARG A 57 9.221 -13.935 -4.479 1.00 0.00 C ATOM 887 NH1 ARG A 57 10.340 -13.325 -4.906 1.00 0.00 N ATOM 888 NH2 ARG A 57 9.281 -15.161 -3.979 1.00 0.00 N ATOM 0 H ARG A 57 5.708 -9.087 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 57 5.399 -11.751 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.252 -9.643 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.368 -11.367 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.758 -9.955 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.006 -10.683 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.731 -12.122 -5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.399 -12.085 -6.188 1.00 0.00 H new ATOM 0 HE ARG A 57 7.265 -13.720 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.293 -12.377 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.236 -13.810 -4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.432 -15.617 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.176 -15.648 -3.929 1.00 0.00 H new ATOM 902 N CYS A 58 4.616 -9.340 -1.930 1.00 0.00 N ATOM 903 CA CYS A 58 3.943 -8.972 -0.713 1.00 0.00 C ATOM 904 C CYS A 58 2.718 -8.175 -1.054 1.00 0.00 C ATOM 905 O CYS A 58 2.723 -7.390 -1.992 1.00 0.00 O ATOM 906 CB CYS A 58 4.894 -8.191 0.181 1.00 0.00 C ATOM 907 SG CYS A 58 6.347 -9.162 0.691 1.00 0.00 S ATOM 0 H CYS A 58 4.909 -8.544 -2.497 1.00 0.00 H new ATOM 0 HA CYS A 58 3.631 -9.861 -0.166 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.228 -7.297 -0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.357 -7.856 1.069 1.00 0.00 H new ATOM 912 N ARG A 59 1.672 -8.374 -0.308 1.00 0.00 N ATOM 913 CA ARG A 59 0.397 -7.865 -0.734 1.00 0.00 C ATOM 914 C ARG A 59 -0.294 -7.079 0.371 1.00 0.00 C ATOM 915 O ARG A 59 -0.311 -7.500 1.530 1.00 0.00 O ATOM 916 CB ARG A 59 -0.359 -9.116 -1.141 1.00 0.00 C ATOM 917 CG ARG A 59 0.278 -9.761 -2.361 1.00 0.00 C ATOM 918 CD ARG A 59 -0.356 -11.046 -2.755 1.00 0.00 C ATOM 919 NE ARG A 59 0.326 -11.612 -3.927 1.00 0.00 N ATOM 920 CZ ARG A 59 -0.128 -12.618 -4.667 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.229 -13.257 -4.324 1.00 0.00 N ATOM 922 NH2 ARG A 59 0.556 -13.000 -5.730 1.00 0.00 N ATOM 0 H ARG A 59 1.671 -8.874 0.581 1.00 0.00 H new ATOM 0 HA ARG A 59 0.468 -7.147 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.369 -9.825 -0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.397 -8.864 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.223 -9.066 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.335 -9.934 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.312 -11.751 -1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.410 -10.885 -2.981 1.00 0.00 H new ATOM 0 HE ARG A 59 1.220 -11.200 -4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.739 -12.980 -3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.571 -14.028 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.424 -12.524 -5.976 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.216 -13.771 -6.305 1.00 0.00 H new ATOM 936 N ARG A 60 -0.897 -5.979 -0.013 1.00 0.00 N ATOM 937 CA ARG A 60 -1.608 -5.094 0.910 1.00 0.00 C ATOM 938 C ARG A 60 -3.056 -5.532 1.135 1.00 0.00 C ATOM 939 O ARG A 60 -3.711 -6.056 0.231 1.00 0.00 O ATOM 940 CB ARG A 60 -1.566 -3.657 0.378 1.00 0.00 C ATOM 941 CG ARG A 60 -2.271 -3.480 -0.972 1.00 0.00 C ATOM 942 CD ARG A 60 -2.266 -2.018 -1.416 1.00 0.00 C ATOM 943 NE ARG A 60 -0.914 -1.511 -1.663 1.00 0.00 N ATOM 944 CZ ARG A 60 -0.629 -0.219 -1.932 1.00 0.00 C ATOM 945 NH1 ARG A 60 -1.597 0.693 -1.950 1.00 0.00 N ATOM 946 NH2 ARG A 60 0.628 0.153 -2.167 1.00 0.00 N ATOM 0 H ARG A 60 -0.914 -5.661 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.104 -5.148 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.029 -2.994 1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.526 -3.346 0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.776 -4.092 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.299 -3.836 -0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.860 -1.915 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.745 -1.408 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.140 -2.175 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.561 0.418 -1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.376 1.668 -2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.377 -0.539 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.841 1.130 -2.370 1.00 0.00 H new ATOM 960 N LYS A 61 -3.525 -5.323 2.351 1.00 0.00 N ATOM 961 CA LYS A 61 -4.893 -5.695 2.772 1.00 0.00 C ATOM 962 C LYS A 61 -5.988 -4.760 2.357 1.00 0.00 C ATOM 963 O LYS A 61 -5.790 -3.554 2.146 1.00 0.00 O ATOM 964 CB LYS A 61 -4.990 -6.000 4.242 1.00 0.00 C ATOM 965 CG LYS A 61 -4.510 -7.391 4.577 1.00 0.00 C ATOM 966 CD LYS A 61 -5.513 -8.488 4.164 1.00 0.00 C ATOM 967 CE LYS A 61 -6.748 -8.475 5.053 1.00 0.00 C ATOM 968 NZ LYS A 61 -7.658 -9.651 4.803 1.00 0.00 N ATOM 0 H LYS A 61 -2.975 -4.888 3.092 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.070 -6.610 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.402 -5.272 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.025 -5.889 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.557 -7.571 4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.327 -7.458 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.809 -8.340 3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.031 -9.464 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.438 -8.476 6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.301 -7.551 4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.482 -9.592 5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.978 -9.638 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.142 -10.535 4.988 1.00 0.00 H new ATOM 982 N SER A 62 -7.136 -5.368 2.176 1.00 0.00 N ATOM 983 CA SER A 62 -8.348 -4.689 1.797 1.00 0.00 C ATOM 984 C SER A 62 -8.929 -3.838 2.955 1.00 0.00 C ATOM 985 O SER A 62 -9.077 -4.326 4.073 1.00 0.00 O ATOM 986 CB SER A 62 -9.356 -5.740 1.382 1.00 0.00 C ATOM 987 OG SER A 62 -10.576 -5.179 0.981 1.00 0.00 O ATOM 0 H SER A 62 -7.254 -6.375 2.292 1.00 0.00 H new ATOM 0 HA SER A 62 -8.127 -4.004 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.945 -6.332 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.529 -6.423 2.214 1.00 0.00 H new ATOM 0 HG SER A 62 -11.195 -5.893 0.721 1.00 0.00 H new ATOM 993 N CYS A 63 -9.383 -2.637 2.616 1.00 0.00 N ATOM 994 CA CYS A 63 -9.949 -1.665 3.570 1.00 0.00 C ATOM 995 C CYS A 63 -11.477 -1.764 3.601 1.00 0.00 C ATOM 996 O CYS A 63 -12.114 -2.133 2.615 1.00 0.00 O ATOM 997 CB CYS A 63 -9.488 -0.244 3.178 1.00 0.00 C ATOM 998 SG CYS A 63 -7.704 0.034 3.472 1.00 0.00 S ATOM 0 H CYS A 63 -9.372 -2.296 1.655 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.589 -1.889 4.574 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.708 -0.074 2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.063 0.488 3.745 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.051 -1.424 4.738 1.00 0.00 N ATOM 1004 CA ARG A 64 -13.497 -1.512 4.943 1.00 0.00 C ATOM 1005 C ARG A 64 -13.981 -0.180 5.429 1.00 0.00 C ATOM 1006 O ARG A 64 -13.343 0.408 6.279 1.00 0.00 O ATOM 1007 CB ARG A 64 -13.835 -2.608 5.996 1.00 0.00 C ATOM 1008 CG ARG A 64 -13.307 -2.308 7.423 1.00 0.00 C ATOM 1009 CD ARG A 64 -11.857 -2.739 7.571 1.00 0.00 C ATOM 1010 NE ARG A 64 -11.702 -4.195 7.458 1.00 0.00 N ATOM 1011 CZ ARG A 64 -11.505 -5.027 8.482 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -11.197 -4.539 9.685 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -11.572 -6.333 8.292 1.00 0.00 N ATOM 0 H ARG A 64 -11.536 -1.079 5.548 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.985 -1.779 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.917 -2.731 6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.420 -3.558 5.660 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.396 -1.242 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.921 -2.828 8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.253 -2.250 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.477 -2.408 8.537 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.749 -4.602 6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.113 -3.532 9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.046 -5.173 10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.774 -6.704 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.422 -6.970 9.074 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.131 0.287 4.954 1.00 0.00 N ATOM 1028 CA ASN A 65 -15.554 1.624 5.301 1.00 0.00 C ATOM 1029 C ASN A 65 -16.838 1.718 6.188 1.00 0.00 C ATOM 1030 O ASN A 65 -17.697 2.539 5.912 1.00 0.00 O ATOM 1031 CB ASN A 65 -15.712 2.421 4.016 1.00 0.00 C ATOM 1032 CG ASN A 65 -15.520 3.906 4.211 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -14.403 4.380 4.364 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -16.585 4.634 4.166 1.00 0.00 N ATOM 0 H ASN A 65 -15.766 -0.229 4.345 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.776 2.044 5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.991 2.061 3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.705 2.240 3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.514 5.647 4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.497 4.196 4.037 1.00 0.00 H new ATOM 1041 N PRO A 66 -17.007 0.884 7.275 1.00 0.00 N ATOM 1042 CA PRO A 66 -18.100 1.084 8.242 1.00 0.00 C ATOM 1043 C PRO A 66 -18.122 2.486 8.940 1.00 0.00 C ATOM 1044 O PRO A 66 -19.170 2.862 9.465 1.00 0.00 O ATOM 1045 CB PRO A 66 -17.903 -0.031 9.272 1.00 0.00 C ATOM 1046 CG PRO A 66 -16.545 -0.547 9.034 1.00 0.00 C ATOM 1047 CD PRO A 66 -16.220 -0.292 7.602 1.00 0.00 C ATOM 0 HA PRO A 66 -19.059 1.049 7.725 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.006 0.350 10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.649 -0.816 9.149 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.826 -0.051 9.686 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.494 -1.613 9.256 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.154 -0.113 7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.488 -1.141 6.973 1.00 0.00 H new ATOM 1055 N PRO A 67 -16.977 3.295 8.979 1.00 0.00 N ATOM 1056 CA PRO A 67 -17.003 4.673 9.527 1.00 0.00 C ATOM 1057 C PRO A 67 -17.830 5.637 8.638 1.00 0.00 C ATOM 1058 O PRO A 67 -17.777 6.867 8.820 1.00 0.00 O ATOM 1059 CB PRO A 67 -15.518 5.116 9.506 1.00 0.00 C ATOM 1060 CG PRO A 67 -14.878 4.203 8.517 1.00 0.00 C ATOM 1061 CD PRO A 67 -15.595 2.897 8.667 1.00 0.00 C ATOM 0 HA PRO A 67 -17.460 4.695 10.516 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.418 6.160 9.208 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.060 5.021 10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -14.975 4.591 7.503 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.812 4.092 8.716 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.545 2.305 7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.163 2.291 9.463 1.00 0.00 H new ATOM 1069 N ASP A 68 -18.576 5.042 7.662 1.00 0.00 N ATOM 1070 CA ASP A 68 -19.486 5.763 6.757 1.00 0.00 C ATOM 1071 C ASP A 68 -20.250 6.882 7.502 1.00 0.00 C ATOM 1072 O ASP A 68 -20.533 6.774 8.684 1.00 0.00 O ATOM 1073 CB ASP A 68 -20.493 4.793 6.088 1.00 0.00 C ATOM 1074 CG ASP A 68 -19.960 4.136 4.828 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -19.338 4.836 4.013 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -20.184 2.924 4.645 1.00 0.00 O ATOM 0 H ASP A 68 -18.553 4.037 7.490 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.873 6.220 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.768 4.018 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.404 5.340 5.845 1.00 0.00 H new ATOM 1081 N PRO A 69 -20.654 7.922 6.771 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.220 9.138 7.310 1.00 0.00 C ATOM 1083 C PRO A 69 -22.581 8.962 7.929 1.00 0.00 C ATOM 1084 O PRO A 69 -23.330 8.056 7.559 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.298 10.086 6.096 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.529 9.410 5.043 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.671 7.952 5.319 1.00 0.00 C ATOM 0 HA PRO A 69 -20.605 9.513 8.128 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.331 10.251 5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.875 11.063 6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.913 9.661 4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.482 9.713 5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.598 7.547 4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.854 7.373 4.888 1.00 0.00 H new ATOM 1095 N VAL A 70 -22.894 9.833 8.872 1.00 0.00 N ATOM 1096 CA VAL A 70 -24.182 9.800 9.534 1.00 0.00 C ATOM 1097 C VAL A 70 -25.286 10.021 8.493 1.00 0.00 C ATOM 1098 O VAL A 70 -26.280 9.316 8.486 1.00 0.00 O ATOM 1099 CB VAL A 70 -24.243 10.952 10.584 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -25.635 11.104 11.173 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -23.200 10.733 11.694 1.00 0.00 C ATOM 0 H VAL A 70 -22.271 10.573 9.196 1.00 0.00 H new ATOM 0 HA VAL A 70 -24.320 8.837 10.026 1.00 0.00 H new ATOM 0 HB VAL A 70 -24.006 11.881 10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -25.636 11.916 11.900 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -26.344 11.329 10.377 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.925 10.176 11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -23.260 11.548 12.415 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -23.398 9.787 12.198 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.202 10.709 11.256 1.00 0.00 H new ATOM 1111 N ASN A 71 -25.089 11.024 7.631 1.00 0.00 N ATOM 1112 CA ASN A 71 -26.010 11.284 6.530 1.00 0.00 C ATOM 1113 C ASN A 71 -25.749 10.383 5.287 1.00 0.00 C ATOM 1114 O ASN A 71 -26.596 10.279 4.383 1.00 0.00 O ATOM 1115 CB ASN A 71 -26.047 12.760 6.171 1.00 0.00 C ATOM 1116 CG ASN A 71 -27.151 13.094 5.180 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -26.925 13.163 3.978 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -28.355 13.298 5.688 1.00 0.00 N ATOM 0 H ASN A 71 -24.298 11.667 7.678 1.00 0.00 H new ATOM 0 HA ASN A 71 -27.002 11.009 6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.189 13.347 7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -25.085 13.052 5.749 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -29.137 13.522 5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -28.502 13.231 6.695 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.598 9.697 5.280 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.250 8.827 4.158 1.00 0.00 C ATOM 1127 C GLY A 72 -23.509 9.484 2.965 1.00 0.00 C ATOM 1128 O GLY A 72 -23.691 9.054 1.822 1.00 0.00 O ATOM 0 H GLY A 72 -23.905 9.729 6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.629 8.016 4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.168 8.376 3.781 1.00 0.00 H new ATOM 1132 N MET A 73 -22.729 10.549 3.199 1.00 0.00 N ATOM 1133 CA MET A 73 -21.986 11.183 2.091 1.00 0.00 C ATOM 1134 C MET A 73 -20.436 10.932 2.203 1.00 0.00 C ATOM 1135 O MET A 73 -19.720 11.682 2.886 1.00 0.00 O ATOM 1136 CB MET A 73 -22.255 12.679 2.040 1.00 0.00 C ATOM 1137 CG MET A 73 -23.671 13.048 1.684 1.00 0.00 C ATOM 1138 SD MET A 73 -23.926 14.836 1.638 1.00 0.00 S ATOM 1139 CE MET A 73 -25.710 14.927 1.498 1.00 0.00 C ATOM 0 H MET A 73 -22.595 10.981 4.113 1.00 0.00 H new ATOM 0 HA MET A 73 -22.342 10.721 1.170 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.013 13.112 3.011 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.581 13.132 1.313 1.00 0.00 H new ATOM 0 HG2 MET A 73 -23.921 12.623 0.712 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.353 12.605 2.410 1.00 0.00 H new ATOM 0 HE1 MET A 73 -25.981 15.214 0.482 1.00 0.00 H new ATOM 0 HE2 MET A 73 -26.143 13.954 1.728 1.00 0.00 H new ATOM 0 HE3 MET A 73 -26.093 15.669 2.199 1.00 0.00 H new ATOM 1149 N VAL A 74 -19.950 9.910 1.512 1.00 0.00 N ATOM 1150 CA VAL A 74 -18.505 9.605 1.377 1.00 0.00 C ATOM 1151 C VAL A 74 -18.064 9.668 -0.065 1.00 0.00 C ATOM 1152 O VAL A 74 -18.721 9.141 -0.972 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.071 8.197 1.963 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -16.673 7.831 1.502 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -18.058 8.234 3.434 1.00 0.00 C ATOM 0 H VAL A 74 -20.547 9.249 1.015 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.014 10.375 1.972 1.00 0.00 H new ATOM 0 HB VAL A 74 -18.791 7.461 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.396 6.861 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -16.650 7.781 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -15.967 8.587 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.758 7.260 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.351 8.992 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -19.055 8.478 3.801 1.00 0.00 H new ATOM 1165 N HIS A 75 -16.963 10.353 -0.254 1.00 0.00 N ATOM 1166 CA HIS A 75 -16.336 10.481 -1.537 1.00 0.00 C ATOM 1167 C HIS A 75 -15.118 9.624 -1.468 1.00 0.00 C ATOM 1168 O HIS A 75 -14.453 9.621 -0.447 1.00 0.00 O ATOM 1169 CB HIS A 75 -15.880 11.936 -1.808 1.00 0.00 C ATOM 1170 CG HIS A 75 -16.996 12.913 -1.937 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -16.819 14.260 -2.124 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -18.329 12.720 -1.854 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -17.993 14.853 -2.150 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -18.923 13.944 -1.986 1.00 0.00 N ATOM 0 H HIS A 75 -16.473 10.843 0.494 1.00 0.00 H new ATOM 0 HA HIS A 75 -17.031 10.197 -2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -15.224 12.256 -0.998 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -15.288 11.955 -2.723 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -18.832 11.775 -1.710 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -18.162 15.911 -2.284 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -19.927 14.121 -1.961 1.00 0.00 H new ATOM 1182 N VAL A 76 -14.784 8.930 -2.534 1.00 0.00 N ATOM 1183 CA VAL A 76 -13.635 8.067 -2.470 1.00 0.00 C ATOM 1184 C VAL A 76 -12.653 8.478 -3.539 1.00 0.00 C ATOM 1185 O VAL A 76 -13.012 8.694 -4.700 1.00 0.00 O ATOM 1186 CB VAL A 76 -14.037 6.567 -2.682 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -14.886 6.378 -3.920 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -12.804 5.673 -2.729 1.00 0.00 C ATOM 0 H VAL A 76 -15.276 8.946 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.185 8.161 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.643 6.272 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.142 5.324 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.800 6.965 -3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -14.329 6.708 -4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.111 4.638 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.161 5.982 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.256 5.759 -1.790 1.00 0.00 H new ATOM 1198 N ILE A 77 -11.401 8.642 -3.113 1.00 0.00 N ATOM 1199 CA ILE A 77 -10.353 9.089 -4.003 1.00 0.00 C ATOM 1200 C ILE A 77 -9.679 7.907 -4.713 1.00 0.00 C ATOM 1201 O ILE A 77 -10.005 7.581 -5.852 1.00 0.00 O ATOM 1202 CB ILE A 77 -9.268 9.901 -3.221 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -9.883 11.178 -2.570 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.118 10.280 -4.150 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -8.922 11.896 -1.610 1.00 0.00 C ATOM 0 H ILE A 77 -11.097 8.469 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 77 -10.820 9.731 -4.750 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.882 9.268 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.183 11.870 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.787 10.901 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -7.371 10.845 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -7.663 9.375 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.498 10.891 -4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.414 12.775 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.642 11.220 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.028 12.203 -2.153 1.00 0.00 H new ATOM 1217 N LYS A 78 -8.735 7.271 -4.012 1.00 0.00 N ATOM 1218 CA LYS A 78 -7.902 6.205 -4.588 1.00 0.00 C ATOM 1219 C LYS A 78 -8.698 4.960 -4.988 1.00 0.00 C ATOM 1220 O LYS A 78 -8.480 4.385 -6.044 1.00 0.00 O ATOM 1221 CB LYS A 78 -6.780 5.840 -3.636 1.00 0.00 C ATOM 1222 CG LYS A 78 -5.859 7.022 -3.397 1.00 0.00 C ATOM 1223 CD LYS A 78 -5.157 7.463 -4.667 1.00 0.00 C ATOM 1224 CE LYS A 78 -4.266 8.666 -4.388 1.00 0.00 C ATOM 1225 NZ LYS A 78 -3.509 9.138 -5.582 1.00 0.00 N ATOM 0 H LYS A 78 -8.526 7.477 -3.035 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.481 6.605 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.199 5.504 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.209 5.007 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.435 7.855 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.115 6.756 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.558 6.643 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.894 7.717 -5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.881 9.483 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.560 8.409 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.924 9.957 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.897 8.373 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.177 9.414 -6.330 1.00 0.00 H new ATOM 1239 N GLY A 79 -9.631 4.567 -4.128 1.00 0.00 N ATOM 1240 CA GLY A 79 -10.365 3.334 -4.344 1.00 0.00 C ATOM 1241 C GLY A 79 -10.221 2.386 -3.162 1.00 0.00 C ATOM 1242 O GLY A 79 -9.332 1.546 -3.156 1.00 0.00 O ATOM 0 H GLY A 79 -9.892 5.080 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.419 3.560 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.002 2.847 -5.249 1.00 0.00 H new ATOM 1246 N ILE A 80 -11.163 2.548 -2.177 1.00 0.00 N ATOM 1247 CA ILE A 80 -11.219 1.829 -0.872 1.00 0.00 C ATOM 1248 C ILE A 80 -10.299 0.621 -0.797 1.00 0.00 C ATOM 1249 O ILE A 80 -10.704 -0.522 -1.081 1.00 0.00 O ATOM 1250 CB ILE A 80 -12.692 1.361 -0.547 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -13.668 2.539 -0.475 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -12.751 0.614 0.788 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -13.352 3.498 0.637 1.00 0.00 C ATOM 0 H ILE A 80 -11.931 3.211 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.874 2.553 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 80 -12.986 0.700 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.653 3.075 -1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -14.680 2.157 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.777 0.304 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.108 -0.265 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.410 1.271 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -14.079 4.310 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -13.395 2.975 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.352 3.906 0.492 1.00 0.00 H new ATOM 1265 N GLN A 81 -9.075 0.891 -0.449 1.00 0.00 N ATOM 1266 CA GLN A 81 -8.119 -0.152 -0.130 1.00 0.00 C ATOM 1267 C GLN A 81 -6.950 0.554 0.624 1.00 0.00 C ATOM 1268 O GLN A 81 -7.047 1.749 0.907 1.00 0.00 O ATOM 1269 CB GLN A 81 -7.595 -0.893 -1.393 1.00 0.00 C ATOM 1270 CG GLN A 81 -6.760 -2.123 -1.020 1.00 0.00 C ATOM 1271 CD GLN A 81 -6.206 -2.910 -2.145 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -5.233 -3.706 -1.808 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -6.659 -2.850 -3.271 1.00 0.00 N flip ATOM 0 H GLN A 81 -8.702 1.838 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.592 -0.923 0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.438 -1.199 -2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.991 -0.211 -1.992 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.932 -1.795 -0.392 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.378 -2.784 -0.413 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.423 -2.207 -3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.275 -3.442 -4.007 1.00 0.00 H new ATOM 1282 N PHE A 82 -5.868 -0.153 0.932 1.00 0.00 N ATOM 1283 CA PHE A 82 -4.735 0.449 1.612 1.00 0.00 C ATOM 1284 C PHE A 82 -4.136 1.570 0.791 1.00 0.00 C ATOM 1285 O PHE A 82 -3.861 1.423 -0.405 1.00 0.00 O ATOM 1286 CB PHE A 82 -3.683 -0.625 1.868 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.381 -0.082 2.367 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.256 0.496 3.623 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.251 -0.153 1.550 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.037 0.997 4.050 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.049 0.339 1.968 1.00 0.00 C ATOM 1292 CZ PHE A 82 0.071 0.923 3.218 1.00 0.00 C ATOM 0 H PHE A 82 -5.755 -1.144 0.720 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.077 0.872 2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.073 -1.337 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.507 -1.177 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.117 0.556 4.273 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.330 -0.604 0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.949 1.444 5.029 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.813 0.273 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.022 1.319 3.543 1.00 0.00 H new ATOM 1302 N GLY A 83 -3.953 2.705 1.466 1.00 0.00 N ATOM 1303 CA GLY A 83 -3.459 3.902 0.835 1.00 0.00 C ATOM 1304 C GLY A 83 -4.591 4.823 0.401 1.00 0.00 C ATOM 1305 O GLY A 83 -4.358 5.952 -0.031 1.00 0.00 O ATOM 0 H GLY A 83 -4.146 2.808 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.804 4.433 1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.857 3.633 -0.033 1.00 0.00 H new ATOM 1309 N SER A 84 -5.824 4.334 0.493 1.00 0.00 N ATOM 1310 CA SER A 84 -6.988 5.124 0.115 1.00 0.00 C ATOM 1311 C SER A 84 -7.328 6.175 1.137 1.00 0.00 C ATOM 1312 O SER A 84 -7.084 6.004 2.333 1.00 0.00 O ATOM 1313 CB SER A 84 -8.203 4.266 -0.152 1.00 0.00 C ATOM 1314 OG SER A 84 -7.975 3.419 -1.238 1.00 0.00 O ATOM 0 H SER A 84 -6.041 3.395 0.826 1.00 0.00 H new ATOM 0 HA SER A 84 -6.707 5.625 -0.812 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.440 3.676 0.733 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.066 4.900 -0.353 1.00 0.00 H new ATOM 0 HG SER A 84 -7.073 3.572 -1.588 1.00 0.00 H new ATOM 1320 N GLN A 85 -7.902 7.269 0.656 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.421 8.314 1.514 1.00 0.00 C ATOM 1322 C GLN A 85 -9.798 8.697 1.003 1.00 0.00 C ATOM 1323 O GLN A 85 -9.982 8.892 -0.215 1.00 0.00 O ATOM 1324 CB GLN A 85 -7.486 9.517 1.554 1.00 0.00 C ATOM 1325 CG GLN A 85 -7.965 10.627 2.477 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.015 11.792 2.510 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.834 12.474 1.520 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -6.331 11.941 3.620 1.00 0.00 N ATOM 0 H GLN A 85 -8.019 7.453 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.494 7.951 2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.498 9.189 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.376 9.916 0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.946 10.971 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.086 10.231 3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.524 11.341 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.607 12.657 3.681 1.00 0.00 H new ATOM 1337 N ILE A 86 -10.764 8.782 1.890 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.126 9.130 1.482 1.00 0.00 C ATOM 1339 C ILE A 86 -12.647 10.274 2.303 1.00 0.00 C ATOM 1340 O ILE A 86 -12.086 10.607 3.341 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.094 7.929 1.533 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.574 7.641 2.948 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -12.436 6.719 0.937 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -12.507 7.189 3.890 1.00 0.00 C ATOM 0 H ILE A 86 -10.645 8.619 2.890 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.073 9.439 0.438 1.00 0.00 H new ATOM 0 HB ILE A 86 -13.976 8.185 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -14.037 8.542 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.350 6.876 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.124 5.874 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.170 6.923 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.535 6.479 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.942 7.008 4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.058 6.268 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.741 7.960 3.969 1.00 0.00 H new ATOM 1356 N LYS A 87 -13.672 10.903 1.817 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.140 12.075 2.468 1.00 0.00 C ATOM 1358 C LYS A 87 -15.420 11.867 3.117 1.00 0.00 C ATOM 1359 O LYS A 87 -16.234 11.061 2.683 1.00 0.00 O ATOM 1360 CB LYS A 87 -14.302 13.193 1.545 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.030 13.506 0.844 1.00 0.00 C ATOM 1362 CD LYS A 87 -11.881 13.894 1.742 1.00 0.00 C ATOM 1363 CE LYS A 87 -10.648 14.174 0.882 1.00 0.00 C ATOM 1364 NZ LYS A 87 -9.461 14.583 1.686 1.00 0.00 N ATOM 0 H LYS A 87 -14.191 10.626 0.984 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.375 12.308 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.073 12.954 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.644 14.072 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.734 12.637 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.212 14.319 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.141 14.777 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.671 13.094 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.401 13.281 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.883 14.960 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.666 14.792 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.693 15.432 2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.195 13.811 2.330 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.598 12.579 4.143 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.789 12.535 4.855 1.00 0.00 C ATOM 1380 C TYR A 88 -17.476 13.846 4.778 1.00 0.00 C ATOM 1381 O TYR A 88 -16.903 14.892 5.072 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.503 12.089 6.268 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.029 10.652 6.285 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -14.685 10.370 6.153 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -16.917 9.593 6.401 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -14.223 9.074 6.152 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -16.460 8.278 6.403 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.106 8.029 6.281 1.00 0.00 C ATOM 1389 OH TYR A 88 -14.641 6.729 6.281 1.00 0.00 O ATOM 0 H TYR A 88 -14.903 13.224 4.519 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.474 11.807 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.745 12.733 6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.402 12.189 6.876 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -13.981 11.183 6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -17.975 9.791 6.491 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -13.166 8.878 6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -17.158 7.459 6.499 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.850 6.307 5.422 1.00 0.00 H new ATOM 1399 N SER A 89 -18.709 13.773 4.441 1.00 0.00 N ATOM 1400 CA SER A 89 -19.529 14.935 4.392 1.00 0.00 C ATOM 1401 C SER A 89 -20.956 14.558 4.731 1.00 0.00 C ATOM 1402 O SER A 89 -21.357 13.388 4.662 1.00 0.00 O ATOM 1403 CB SER A 89 -19.451 15.551 2.967 1.00 0.00 C ATOM 1404 OG SER A 89 -19.724 14.568 1.975 1.00 0.00 O ATOM 0 H SER A 89 -19.184 12.906 4.190 1.00 0.00 H new ATOM 0 HA SER A 89 -19.181 15.671 5.117 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.166 16.370 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 89 -18.460 15.974 2.803 1.00 0.00 H new ATOM 0 HG SER A 89 -19.790 13.686 2.398 1.00 0.00 H new ATOM 1410 N CYS A 90 -21.663 15.525 5.243 1.00 0.00 N ATOM 1411 CA CYS A 90 -23.077 15.386 5.640 1.00 0.00 C ATOM 1412 C CYS A 90 -23.997 16.116 4.658 1.00 0.00 C ATOM 1413 O CYS A 90 -25.118 15.706 4.379 1.00 0.00 O ATOM 1414 CB CYS A 90 -23.198 16.055 7.013 1.00 0.00 C ATOM 1415 SG CYS A 90 -22.010 15.456 8.252 1.00 0.00 S ATOM 0 H CYS A 90 -21.286 16.458 5.408 1.00 0.00 H new ATOM 0 HA CYS A 90 -23.367 14.335 5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -23.066 17.130 6.892 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -24.208 15.898 7.391 1.00 0.00 H new ATOM 1420 N THR A 91 -23.521 17.297 4.231 1.00 0.00 N ATOM 1421 CA THR A 91 -24.276 18.262 3.438 1.00 0.00 C ATOM 1422 C THR A 91 -23.256 19.246 2.812 1.00 0.00 C ATOM 1423 O THR A 91 -22.125 19.173 3.156 1.00 0.00 O ATOM 1424 CB THR A 91 -25.187 19.011 4.440 1.00 0.00 C ATOM 1425 OG1 THR A 91 -26.190 18.132 4.991 1.00 0.00 O ATOM 1426 CG2 THR A 91 -25.836 20.238 3.871 1.00 0.00 C ATOM 0 H THR A 91 -22.572 17.609 4.438 1.00 0.00 H new ATOM 0 HA THR A 91 -24.867 17.801 2.646 1.00 0.00 H new ATOM 0 HB THR A 91 -24.523 19.350 5.235 1.00 0.00 H new ATOM 0 HG1 THR A 91 -26.005 17.210 4.715 1.00 0.00 H new ATOM 0 HG21 THR A 91 -26.458 20.707 4.633 1.00 0.00 H new ATOM 0 HG22 THR A 91 -25.067 20.940 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 91 -26.455 19.960 3.018 1.00 0.00 H new ATOM 1434 N LYS A 92 -23.573 20.018 1.792 1.00 0.00 N ATOM 1435 CA LYS A 92 -22.686 21.167 1.481 1.00 0.00 C ATOM 1436 C LYS A 92 -22.625 22.314 2.488 1.00 0.00 C ATOM 1437 O LYS A 92 -21.545 22.742 2.893 1.00 0.00 O ATOM 1438 CB LYS A 92 -22.816 21.692 0.120 1.00 0.00 C ATOM 1439 CG LYS A 92 -21.906 22.881 -0.059 1.00 0.00 C ATOM 1440 CD LYS A 92 -21.883 23.362 -1.445 1.00 0.00 C ATOM 1441 CE LYS A 92 -23.224 23.863 -1.912 1.00 0.00 C ATOM 1442 NZ LYS A 92 -23.162 24.348 -3.303 1.00 0.00 N ATOM 0 H LYS A 92 -24.384 19.900 1.185 1.00 0.00 H new ATOM 0 HA LYS A 92 -21.722 20.667 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -22.563 20.917 -0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -23.849 21.982 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -22.233 23.687 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -20.895 22.611 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -21.150 24.164 -1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -21.554 22.555 -2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -23.960 23.062 -1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -23.561 24.668 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -24.101 24.686 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -22.477 25.128 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -22.864 23.572 -3.928 1.00 0.00 H new ATOM 1456 N GLY A 93 -23.763 22.752 2.901 1.00 0.00 N ATOM 1457 CA GLY A 93 -23.841 23.899 3.760 1.00 0.00 C ATOM 1458 C GLY A 93 -23.911 23.518 5.203 1.00 0.00 C ATOM 1459 O GLY A 93 -24.891 23.791 5.878 1.00 0.00 O ATOM 0 H GLY A 93 -24.662 22.336 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -22.971 24.534 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -24.720 24.488 3.498 1.00 0.00 H new ATOM 1463 N TYR A 94 -22.872 22.834 5.666 1.00 0.00 N ATOM 1464 CA TYR A 94 -22.857 22.316 7.039 1.00 0.00 C ATOM 1465 C TYR A 94 -21.411 22.287 7.534 1.00 0.00 C ATOM 1466 O TYR A 94 -20.482 22.472 6.734 1.00 0.00 O ATOM 1467 CB TYR A 94 -23.373 20.868 7.084 1.00 0.00 C ATOM 1468 CG TYR A 94 -22.290 19.855 6.824 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -21.673 19.770 5.626 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -21.822 19.035 7.861 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -20.625 18.882 5.417 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -20.785 18.180 7.656 1.00 0.00 C ATOM 1473 CZ TYR A 94 -20.190 18.102 6.429 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.165 17.234 6.222 1.00 0.00 O ATOM 0 H TYR A 94 -22.035 22.624 5.122 1.00 0.00 H new ATOM 0 HA TYR A 94 -23.490 22.957 7.653 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -23.817 20.676 8.060 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -24.164 20.746 6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -22.000 20.404 4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -22.290 19.083 8.833 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -20.159 18.816 4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -20.430 17.560 8.466 1.00 0.00 H new ATOM 0 HH TYR A 94 -18.367 17.730 5.944 1.00 0.00 H new ATOM 1484 N ARG A 95 -21.214 22.086 8.808 1.00 0.00 N ATOM 1485 CA ARG A 95 -19.913 21.972 9.333 1.00 0.00 C ATOM 1486 C ARG A 95 -19.688 20.560 9.848 1.00 0.00 C ATOM 1487 O ARG A 95 -20.575 19.969 10.430 1.00 0.00 O ATOM 1488 CB ARG A 95 -19.661 23.007 10.415 1.00 0.00 C ATOM 1489 CG ARG A 95 -18.265 22.944 10.919 1.00 0.00 C ATOM 1490 CD ARG A 95 -17.957 24.002 11.976 1.00 0.00 C ATOM 1491 NE ARG A 95 -16.536 23.989 12.332 1.00 0.00 N ATOM 1492 CZ ARG A 95 -16.004 23.274 13.311 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -16.780 22.758 14.268 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -14.687 23.143 13.381 1.00 0.00 N ATOM 0 H ARG A 95 -21.961 21.999 9.497 1.00 0.00 H new ATOM 0 HA ARG A 95 -19.196 22.168 8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.861 24.003 10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -20.354 22.847 11.241 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.082 21.955 11.340 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.578 23.066 10.082 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -18.233 24.987 11.601 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -18.560 23.819 12.865 1.00 0.00 H new ATOM 0 HE ARG A 95 -15.908 24.576 11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -17.788 22.914 14.247 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.365 22.208 15.020 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.092 23.591 12.684 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.268 22.594 14.132 1.00 0.00 H new ATOM 1508 N LEU A 96 -18.565 19.992 9.551 1.00 0.00 N ATOM 1509 CA LEU A 96 -18.252 18.687 10.112 1.00 0.00 C ATOM 1510 C LEU A 96 -17.303 18.893 11.291 1.00 0.00 C ATOM 1511 O LEU A 96 -16.246 19.496 11.135 1.00 0.00 O ATOM 1512 CB LEU A 96 -17.508 17.855 9.084 1.00 0.00 C ATOM 1513 CG LEU A 96 -17.297 16.434 9.493 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -18.611 15.752 9.587 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -16.397 15.725 8.572 1.00 0.00 C ATOM 0 H LEU A 96 -17.852 20.388 8.938 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.174 18.189 10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.062 17.874 8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.539 18.315 8.891 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.813 16.423 10.470 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.462 14.714 9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -19.231 16.257 10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.107 15.783 8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.271 14.695 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.824 15.731 7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -15.427 16.222 8.556 1.00 0.00 H new ATOM 1527 N ILE A 97 -17.693 18.420 12.471 1.00 0.00 N ATOM 1528 CA ILE A 97 -16.877 18.624 13.671 1.00 0.00 C ATOM 1529 C ILE A 97 -15.524 17.906 13.620 1.00 0.00 C ATOM 1530 O ILE A 97 -14.484 18.474 13.972 1.00 0.00 O ATOM 1531 CB ILE A 97 -17.617 18.201 14.960 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -18.978 18.910 15.072 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -16.755 18.538 16.184 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -18.872 20.414 15.123 1.00 0.00 C ATOM 0 H ILE A 97 -18.556 17.899 12.625 1.00 0.00 H new ATOM 0 HA ILE A 97 -16.691 19.698 13.693 1.00 0.00 H new ATOM 0 HB ILE A 97 -17.793 17.126 14.919 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.597 18.626 14.221 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -19.488 18.559 15.969 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -17.279 18.239 17.092 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -15.807 18.004 16.120 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -16.566 19.611 16.211 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -19.869 20.847 15.202 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -18.280 20.708 15.990 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -18.390 20.776 14.215 1.00 0.00 H new ATOM 1546 N GLY A 98 -15.545 16.650 13.176 1.00 0.00 N ATOM 1547 CA GLY A 98 -14.351 15.839 13.229 1.00 0.00 C ATOM 1548 C GLY A 98 -13.706 15.626 11.894 1.00 0.00 C ATOM 1549 O GLY A 98 -13.668 16.541 11.052 1.00 0.00 O ATOM 0 H GLY A 98 -16.365 16.187 12.784 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.632 16.311 13.899 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -14.600 14.870 13.661 1.00 0.00 H new ATOM 1553 N SER A 99 -13.196 14.425 11.672 1.00 0.00 N ATOM 1554 CA SER A 99 -12.484 14.159 10.459 1.00 0.00 C ATOM 1555 C SER A 99 -13.413 14.215 9.234 1.00 0.00 C ATOM 1556 O SER A 99 -14.356 13.440 9.104 1.00 0.00 O ATOM 1557 CB SER A 99 -11.846 12.767 10.601 1.00 0.00 C ATOM 1558 OG SER A 99 -11.227 12.622 11.877 1.00 0.00 O ATOM 0 H SER A 99 -13.267 13.636 12.315 1.00 0.00 H new ATOM 0 HA SER A 99 -11.720 14.920 10.299 1.00 0.00 H new ATOM 0 HB2 SER A 99 -12.608 11.998 10.472 1.00 0.00 H new ATOM 0 HB3 SER A 99 -11.107 12.619 9.814 1.00 0.00 H new ATOM 0 HG SER A 99 -10.829 11.729 11.948 1.00 0.00 H new ATOM 1564 N SER A 100 -13.043 15.105 8.300 1.00 0.00 N ATOM 1565 CA SER A 100 -13.705 15.292 7.024 1.00 0.00 C ATOM 1566 C SER A 100 -13.154 14.340 5.977 1.00 0.00 C ATOM 1567 O SER A 100 -13.644 14.278 4.850 1.00 0.00 O ATOM 1568 CB SER A 100 -13.600 16.775 6.572 1.00 0.00 C ATOM 1569 OG SER A 100 -12.249 17.185 6.408 1.00 0.00 O ATOM 0 H SER A 100 -12.247 15.729 8.428 1.00 0.00 H new ATOM 0 HA SER A 100 -14.762 15.055 7.143 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.136 16.907 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.086 17.414 7.309 1.00 0.00 H new ATOM 0 HG SER A 100 -12.224 18.122 6.122 1.00 0.00 H new ATOM 1575 N SER A 101 -12.139 13.622 6.359 1.00 0.00 N ATOM 1576 CA SER A 101 -11.540 12.634 5.529 1.00 0.00 C ATOM 1577 C SER A 101 -10.899 11.577 6.433 1.00 0.00 C ATOM 1578 O SER A 101 -10.604 11.865 7.599 1.00 0.00 O ATOM 1579 CB SER A 101 -10.481 13.299 4.636 1.00 0.00 C ATOM 1580 OG SER A 101 -9.570 14.060 5.399 1.00 0.00 O ATOM 0 H SER A 101 -11.700 13.713 7.275 1.00 0.00 H new ATOM 0 HA SER A 101 -12.283 12.161 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.941 12.534 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.971 13.941 3.904 1.00 0.00 H new ATOM 0 HG SER A 101 -8.907 14.470 4.804 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.668 10.415 5.903 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.032 9.319 6.633 1.00 0.00 C ATOM 1588 C ALA A 102 -9.004 8.670 5.739 1.00 0.00 C ATOM 1589 O ALA A 102 -9.202 8.583 4.525 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.078 8.307 7.040 1.00 0.00 C ATOM 0 H ALA A 102 -10.912 10.181 4.941 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.545 9.701 7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.602 7.491 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.819 8.787 7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.568 7.913 6.150 1.00 0.00 H new ATOM 1596 N THR A 103 -7.938 8.186 6.322 1.00 0.00 N ATOM 1597 CA THR A 103 -6.892 7.552 5.556 1.00 0.00 C ATOM 1598 C THR A 103 -6.695 6.100 6.047 1.00 0.00 C ATOM 1599 O THR A 103 -6.586 5.867 7.254 1.00 0.00 O ATOM 1600 CB THR A 103 -5.579 8.344 5.731 1.00 0.00 C ATOM 1601 OG1 THR A 103 -5.800 9.707 5.345 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.489 7.782 4.856 1.00 0.00 C ATOM 0 H THR A 103 -7.770 8.218 7.327 1.00 0.00 H new ATOM 0 HA THR A 103 -7.170 7.538 4.502 1.00 0.00 H new ATOM 0 HB THR A 103 -5.274 8.274 6.775 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.970 10.217 5.455 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.575 8.358 4.998 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.308 6.741 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.795 7.839 3.811 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.709 5.122 5.129 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.541 3.727 5.521 1.00 0.00 C ATOM 1612 C CYS A 104 -5.064 3.323 5.497 1.00 0.00 C ATOM 1613 O CYS A 104 -4.389 3.426 4.471 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.431 2.799 4.640 1.00 0.00 C ATOM 1615 SG CYS A 104 -7.610 1.062 5.218 1.00 0.00 S ATOM 0 H CYS A 104 -6.833 5.273 4.128 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.878 3.609 6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.425 3.242 4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.018 2.784 3.631 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.589 2.881 6.652 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.185 2.524 6.883 1.00 0.00 C ATOM 1622 C ILE A 105 -3.076 1.151 7.516 1.00 0.00 C ATOM 1623 O ILE A 105 -4.050 0.622 8.036 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.399 3.559 7.761 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -2.972 3.664 9.208 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.358 4.926 7.081 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.292 4.403 9.359 1.00 0.00 C ATOM 0 H ILE A 105 -5.176 2.756 7.476 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.723 2.527 5.896 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.377 3.192 7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.098 2.655 9.600 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.230 4.158 9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.808 5.628 7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.862 4.837 6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.375 5.290 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.587 4.410 10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.177 5.428 9.008 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.059 3.901 8.769 1.00 0.00 H new ATOM 1639 N ILE A 106 -1.897 0.579 7.466 1.00 0.00 N ATOM 1640 CA ILE A 106 -1.683 -0.740 8.052 1.00 0.00 C ATOM 1641 C ILE A 106 -1.528 -0.596 9.575 1.00 0.00 C ATOM 1642 O ILE A 106 -0.705 0.184 10.056 1.00 0.00 O ATOM 1643 CB ILE A 106 -0.336 -1.345 7.513 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.338 -1.527 5.994 1.00 0.00 C ATOM 1645 CG2 ILE A 106 0.007 -2.660 8.197 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -1.396 -2.458 5.517 1.00 0.00 C ATOM 0 H ILE A 106 -1.073 0.994 7.032 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.528 -1.379 7.796 1.00 0.00 H new ATOM 0 HB ILE A 106 0.436 -0.615 7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.476 -0.556 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.636 -1.901 5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.945 -3.045 7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.111 -2.496 9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.789 -3.383 8.016 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.343 -2.543 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.246 -3.440 5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.375 -2.074 5.804 1.00 0.00 H new ATOM 1658 N SER A 107 -2.361 -1.324 10.313 1.00 0.00 N ATOM 1659 CA SER A 107 -2.253 -1.372 11.763 1.00 0.00 C ATOM 1660 C SER A 107 -1.344 -2.524 12.145 1.00 0.00 C ATOM 1661 O SER A 107 -0.980 -2.714 13.308 1.00 0.00 O ATOM 1662 CB SER A 107 -3.647 -1.519 12.400 1.00 0.00 C ATOM 1663 OG SER A 107 -4.225 -2.782 12.111 1.00 0.00 O ATOM 0 H SER A 107 -3.118 -1.888 9.928 1.00 0.00 H new ATOM 0 HA SER A 107 -1.823 -0.443 12.137 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.569 -1.393 13.480 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.300 -0.727 12.033 1.00 0.00 H new ATOM 0 HG SER A 107 -4.234 -2.924 11.141 1.00 0.00 H new ATOM 1669 N GLY A 108 -0.990 -3.295 11.143 1.00 0.00 N ATOM 1670 CA GLY A 108 -0.197 -4.486 11.333 1.00 0.00 C ATOM 1671 C GLY A 108 -0.912 -5.668 10.753 1.00 0.00 C ATOM 1672 O GLY A 108 -0.669 -6.056 9.606 1.00 0.00 O ATOM 0 H GLY A 108 -1.244 -3.113 10.172 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.775 -4.367 10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.013 -4.646 12.395 1.00 0.00 H new ATOM 1676 N ASP A 109 -1.822 -6.239 11.540 1.00 0.00 N ATOM 1677 CA ASP A 109 -2.651 -7.386 11.103 1.00 0.00 C ATOM 1678 C ASP A 109 -3.562 -7.016 9.934 1.00 0.00 C ATOM 1679 O ASP A 109 -3.774 -7.808 9.018 1.00 0.00 O ATOM 1680 CB ASP A 109 -3.506 -7.932 12.259 1.00 0.00 C ATOM 1681 CG ASP A 109 -2.712 -8.694 13.311 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -1.544 -9.040 13.044 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -3.262 -8.964 14.394 1.00 0.00 O ATOM 0 H ASP A 109 -2.013 -5.931 12.493 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.958 -8.160 10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.022 -7.101 12.740 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.273 -8.590 11.851 1.00 0.00 H new ATOM 1688 N THR A 110 -4.115 -5.808 9.999 1.00 0.00 N ATOM 1689 CA THR A 110 -5.167 -5.394 9.093 1.00 0.00 C ATOM 1690 C THR A 110 -5.008 -3.915 8.681 1.00 0.00 C ATOM 1691 O THR A 110 -4.137 -3.207 9.191 1.00 0.00 O ATOM 1692 CB THR A 110 -6.545 -5.598 9.761 1.00 0.00 C ATOM 1693 OG1 THR A 110 -7.621 -5.161 8.892 1.00 0.00 O ATOM 1694 CG2 THR A 110 -6.614 -4.825 11.081 1.00 0.00 C ATOM 0 H THR A 110 -3.845 -5.097 10.679 1.00 0.00 H new ATOM 0 HA THR A 110 -5.096 -6.008 8.195 1.00 0.00 H new ATOM 0 HB THR A 110 -6.664 -6.664 9.954 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.481 -5.303 9.339 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.590 -4.977 11.541 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.835 -5.184 11.754 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.465 -3.762 10.889 1.00 0.00 H new ATOM 1702 N VAL A 111 -5.851 -3.465 7.771 1.00 0.00 N ATOM 1703 CA VAL A 111 -5.841 -2.085 7.353 1.00 0.00 C ATOM 1704 C VAL A 111 -7.077 -1.387 7.951 1.00 0.00 C ATOM 1705 O VAL A 111 -8.192 -1.882 7.879 1.00 0.00 O ATOM 1706 CB VAL A 111 -5.940 -1.960 5.797 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -4.687 -2.405 5.123 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.077 -2.794 5.306 1.00 0.00 C ATOM 0 H VAL A 111 -6.553 -4.042 7.308 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.909 -1.632 7.691 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.100 -0.909 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.798 -2.302 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.853 -1.790 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.492 -3.449 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.149 -2.709 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.908 -3.836 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.005 -2.447 5.759 1.00 0.00 H new ATOM 1718 N ILE A 112 -6.833 -0.262 8.608 1.00 0.00 N ATOM 1719 CA ILE A 112 -7.878 0.494 9.264 1.00 0.00 C ATOM 1720 C ILE A 112 -7.811 1.965 8.850 1.00 0.00 C ATOM 1721 O ILE A 112 -6.789 2.430 8.341 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.806 0.380 10.821 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.472 0.951 11.348 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -7.961 -1.063 11.246 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.384 1.025 12.866 1.00 0.00 C ATOM 0 H ILE A 112 -5.904 0.148 8.698 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.828 0.065 8.945 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.622 0.963 11.247 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.653 0.334 10.977 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.330 1.951 10.937 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.909 -1.130 12.333 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.925 -1.441 10.905 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.161 -1.659 10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.417 1.437 13.155 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -7.179 1.666 13.246 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.493 0.025 13.286 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.883 2.689 9.075 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.944 4.105 8.734 1.00 0.00 C ATOM 1739 C TRP A 113 -8.581 4.940 9.975 1.00 0.00 C ATOM 1740 O TRP A 113 -8.822 4.510 11.109 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.349 4.472 8.275 1.00 0.00 C ATOM 1742 CG TRP A 113 -10.785 3.807 6.994 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.576 2.718 6.924 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.524 4.198 5.631 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -11.786 2.370 5.624 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.174 3.256 4.810 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -9.813 5.221 5.021 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.127 3.316 3.407 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -9.771 5.284 3.631 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -10.426 4.334 2.848 1.00 0.00 C ATOM 0 H TRP A 113 -9.736 2.323 9.497 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.240 4.310 7.927 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.055 4.210 9.063 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.404 5.553 8.145 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.985 2.196 7.777 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.325 1.562 5.312 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.298 5.960 5.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.630 2.580 2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.222 6.081 3.151 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.374 4.410 1.772 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.967 6.096 9.760 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.492 6.967 10.862 1.00 0.00 C ATOM 1763 C ASP A 114 -8.610 7.828 11.466 1.00 0.00 C ATOM 1764 O ASP A 114 -8.386 8.585 12.415 1.00 0.00 O ATOM 1765 CB ASP A 114 -6.333 7.885 10.392 1.00 0.00 C ATOM 1766 CG ASP A 114 -6.767 8.970 9.394 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.895 8.881 8.860 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -5.986 9.904 9.147 1.00 0.00 O ATOM 0 H ASP A 114 -7.778 6.467 8.829 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.132 6.293 11.640 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.885 8.364 11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.559 7.271 9.933 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.812 7.732 10.909 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.948 8.507 11.435 1.00 0.00 C ATOM 1775 C GLN A 115 -11.454 8.016 12.797 1.00 0.00 C ATOM 1776 O GLN A 115 -11.629 6.814 13.020 1.00 0.00 O ATOM 1777 CB GLN A 115 -12.107 8.534 10.473 1.00 0.00 C ATOM 1778 CG GLN A 115 -13.305 9.280 11.020 1.00 0.00 C ATOM 1779 CD GLN A 115 -14.410 9.385 10.030 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -14.193 9.277 8.873 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -15.607 9.609 10.500 1.00 0.00 N ATOM 0 H GLN A 115 -10.031 7.139 10.108 1.00 0.00 H new ATOM 0 HA GLN A 115 -10.550 9.513 11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.789 9.000 9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -12.399 7.511 10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.669 8.772 11.913 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.998 10.280 11.325 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.752 9.696 11.506 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -16.397 9.697 9.861 1.00 0.00 H new ATOM 1790 N GLU A 116 -11.696 8.982 13.694 1.00 0.00 N ATOM 1791 CA GLU A 116 -12.248 8.715 15.056 1.00 0.00 C ATOM 1792 C GLU A 116 -13.695 8.164 15.057 1.00 0.00 C ATOM 1793 O GLU A 116 -13.978 7.179 15.738 1.00 0.00 O ATOM 1794 CB GLU A 116 -12.204 10.022 15.900 1.00 0.00 C ATOM 1795 CG GLU A 116 -10.794 10.510 16.283 1.00 0.00 C ATOM 1796 CD GLU A 116 -10.085 9.541 17.208 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -10.787 8.745 17.868 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -8.839 9.589 17.292 1.00 0.00 O ATOM 0 H GLU A 116 -11.520 9.970 13.510 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.618 7.938 15.489 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.705 10.813 15.342 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.777 9.865 16.814 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.201 10.647 15.379 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.867 11.484 16.767 1.00 0.00 H new ATOM 1805 N THR A 117 -14.580 8.751 14.257 1.00 0.00 N ATOM 1806 CA THR A 117 -15.996 8.353 14.226 1.00 0.00 C ATOM 1807 C THR A 117 -16.768 9.393 13.402 1.00 0.00 C ATOM 1808 O THR A 117 -16.289 10.504 13.245 1.00 0.00 O ATOM 1809 CB THR A 117 -16.598 8.286 15.692 1.00 0.00 C ATOM 1810 OG1 THR A 117 -17.674 7.335 15.769 1.00 0.00 O ATOM 1811 CG2 THR A 117 -17.098 9.644 16.148 1.00 0.00 C ATOM 0 H THR A 117 -14.346 9.509 13.616 1.00 0.00 H new ATOM 0 HA THR A 117 -16.084 7.363 13.779 1.00 0.00 H new ATOM 0 HB THR A 117 -15.791 7.967 16.351 1.00 0.00 H new ATOM 0 HG1 THR A 117 -18.026 7.312 16.683 1.00 0.00 H new ATOM 0 HG21 THR A 117 -17.504 9.562 17.156 1.00 0.00 H new ATOM 0 HG22 THR A 117 -16.272 10.355 16.146 1.00 0.00 H new ATOM 0 HG23 THR A 117 -17.878 9.991 15.470 1.00 0.00 H new ATOM 1819 N PRO A 118 -17.897 9.022 12.747 1.00 0.00 N ATOM 1820 CA PRO A 118 -18.713 9.983 11.980 1.00 0.00 C ATOM 1821 C PRO A 118 -19.329 11.065 12.857 1.00 0.00 C ATOM 1822 O PRO A 118 -19.770 10.803 13.971 1.00 0.00 O ATOM 1823 CB PRO A 118 -19.793 9.117 11.340 1.00 0.00 C ATOM 1824 CG PRO A 118 -19.292 7.710 11.480 1.00 0.00 C ATOM 1825 CD PRO A 118 -18.479 7.685 12.726 1.00 0.00 C ATOM 0 HA PRO A 118 -18.112 10.530 11.254 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.752 9.247 11.841 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -19.942 9.381 10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.121 7.005 11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.692 7.422 10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -19.092 7.495 13.607 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.714 6.909 12.696 1.00 0.00 H new ATOM 1833 N ILE A 119 -19.387 12.273 12.325 1.00 0.00 N ATOM 1834 CA ILE A 119 -20.001 13.411 13.020 1.00 0.00 C ATOM 1835 C ILE A 119 -20.740 14.277 11.987 1.00 0.00 C ATOM 1836 O ILE A 119 -20.466 14.173 10.826 1.00 0.00 O ATOM 1837 CB ILE A 119 -18.948 14.321 13.738 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -18.060 13.517 14.706 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -19.670 15.414 14.522 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -16.688 13.202 14.134 1.00 0.00 C ATOM 0 H ILE A 119 -19.014 12.501 11.403 1.00 0.00 H new ATOM 0 HA ILE A 119 -20.673 13.004 13.776 1.00 0.00 H new ATOM 0 HB ILE A 119 -18.309 14.756 12.970 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -17.941 14.079 15.632 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -18.563 12.585 14.962 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -18.937 16.048 15.022 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -20.266 16.019 13.839 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -20.323 14.957 15.266 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -16.111 12.634 14.864 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -16.800 12.614 13.223 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -16.168 14.132 13.904 1.00 0.00 H new ATOM 1852 N CYS A 120 -21.745 15.018 12.401 1.00 0.00 N ATOM 1853 CA CYS A 120 -22.349 16.053 11.559 1.00 0.00 C ATOM 1854 C CYS A 120 -22.769 17.266 12.407 1.00 0.00 C ATOM 1855 O CYS A 120 -23.633 17.126 13.254 1.00 0.00 O ATOM 1856 CB CYS A 120 -23.543 15.493 10.705 1.00 0.00 C ATOM 1857 SG CYS A 120 -23.044 14.229 9.474 1.00 0.00 S ATOM 0 H CYS A 120 -22.171 14.929 13.323 1.00 0.00 H new ATOM 0 HA CYS A 120 -21.593 16.388 10.849 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -24.285 15.060 11.376 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -24.026 16.321 10.186 1.00 0.00 H new ATOM 1862 N ASP A 121 -22.127 18.467 12.211 1.00 0.00 N ATOM 1863 CA ASP A 121 -22.551 19.658 12.964 1.00 0.00 C ATOM 1864 C ASP A 121 -23.961 20.049 12.580 1.00 0.00 C ATOM 1865 O ASP A 121 -24.767 20.400 13.435 1.00 0.00 O ATOM 1866 CB ASP A 121 -21.602 20.862 12.822 1.00 0.00 C ATOM 1867 CG ASP A 121 -21.907 21.977 13.825 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -22.558 21.703 14.846 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -21.490 23.124 13.581 1.00 0.00 O ATOM 0 H ASP A 121 -21.352 18.614 11.565 1.00 0.00 H new ATOM 0 HA ASP A 121 -22.517 19.375 14.016 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -20.574 20.527 12.959 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -21.675 21.260 11.810 1.00 0.00 H new ATOM 1874 N ARG A 122 -24.230 19.942 11.248 1.00 0.00 N ATOM 1875 CA ARG A 122 -25.547 20.191 10.608 1.00 0.00 C ATOM 1876 C ARG A 122 -26.632 20.670 11.601 1.00 0.00 C ATOM 1877 O ARG A 122 -27.414 19.814 12.070 1.00 0.00 O ATOM 1878 CB ARG A 122 -26.002 18.922 9.874 1.00 0.00 C ATOM 1879 CG ARG A 122 -27.304 19.072 9.103 1.00 0.00 C ATOM 1880 CD ARG A 122 -27.669 17.783 8.394 1.00 0.00 C ATOM 1881 NE ARG A 122 -27.910 16.682 9.338 1.00 0.00 N ATOM 1882 CZ ARG A 122 -29.082 16.393 9.939 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -30.147 17.168 9.775 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -29.170 15.312 10.722 1.00 0.00 N ATOM 0 H ARG A 122 -23.514 19.672 10.574 1.00 0.00 H new ATOM 0 HA ARG A 122 -25.414 21.008 9.899 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -25.217 18.617 9.181 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -26.116 18.118 10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -28.105 19.354 9.787 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -27.208 19.877 8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -28.561 17.943 7.789 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -26.866 17.505 7.711 1.00 0.00 H new ATOM 0 HE ARG A 122 -27.116 16.080 9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -30.087 17.999 9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -31.025 16.933 10.238 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -28.355 14.715 10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -30.052 15.085 11.181 1.00 0.00 H new