USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=31 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= -0.837 X(o=-0.46,f=-0.51!) USER MOD Set 1.2: A 101 SER OG : rot 44:sc= 0.373 USER MOD Set 2.1: A 65 ASN : amide:sc= 0.995 X(o=1.9,f=1.6) USER MOD Set 2.2: A 88 TYR OH : rot 0:sc= 0.865 USER MOD Set 3.1: A 61 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.361) USER MOD Set 3.2: A 110 THR OG1 : rot 180:sc= -0.0593 USER MOD Single : A 1 GLN :FLIP amide:sc= -0.689 F(o=-2!,f=-0.69) USER MOD Single : A 1 GLN N :NH3+ -130:sc= -0.0104 (180deg=-0.321) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.13 F(o=-1.6!,f=-0.13) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 15 GLN :FLIP amide:sc= -7.06! C(o=-7.8!,f=-7.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -133:sc= -1.22 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0189 K(o=-0.019,f=-0.97) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.399 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 71:sc= 0.00254 USER MOD Single : A 42 SER OG : rot -107:sc= -1.97! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 49 SER OG : rot 9:sc= 0.979 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.003 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00291 USER MOD Single : A 71 ASN : amide:sc= -6.19! C(o=-6.2!,f=-7.9!) USER MOD Single : A 73 MET CE :methyl -177:sc= -0.672 (180deg=-0.752) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.0433 F(o=-1,f=-0.043) USER MOD Single : A 84 SER OG : rot 88:sc= -0.245! USER MOD Single : A 87 LYS NZ :NH3+ -143:sc= -0.589 (180deg=-2.7!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.112 USER MOD Single : A 91 THR OG1 : rot 6:sc= 1.03 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 50:sc= -0.787 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -47:sc= 0.847 USER MOD Single : A 115 GLN : amide:sc= -5.31! C(o=-5.3!,f=-5.9!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 23.702 -7.263 -16.970 1.00 0.00 N ATOM 2 CA GLN A 1 22.904 -8.496 -17.066 1.00 0.00 C ATOM 3 C GLN A 1 21.396 -8.301 -16.750 1.00 0.00 C ATOM 4 O GLN A 1 20.551 -8.384 -17.632 1.00 0.00 O ATOM 5 CB GLN A 1 23.474 -9.491 -16.069 1.00 0.00 C ATOM 6 CG GLN A 1 24.902 -9.899 -16.378 1.00 0.00 C ATOM 7 CD GLN A 1 25.839 -9.619 -15.215 1.00 0.00 C ATOM 8 OE1 GLN A 1 25.572 -8.538 -14.493 1.00 0.00 O flip ATOM 9 NE2 GLN A 1 26.801 -10.340 -14.989 1.00 0.00 N flip ATOM 0 H1 GLN A 1 24.274 -7.152 -17.831 1.00 0.00 H new ATOM 0 H2 GLN A 1 23.067 -6.446 -16.868 1.00 0.00 H new ATOM 0 H3 GLN A 1 24.329 -7.319 -16.142 1.00 0.00 H new ATOM 0 HA GLN A 1 22.964 -8.840 -18.098 1.00 0.00 H new ATOM 0 HB2 GLN A 1 23.436 -9.056 -15.070 1.00 0.00 H new ATOM 0 HB3 GLN A 1 22.844 -10.381 -16.054 1.00 0.00 H new ATOM 0 HG2 GLN A 1 24.931 -10.962 -16.619 1.00 0.00 H new ATOM 0 HG3 GLN A 1 25.249 -9.362 -17.261 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.970 -11.162 -15.569 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.434 -10.119 -14.221 1.00 0.00 H new ATOM 18 N CYS A 2 21.101 -8.000 -15.486 1.00 0.00 N ATOM 19 CA CYS A 2 19.724 -7.953 -14.967 1.00 0.00 C ATOM 20 C CYS A 2 18.991 -6.720 -15.468 1.00 0.00 C ATOM 21 O CYS A 2 17.770 -6.697 -15.564 1.00 0.00 O ATOM 22 CB CYS A 2 19.813 -7.940 -13.473 1.00 0.00 C ATOM 23 SG CYS A 2 20.951 -9.220 -12.870 1.00 0.00 S ATOM 0 H CYS A 2 21.809 -7.780 -14.786 1.00 0.00 H new ATOM 0 HA CYS A 2 19.161 -8.819 -15.314 1.00 0.00 H new ATOM 0 HB2 CYS A 2 20.152 -6.961 -13.135 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.823 -8.100 -13.046 1.00 0.00 H new ATOM 28 N ASN A 3 19.777 -5.682 -15.738 1.00 0.00 N ATOM 29 CA ASN A 3 19.281 -4.395 -16.222 1.00 0.00 C ATOM 30 C ASN A 3 18.278 -3.750 -15.299 1.00 0.00 C ATOM 31 O ASN A 3 17.381 -3.044 -15.759 1.00 0.00 O ATOM 32 CB ASN A 3 18.725 -4.518 -17.640 1.00 0.00 C ATOM 33 CG ASN A 3 19.816 -4.723 -18.663 1.00 0.00 C ATOM 34 OD1 ASN A 3 21.002 -4.218 -18.368 1.00 0.00 O flip ATOM 35 ND2 ASN A 3 19.592 -5.315 -19.725 1.00 0.00 N flip ATOM 0 H ASN A 3 20.790 -5.710 -15.626 1.00 0.00 H new ATOM 0 HA ASN A 3 20.143 -3.728 -16.241 1.00 0.00 H new ATOM 0 HB2 ASN A 3 18.026 -5.354 -17.684 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.162 -3.618 -17.887 1.00 0.00 H new ATOM 0 HD21 ASN A 3 18.662 -5.690 -19.914 1.00 0.00 H new ATOM 0 HD22 ASN A 3 20.337 -5.429 -20.412 1.00 0.00 H new ATOM 42 N ALA A 4 18.469 -3.950 -13.986 1.00 0.00 N ATOM 43 CA ALA A 4 17.632 -3.318 -12.957 1.00 0.00 C ATOM 44 C ALA A 4 16.181 -3.814 -12.999 1.00 0.00 C ATOM 45 O ALA A 4 15.476 -3.599 -13.974 1.00 0.00 O ATOM 46 CB ALA A 4 17.694 -1.820 -13.115 1.00 0.00 C ATOM 0 H ALA A 4 19.203 -4.550 -13.610 1.00 0.00 H new ATOM 0 HA ALA A 4 18.025 -3.600 -11.980 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.074 -1.348 -12.353 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.725 -1.485 -13.003 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.328 -1.543 -14.104 1.00 0.00 H new ATOM 52 N PRO A 5 15.712 -4.482 -11.932 1.00 0.00 N ATOM 53 CA PRO A 5 14.366 -5.073 -11.940 1.00 0.00 C ATOM 54 C PRO A 5 13.224 -4.037 -12.017 1.00 0.00 C ATOM 55 O PRO A 5 12.436 -4.059 -12.954 1.00 0.00 O ATOM 56 CB PRO A 5 14.309 -5.836 -10.612 1.00 0.00 C ATOM 57 CG PRO A 5 15.370 -5.238 -9.743 1.00 0.00 C ATOM 58 CD PRO A 5 16.433 -4.697 -10.655 1.00 0.00 C ATOM 0 HA PRO A 5 14.217 -5.692 -12.825 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.327 -5.740 -10.149 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.486 -6.900 -10.766 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.956 -4.445 -9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.785 -5.988 -9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.857 -3.769 -10.272 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.258 -5.400 -10.772 1.00 0.00 H new ATOM 66 N GLU A 6 13.185 -3.136 -11.023 1.00 0.00 N ATOM 67 CA GLU A 6 12.241 -2.000 -10.936 1.00 0.00 C ATOM 68 C GLU A 6 12.093 -1.586 -9.490 1.00 0.00 C ATOM 69 O GLU A 6 12.849 -2.039 -8.624 1.00 0.00 O ATOM 70 CB GLU A 6 10.822 -2.270 -11.527 1.00 0.00 C ATOM 71 CG GLU A 6 9.976 -3.304 -10.788 1.00 0.00 C ATOM 72 CD GLU A 6 8.606 -3.463 -11.425 1.00 0.00 C ATOM 73 OE1 GLU A 6 8.523 -3.412 -12.675 1.00 0.00 O ATOM 74 OE2 GLU A 6 7.610 -3.598 -10.682 1.00 0.00 O ATOM 0 H GLU A 6 13.827 -3.175 -10.231 1.00 0.00 H new ATOM 0 HA GLU A 6 12.677 -1.212 -11.550 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.273 -1.328 -11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.936 -2.595 -12.561 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.492 -4.264 -10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.861 -3.004 -9.746 1.00 0.00 H new ATOM 81 N TRP A 7 11.130 -0.736 -9.229 1.00 0.00 N ATOM 82 CA TRP A 7 10.818 -0.356 -7.881 1.00 0.00 C ATOM 83 C TRP A 7 9.549 -1.041 -7.414 1.00 0.00 C ATOM 84 O TRP A 7 8.499 -0.934 -8.047 1.00 0.00 O ATOM 85 CB TRP A 7 10.696 1.171 -7.762 1.00 0.00 C ATOM 86 CG TRP A 7 10.162 1.614 -6.437 1.00 0.00 C ATOM 87 CD1 TRP A 7 10.837 1.695 -5.257 1.00 0.00 C ATOM 88 CD2 TRP A 7 8.825 2.067 -6.166 1.00 0.00 C ATOM 89 NE1 TRP A 7 9.995 2.138 -4.264 1.00 0.00 N ATOM 90 CE2 TRP A 7 8.764 2.382 -4.798 1.00 0.00 C ATOM 91 CE3 TRP A 7 7.670 2.232 -6.950 1.00 0.00 C ATOM 92 CZ2 TRP A 7 7.606 2.847 -4.194 1.00 0.00 C ATOM 93 CZ3 TRP A 7 6.517 2.700 -6.346 1.00 0.00 C ATOM 94 CH2 TRP A 7 6.494 3.003 -4.981 1.00 0.00 C ATOM 0 H TRP A 7 10.548 -0.294 -9.940 1.00 0.00 H new ATOM 0 HA TRP A 7 11.634 -0.679 -7.235 1.00 0.00 H new ATOM 0 HB2 TRP A 7 11.676 1.622 -7.922 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.043 1.540 -8.553 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.880 1.448 -5.121 1.00 0.00 H new ATOM 0 HE1 TRP A 7 10.250 2.264 -3.285 1.00 0.00 H new ATOM 0 HE3 TRP A 7 7.683 1.998 -8.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.581 3.079 -3.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.623 2.833 -6.936 1.00 0.00 H new ATOM 0 HH2 TRP A 7 5.580 3.368 -4.537 1.00 0.00 H new ATOM 105 N LEU A 8 9.664 -1.713 -6.287 1.00 0.00 N ATOM 106 CA LEU A 8 8.566 -2.416 -5.691 1.00 0.00 C ATOM 107 C LEU A 8 8.089 -1.610 -4.492 1.00 0.00 C ATOM 108 O LEU A 8 8.823 -1.436 -3.533 1.00 0.00 O ATOM 109 CB LEU A 8 9.021 -3.818 -5.252 1.00 0.00 C ATOM 110 CG LEU A 8 7.916 -4.850 -5.017 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.181 -5.134 -6.308 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.496 -6.139 -4.467 1.00 0.00 C ATOM 0 H LEU A 8 10.535 -1.782 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 8 7.752 -2.534 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.699 -4.210 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.596 -3.718 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 8 7.217 -4.440 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.398 -5.870 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.734 -4.213 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.881 -5.524 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.694 -6.860 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.214 -6.547 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.997 -5.938 -3.520 1.00 0.00 H new ATOM 124 N PRO A 9 6.847 -1.102 -4.534 1.00 0.00 N ATOM 125 CA PRO A 9 6.325 -0.221 -3.473 1.00 0.00 C ATOM 126 C PRO A 9 6.370 -0.906 -2.114 1.00 0.00 C ATOM 127 O PRO A 9 6.529 -0.270 -1.066 1.00 0.00 O ATOM 128 CB PRO A 9 4.830 -0.075 -3.827 1.00 0.00 C ATOM 129 CG PRO A 9 4.633 -0.648 -5.193 1.00 0.00 C ATOM 130 CD PRO A 9 5.914 -1.275 -5.651 1.00 0.00 C ATOM 0 HA PRO A 9 6.895 0.707 -3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.211 -0.599 -3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.531 0.973 -3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.835 -1.391 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.327 0.134 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.774 -2.330 -5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.288 -0.793 -6.554 1.00 0.00 H new ATOM 138 N PHE A 10 6.214 -2.190 -2.178 1.00 0.00 N ATOM 139 CA PHE A 10 6.097 -3.056 -1.029 1.00 0.00 C ATOM 140 C PHE A 10 7.416 -3.040 -0.269 1.00 0.00 C ATOM 141 O PHE A 10 7.458 -3.030 0.959 1.00 0.00 O ATOM 142 CB PHE A 10 5.929 -4.463 -1.515 1.00 0.00 C ATOM 143 CG PHE A 10 4.797 -4.652 -2.469 1.00 0.00 C ATOM 144 CD1 PHE A 10 3.722 -3.768 -2.546 1.00 0.00 C ATOM 145 CD2 PHE A 10 4.873 -5.682 -3.368 1.00 0.00 C ATOM 146 CE1 PHE A 10 2.744 -3.941 -3.502 1.00 0.00 C ATOM 147 CE2 PHE A 10 3.911 -5.861 -4.329 1.00 0.00 C ATOM 148 CZ PHE A 10 2.839 -4.990 -4.398 1.00 0.00 C ATOM 0 H PHE A 10 6.161 -2.692 -3.064 1.00 0.00 H new ATOM 0 HA PHE A 10 5.263 -2.728 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.853 -4.781 -1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.778 -5.116 -0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.655 -2.943 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.707 -6.367 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.907 -3.260 -3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.990 -6.679 -5.029 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.077 -5.129 -5.151 1.00 0.00 H new ATOM 158 N ALA A 11 8.499 -3.036 -1.062 1.00 0.00 N ATOM 159 CA ALA A 11 9.811 -3.364 -0.578 1.00 0.00 C ATOM 160 C ALA A 11 10.849 -2.254 -0.737 1.00 0.00 C ATOM 161 O ALA A 11 10.858 -1.518 -1.721 1.00 0.00 O ATOM 162 CB ALA A 11 10.271 -4.609 -1.330 1.00 0.00 C ATOM 0 H ALA A 11 8.469 -2.802 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 11 9.733 -3.524 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.267 -4.892 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.576 -5.427 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.298 -4.399 -2.399 1.00 0.00 H new ATOM 168 N ARG A 12 11.729 -2.170 0.248 1.00 0.00 N ATOM 169 CA ARG A 12 12.840 -1.233 0.241 1.00 0.00 C ATOM 170 C ARG A 12 14.152 -2.014 0.406 1.00 0.00 C ATOM 171 O ARG A 12 14.716 -2.073 1.494 1.00 0.00 O ATOM 172 CB ARG A 12 12.673 -0.202 1.373 1.00 0.00 C ATOM 173 CG ARG A 12 13.793 0.843 1.481 1.00 0.00 C ATOM 174 CD ARG A 12 13.932 1.696 0.215 1.00 0.00 C ATOM 175 NE ARG A 12 14.698 1.023 -0.855 1.00 0.00 N ATOM 176 CZ ARG A 12 14.855 1.517 -2.094 1.00 0.00 C ATOM 177 NH1 ARG A 12 14.281 2.665 -2.432 1.00 0.00 N ATOM 178 NH2 ARG A 12 15.581 0.856 -2.990 1.00 0.00 N ATOM 0 H ARG A 12 11.691 -2.756 1.082 1.00 0.00 H new ATOM 0 HA ARG A 12 12.861 -0.693 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.726 0.318 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.604 -0.736 2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.596 1.494 2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.738 0.337 1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.939 1.946 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.422 2.636 0.469 1.00 0.00 H new ATOM 0 HE ARG A 12 15.135 0.127 -0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.719 3.174 -1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.402 3.038 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.021 -0.029 -2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.698 1.234 -3.930 1.00 0.00 H new ATOM 192 N PRO A 13 14.629 -2.641 -0.692 1.00 0.00 N ATOM 193 CA PRO A 13 15.827 -3.484 -0.685 1.00 0.00 C ATOM 194 C PRO A 13 17.065 -2.714 -0.313 1.00 0.00 C ATOM 195 O PRO A 13 17.213 -1.524 -0.626 1.00 0.00 O ATOM 196 CB PRO A 13 15.915 -4.062 -2.100 1.00 0.00 C ATOM 197 CG PRO A 13 14.585 -3.794 -2.708 1.00 0.00 C ATOM 198 CD PRO A 13 14.028 -2.582 -2.032 1.00 0.00 C ATOM 0 HA PRO A 13 15.758 -4.268 0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.713 -3.588 -2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.131 -5.130 -2.077 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.679 -3.627 -3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.921 -4.648 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.302 -1.667 -2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.939 -2.610 -1.987 1.00 0.00 H new ATOM 206 N THR A 14 17.968 -3.408 0.315 1.00 0.00 N ATOM 207 CA THR A 14 19.105 -2.802 0.973 1.00 0.00 C ATOM 208 C THR A 14 20.319 -2.713 0.050 1.00 0.00 C ATOM 209 O THR A 14 21.340 -2.140 0.415 1.00 0.00 O ATOM 210 CB THR A 14 19.514 -3.669 2.184 1.00 0.00 C ATOM 211 OG1 THR A 14 20.358 -4.748 1.749 1.00 0.00 O ATOM 212 CG2 THR A 14 18.299 -4.282 2.831 1.00 0.00 C ATOM 0 H THR A 14 17.942 -4.425 0.390 1.00 0.00 H new ATOM 0 HA THR A 14 18.807 -1.797 1.273 1.00 0.00 H new ATOM 0 HB THR A 14 20.036 -3.026 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.616 -5.294 2.521 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.607 -4.889 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.631 -3.491 3.172 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.779 -4.909 2.107 1.00 0.00 H new ATOM 220 N GLN A 15 20.199 -3.272 -1.135 1.00 0.00 N ATOM 221 CA GLN A 15 21.355 -3.441 -2.010 1.00 0.00 C ATOM 222 C GLN A 15 21.143 -2.615 -3.267 1.00 0.00 C ATOM 223 O GLN A 15 21.934 -1.779 -3.638 1.00 0.00 O ATOM 224 CB GLN A 15 21.352 -4.874 -2.442 1.00 0.00 C ATOM 225 CG GLN A 15 21.005 -5.832 -1.351 1.00 0.00 C ATOM 226 CD GLN A 15 20.306 -6.983 -1.967 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.017 -6.777 -2.211 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 20.892 -7.991 -2.312 1.00 0.00 N flip ATOM 0 H GLN A 15 19.320 -3.618 -1.520 1.00 0.00 H new ATOM 0 HA GLN A 15 22.274 -3.148 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.641 -4.996 -3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.336 -5.127 -2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.905 -6.164 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.369 -5.351 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.884 -8.102 -2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.392 -8.726 -2.813 1.00 0.00 H new ATOM 237 N LEU A 16 19.938 -2.730 -3.747 1.00 0.00 N ATOM 238 CA LEU A 16 19.476 -2.283 -5.049 1.00 0.00 C ATOM 239 C LEU A 16 19.584 -0.821 -5.291 1.00 0.00 C ATOM 240 O LEU A 16 19.890 -0.416 -6.402 1.00 0.00 O ATOM 241 CB LEU A 16 18.067 -2.837 -5.309 1.00 0.00 C ATOM 242 CG LEU A 16 17.318 -2.290 -6.504 1.00 0.00 C ATOM 243 CD1 LEU A 16 16.365 -3.325 -7.041 1.00 0.00 C ATOM 244 CD2 LEU A 16 16.516 -1.093 -6.020 1.00 0.00 C ATOM 0 H LEU A 16 19.192 -3.169 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 16 20.164 -2.695 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.145 -3.918 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.463 -2.655 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 16 18.017 -2.015 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.833 -2.918 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.923 -4.210 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.648 -3.597 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.959 -0.667 -6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.820 -1.411 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.193 -0.341 -5.614 1.00 0.00 H new ATOM 256 N THR A 17 19.297 -0.044 -4.317 1.00 0.00 N ATOM 257 CA THR A 17 19.278 1.370 -4.493 1.00 0.00 C ATOM 258 C THR A 17 20.600 1.873 -5.177 1.00 0.00 C ATOM 259 O THR A 17 20.535 2.720 -6.060 1.00 0.00 O ATOM 260 CB THR A 17 19.052 2.079 -3.122 1.00 0.00 C ATOM 261 OG1 THR A 17 18.845 3.477 -3.305 1.00 0.00 O ATOM 262 CG2 THR A 17 20.229 1.845 -2.173 1.00 0.00 C ATOM 0 H THR A 17 19.068 -0.361 -3.375 1.00 0.00 H new ATOM 0 HA THR A 17 18.450 1.624 -5.155 1.00 0.00 H new ATOM 0 HB THR A 17 18.159 1.645 -2.672 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.704 3.904 -2.434 1.00 0.00 H new ATOM 0 HG21 THR A 17 20.040 2.352 -1.227 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.346 0.776 -1.995 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.141 2.240 -2.620 1.00 0.00 H new ATOM 270 N ASP A 18 21.769 1.357 -4.770 1.00 0.00 N ATOM 271 CA ASP A 18 23.032 1.762 -5.418 1.00 0.00 C ATOM 272 C ASP A 18 23.473 0.739 -6.451 1.00 0.00 C ATOM 273 O ASP A 18 24.471 0.930 -7.140 1.00 0.00 O ATOM 274 CB ASP A 18 24.147 1.976 -4.396 1.00 0.00 C ATOM 275 CG ASP A 18 23.883 3.142 -3.465 1.00 0.00 C ATOM 276 OD1 ASP A 18 23.101 4.046 -3.835 1.00 0.00 O ATOM 277 OD2 ASP A 18 24.449 3.145 -2.350 1.00 0.00 O ATOM 0 H ASP A 18 21.870 0.677 -4.017 1.00 0.00 H new ATOM 0 HA ASP A 18 22.839 2.710 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.270 1.068 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.087 2.144 -4.922 1.00 0.00 H new ATOM 282 N GLU A 19 22.728 -0.339 -6.556 1.00 0.00 N ATOM 283 CA GLU A 19 23.078 -1.431 -7.403 1.00 0.00 C ATOM 284 C GLU A 19 21.882 -2.187 -7.891 1.00 0.00 C ATOM 285 O GLU A 19 21.425 -3.173 -7.330 1.00 0.00 O ATOM 286 CB GLU A 19 24.124 -2.299 -6.753 1.00 0.00 C ATOM 287 CG GLU A 19 23.807 -2.693 -5.357 1.00 0.00 C ATOM 288 CD GLU A 19 24.899 -3.508 -4.694 1.00 0.00 C ATOM 289 OE1 GLU A 19 25.858 -3.919 -5.389 1.00 0.00 O ATOM 290 OE2 GLU A 19 24.816 -3.730 -3.461 1.00 0.00 O ATOM 0 H GLU A 19 21.855 -0.473 -6.046 1.00 0.00 H new ATOM 0 HA GLU A 19 23.531 -1.024 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.255 -3.200 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.076 -1.769 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.627 -1.795 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 19 22.882 -3.269 -5.352 1.00 0.00 H new ATOM 297 N PHE A 20 21.363 -1.620 -8.893 1.00 0.00 N ATOM 298 CA PHE A 20 20.307 -2.139 -9.719 1.00 0.00 C ATOM 299 C PHE A 20 20.733 -3.412 -10.471 1.00 0.00 C ATOM 300 O PHE A 20 19.929 -4.325 -10.662 1.00 0.00 O ATOM 301 CB PHE A 20 19.849 -1.040 -10.661 1.00 0.00 C ATOM 302 CG PHE A 20 19.127 0.069 -9.947 1.00 0.00 C ATOM 303 CD1 PHE A 20 19.827 1.139 -9.425 1.00 0.00 C ATOM 304 CD2 PHE A 20 17.746 0.051 -9.814 1.00 0.00 C ATOM 305 CE1 PHE A 20 19.172 2.169 -8.776 1.00 0.00 C ATOM 306 CE2 PHE A 20 17.084 1.077 -9.166 1.00 0.00 C ATOM 307 CZ PHE A 20 17.801 2.137 -8.647 1.00 0.00 C ATOM 0 H PHE A 20 21.676 -0.700 -9.204 1.00 0.00 H new ATOM 0 HA PHE A 20 19.471 -2.442 -9.089 1.00 0.00 H new ATOM 0 HB2 PHE A 20 20.714 -0.629 -11.182 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.193 -1.467 -11.420 1.00 0.00 H new ATOM 0 HD1 PHE A 20 20.902 1.172 -9.525 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.181 -0.775 -10.222 1.00 0.00 H new ATOM 0 HE1 PHE A 20 19.734 2.997 -8.371 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.009 1.050 -9.066 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.287 2.940 -8.140 1.00 0.00 H new ATOM 317 N GLU A 21 21.981 -3.451 -10.943 1.00 0.00 N ATOM 318 CA GLU A 21 22.450 -4.609 -11.734 1.00 0.00 C ATOM 319 C GLU A 21 23.347 -5.567 -10.953 1.00 0.00 C ATOM 320 O GLU A 21 24.187 -5.146 -10.167 1.00 0.00 O ATOM 321 CB GLU A 21 23.144 -4.208 -13.019 1.00 0.00 C ATOM 322 CG GLU A 21 22.225 -3.578 -14.035 1.00 0.00 C ATOM 323 CD GLU A 21 22.954 -3.156 -15.280 1.00 0.00 C ATOM 324 OE1 GLU A 21 24.189 -3.346 -15.331 1.00 0.00 O ATOM 325 OE2 GLU A 21 22.289 -2.693 -16.226 1.00 0.00 O ATOM 0 H GLU A 21 22.676 -2.718 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 21 21.531 -5.140 -11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 21 23.946 -3.508 -12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 21 23.609 -5.090 -13.460 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.439 -4.286 -14.299 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.736 -2.711 -13.591 1.00 0.00 H new ATOM 332 N PHE A 22 23.154 -6.869 -11.211 1.00 0.00 N ATOM 333 CA PHE A 22 23.913 -7.943 -10.570 1.00 0.00 C ATOM 334 C PHE A 22 24.142 -9.103 -11.564 1.00 0.00 C ATOM 335 O PHE A 22 23.604 -9.097 -12.656 1.00 0.00 O ATOM 336 CB PHE A 22 23.144 -8.483 -9.347 1.00 0.00 C ATOM 337 CG PHE A 22 23.174 -7.631 -8.110 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.171 -7.798 -7.158 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.186 -6.695 -7.879 1.00 0.00 C ATOM 340 CE1 PHE A 22 24.178 -7.042 -6.006 1.00 0.00 C ATOM 341 CE2 PHE A 22 22.186 -5.942 -6.727 1.00 0.00 C ATOM 342 CZ PHE A 22 23.181 -6.116 -5.788 1.00 0.00 C ATOM 0 H PHE A 22 22.459 -7.205 -11.878 1.00 0.00 H new ATOM 0 HA PHE A 22 24.873 -7.538 -10.251 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.103 -8.630 -9.635 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.547 -9.464 -9.096 1.00 0.00 H new ATOM 0 HD1 PHE A 22 24.949 -8.528 -7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.404 -6.552 -8.610 1.00 0.00 H new ATOM 0 HE1 PHE A 22 24.963 -7.175 -5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 22 21.406 -5.214 -6.558 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.179 -5.527 -4.883 1.00 0.00 H new ATOM 352 N PRO A 23 25.037 -10.041 -11.231 1.00 0.00 N ATOM 353 CA PRO A 23 25.259 -11.293 -11.980 1.00 0.00 C ATOM 354 C PRO A 23 24.150 -12.369 -11.770 1.00 0.00 C ATOM 355 O PRO A 23 23.333 -12.273 -10.844 1.00 0.00 O ATOM 356 CB PRO A 23 26.602 -11.789 -11.500 1.00 0.00 C ATOM 357 CG PRO A 23 26.694 -11.305 -10.104 1.00 0.00 C ATOM 358 CD PRO A 23 25.945 -9.986 -10.054 1.00 0.00 C ATOM 0 HA PRO A 23 25.228 -11.103 -13.053 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.665 -12.876 -11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.413 -11.395 -12.112 1.00 0.00 H new ATOM 0 HG2 PRO A 23 26.256 -12.026 -9.414 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.734 -11.172 -9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.386 -9.879 -9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.627 -9.138 -10.115 1.00 0.00 H new ATOM 366 N ILE A 24 24.127 -13.372 -12.657 1.00 0.00 N ATOM 367 CA ILE A 24 23.207 -14.524 -12.534 1.00 0.00 C ATOM 368 C ILE A 24 23.514 -15.333 -11.305 1.00 0.00 C ATOM 369 O ILE A 24 24.669 -15.601 -10.975 1.00 0.00 O ATOM 370 CB ILE A 24 23.279 -15.481 -13.769 1.00 0.00 C ATOM 371 CG1 ILE A 24 22.756 -14.826 -15.026 1.00 0.00 C ATOM 372 CG2 ILE A 24 22.592 -16.818 -13.515 1.00 0.00 C ATOM 373 CD1 ILE A 24 23.072 -15.606 -16.285 1.00 0.00 C ATOM 0 H ILE A 24 24.736 -13.414 -13.474 1.00 0.00 H new ATOM 0 HA ILE A 24 22.206 -14.098 -12.471 1.00 0.00 H new ATOM 0 HB ILE A 24 24.337 -15.692 -13.925 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.676 -14.707 -14.943 1.00 0.00 H new ATOM 0 HG13 ILE A 24 23.182 -13.826 -15.110 1.00 0.00 H new ATOM 0 HG21 ILE A 24 22.672 -17.443 -14.404 1.00 0.00 H new ATOM 0 HG22 ILE A 24 23.072 -17.320 -12.675 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.540 -16.649 -13.284 1.00 0.00 H new ATOM 0 HD11 ILE A 24 22.668 -15.080 -17.150 1.00 0.00 H new ATOM 0 HD12 ILE A 24 24.152 -15.703 -16.391 1.00 0.00 H new ATOM 0 HD13 ILE A 24 22.623 -16.597 -16.221 1.00 0.00 H new ATOM 385 N GLY A 25 22.448 -15.689 -10.616 1.00 0.00 N ATOM 386 CA GLY A 25 22.561 -16.441 -9.398 1.00 0.00 C ATOM 387 C GLY A 25 22.807 -15.587 -8.180 1.00 0.00 C ATOM 388 O GLY A 25 23.297 -16.077 -7.165 1.00 0.00 O ATOM 0 H GLY A 25 21.491 -15.464 -10.887 1.00 0.00 H new ATOM 0 HA2 GLY A 25 21.647 -17.015 -9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.375 -17.159 -9.498 1.00 0.00 H new ATOM 392 N THR A 26 22.475 -14.314 -8.266 1.00 0.00 N ATOM 393 CA THR A 26 22.626 -13.446 -7.144 1.00 0.00 C ATOM 394 C THR A 26 21.268 -13.201 -6.544 1.00 0.00 C ATOM 395 O THR A 26 20.314 -12.853 -7.245 1.00 0.00 O ATOM 396 CB THR A 26 23.262 -12.106 -7.536 1.00 0.00 C ATOM 397 OG1 THR A 26 24.573 -12.344 -8.048 1.00 0.00 O ATOM 398 CG2 THR A 26 23.365 -11.182 -6.322 1.00 0.00 C ATOM 0 H THR A 26 22.101 -13.870 -9.105 1.00 0.00 H new ATOM 0 HA THR A 26 23.290 -13.925 -6.424 1.00 0.00 H new ATOM 0 HB THR A 26 22.637 -11.629 -8.291 1.00 0.00 H new ATOM 0 HG1 THR A 26 25.204 -11.717 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.819 -10.237 -6.621 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.369 -10.995 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.981 -11.654 -5.557 1.00 0.00 H new ATOM 406 N TYR A 27 21.172 -13.405 -5.269 1.00 0.00 N ATOM 407 CA TYR A 27 19.926 -13.287 -4.591 1.00 0.00 C ATOM 408 C TYR A 27 19.874 -11.945 -3.853 1.00 0.00 C ATOM 409 O TYR A 27 20.769 -11.601 -3.087 1.00 0.00 O ATOM 410 CB TYR A 27 19.848 -14.483 -3.612 1.00 0.00 C ATOM 411 CG TYR A 27 19.744 -15.861 -4.306 1.00 0.00 C ATOM 412 CD1 TYR A 27 20.872 -16.497 -4.837 1.00 0.00 C ATOM 413 CD2 TYR A 27 18.538 -16.535 -4.376 1.00 0.00 C ATOM 414 CE1 TYR A 27 20.779 -17.749 -5.426 1.00 0.00 C ATOM 415 CE2 TYR A 27 18.439 -17.784 -4.963 1.00 0.00 C ATOM 416 CZ TYR A 27 19.564 -18.385 -5.489 1.00 0.00 C ATOM 417 OH TYR A 27 19.477 -19.629 -6.076 1.00 0.00 O ATOM 0 H TYR A 27 21.958 -13.658 -4.670 1.00 0.00 H new ATOM 0 HA TYR A 27 19.078 -13.308 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.732 -14.475 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.984 -14.350 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 27 21.832 -16.004 -4.787 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.653 -16.075 -3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 27 21.660 -18.222 -5.834 1.00 0.00 H new ATOM 0 HE2 TYR A 27 17.484 -18.287 -5.009 1.00 0.00 H new ATOM 0 HH TYR A 27 18.550 -19.944 -6.040 1.00 0.00 H new ATOM 427 N LEU A 28 18.798 -11.210 -4.109 1.00 0.00 N ATOM 428 CA LEU A 28 18.558 -9.878 -3.534 1.00 0.00 C ATOM 429 C LEU A 28 17.653 -9.894 -2.333 1.00 0.00 C ATOM 430 O LEU A 28 16.674 -10.635 -2.276 1.00 0.00 O ATOM 431 CB LEU A 28 18.055 -8.844 -4.568 1.00 0.00 C ATOM 432 CG LEU A 28 19.125 -8.132 -5.411 1.00 0.00 C ATOM 433 CD1 LEU A 28 19.891 -9.109 -6.263 1.00 0.00 C ATOM 434 CD2 LEU A 28 18.493 -7.030 -6.254 1.00 0.00 C ATOM 0 H LEU A 28 18.052 -11.522 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 28 19.544 -9.558 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.368 -9.349 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.479 -8.085 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 28 19.841 -7.669 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.640 -8.574 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.385 -9.841 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.204 -9.621 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.264 -6.536 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.748 -7.464 -6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.014 -6.301 -5.600 1.00 0.00 H new ATOM 446 N ASN A 29 18.000 -9.065 -1.387 1.00 0.00 N ATOM 447 CA ASN A 29 17.287 -8.924 -0.162 1.00 0.00 C ATOM 448 C ASN A 29 16.209 -7.836 -0.305 1.00 0.00 C ATOM 449 O ASN A 29 16.506 -6.639 -0.403 1.00 0.00 O ATOM 450 CB ASN A 29 18.282 -8.489 0.923 1.00 0.00 C ATOM 451 CG ASN A 29 17.790 -8.766 2.338 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.075 -9.729 2.584 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.195 -7.931 3.281 1.00 0.00 N ATOM 0 H ASN A 29 18.813 -8.453 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 29 16.812 -9.870 0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.228 -9.007 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.481 -7.423 0.817 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.912 -8.079 4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.790 -7.139 3.039 1.00 0.00 H new ATOM 460 N TYR A 30 14.991 -8.301 -0.401 1.00 0.00 N ATOM 461 CA TYR A 30 13.766 -7.491 -0.388 1.00 0.00 C ATOM 462 C TYR A 30 12.988 -7.647 0.906 1.00 0.00 C ATOM 463 O TYR A 30 12.817 -8.760 1.393 1.00 0.00 O ATOM 464 CB TYR A 30 12.841 -7.843 -1.568 1.00 0.00 C ATOM 465 CG TYR A 30 13.171 -7.183 -2.884 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.454 -7.135 -3.401 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.151 -6.553 -3.589 1.00 0.00 C ATOM 468 CE1 TYR A 30 14.707 -6.469 -4.591 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.386 -5.902 -4.768 1.00 0.00 C ATOM 470 CZ TYR A 30 13.659 -5.855 -5.268 1.00 0.00 C ATOM 471 OH TYR A 30 13.898 -5.185 -6.437 1.00 0.00 O ATOM 0 H TYR A 30 14.800 -9.298 -0.495 1.00 0.00 H new ATOM 0 HA TYR A 30 14.093 -6.455 -0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.861 -8.923 -1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.820 -7.576 -1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.263 -7.619 -2.874 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.146 -6.579 -3.194 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.710 -6.428 -4.989 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.574 -5.429 -5.300 1.00 0.00 H new ATOM 0 HH TYR A 30 13.058 -4.816 -6.780 1.00 0.00 H new ATOM 481 N GLU A 31 12.535 -6.524 1.456 1.00 0.00 N ATOM 482 CA GLU A 31 11.706 -6.530 2.645 1.00 0.00 C ATOM 483 C GLU A 31 10.341 -5.917 2.336 1.00 0.00 C ATOM 484 O GLU A 31 10.272 -4.796 1.851 1.00 0.00 O ATOM 485 CB GLU A 31 12.310 -5.675 3.765 1.00 0.00 C ATOM 486 CG GLU A 31 13.634 -6.139 4.342 1.00 0.00 C ATOM 487 CD GLU A 31 14.835 -5.683 3.521 1.00 0.00 C ATOM 488 OE1 GLU A 31 14.644 -5.086 2.443 1.00 0.00 O ATOM 489 OE2 GLU A 31 15.969 -5.846 4.006 1.00 0.00 O ATOM 0 H GLU A 31 12.734 -5.593 1.089 1.00 0.00 H new ATOM 0 HA GLU A 31 11.628 -7.570 2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.441 -4.662 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.586 -5.619 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.732 -5.762 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.635 -7.227 4.404 1.00 0.00 H new ATOM 496 N CYS A 32 9.274 -6.622 2.639 1.00 0.00 N ATOM 497 CA CYS A 32 7.941 -6.037 2.507 1.00 0.00 C ATOM 498 C CYS A 32 7.513 -5.451 3.829 1.00 0.00 C ATOM 499 O CYS A 32 7.883 -5.959 4.885 1.00 0.00 O ATOM 500 CB CYS A 32 6.906 -7.053 2.037 1.00 0.00 C ATOM 501 SG CYS A 32 7.089 -7.569 0.303 1.00 0.00 S ATOM 0 H CYS A 32 9.292 -7.585 2.974 1.00 0.00 H new ATOM 0 HA CYS A 32 7.999 -5.256 1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.967 -7.936 2.674 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.911 -6.629 2.174 1.00 0.00 H new ATOM 506 N ARG A 33 6.765 -4.368 3.770 1.00 0.00 N ATOM 507 CA ARG A 33 6.301 -3.705 4.977 1.00 0.00 C ATOM 508 C ARG A 33 5.321 -4.588 5.727 1.00 0.00 C ATOM 509 O ARG A 33 4.786 -5.547 5.166 1.00 0.00 O ATOM 510 CB ARG A 33 5.652 -2.363 4.635 1.00 0.00 C ATOM 511 CG ARG A 33 6.485 -1.554 3.699 1.00 0.00 C ATOM 512 CD ARG A 33 5.958 -0.152 3.517 1.00 0.00 C ATOM 513 NE ARG A 33 6.854 0.596 2.650 1.00 0.00 N ATOM 514 CZ ARG A 33 8.098 0.943 2.981 1.00 0.00 C ATOM 515 NH1 ARG A 33 8.522 0.822 4.252 1.00 0.00 N ATOM 516 NH2 ARG A 33 8.911 1.444 2.060 1.00 0.00 N ATOM 0 H ARG A 33 6.464 -3.927 2.901 1.00 0.00 H new ATOM 0 HA ARG A 33 7.162 -3.521 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.674 -2.539 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.487 -1.798 5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.507 -1.508 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.524 -2.052 2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.958 -0.182 3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.873 0.344 4.484 1.00 0.00 H new ATOM 0 HE ARG A 33 6.509 0.873 1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.891 0.463 4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.475 1.089 4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.584 1.563 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.863 1.710 2.311 1.00 0.00 H new ATOM 530 N PRO A 34 5.064 -4.285 7.005 1.00 0.00 N ATOM 531 CA PRO A 34 4.119 -5.041 7.792 1.00 0.00 C ATOM 532 C PRO A 34 2.724 -4.965 7.200 1.00 0.00 C ATOM 533 O PRO A 34 2.334 -3.943 6.629 1.00 0.00 O ATOM 534 CB PRO A 34 4.154 -4.373 9.177 1.00 0.00 C ATOM 535 CG PRO A 34 5.412 -3.577 9.190 1.00 0.00 C ATOM 536 CD PRO A 34 5.653 -3.169 7.775 1.00 0.00 C ATOM 0 HA PRO A 34 4.373 -6.100 7.829 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.283 -3.736 9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.149 -5.117 9.974 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.316 -2.705 9.837 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.244 -4.168 9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.173 -2.219 7.541 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.716 -3.049 7.564 1.00 0.00 H new ATOM 544 N GLY A 35 1.986 -6.039 7.318 1.00 0.00 N ATOM 545 CA GLY A 35 0.639 -6.056 6.823 1.00 0.00 C ATOM 546 C GLY A 35 0.480 -6.728 5.488 1.00 0.00 C ATOM 547 O GLY A 35 -0.639 -6.997 5.063 1.00 0.00 O ATOM 0 H GLY A 35 2.296 -6.909 7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.003 -6.562 7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.280 -5.030 6.745 1.00 0.00 H new ATOM 551 N TYR A 36 1.572 -7.027 4.813 1.00 0.00 N ATOM 552 CA TYR A 36 1.439 -7.733 3.568 1.00 0.00 C ATOM 553 C TYR A 36 1.341 -9.229 3.799 1.00 0.00 C ATOM 554 O TYR A 36 2.058 -9.799 4.623 1.00 0.00 O ATOM 555 CB TYR A 36 2.554 -7.401 2.588 1.00 0.00 C ATOM 556 CG TYR A 36 2.523 -5.974 2.093 1.00 0.00 C ATOM 557 CD1 TYR A 36 1.560 -5.580 1.180 1.00 0.00 C ATOM 558 CD2 TYR A 36 3.424 -5.020 2.545 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.488 -4.279 0.717 1.00 0.00 C ATOM 560 CE2 TYR A 36 3.367 -3.706 2.087 1.00 0.00 C ATOM 561 CZ TYR A 36 2.401 -3.342 1.175 1.00 0.00 C ATOM 562 OH TYR A 36 2.349 -2.043 0.722 1.00 0.00 O ATOM 0 H TYR A 36 2.525 -6.800 5.096 1.00 0.00 H new ATOM 0 HA TYR A 36 0.509 -7.395 3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.515 -7.589 3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.487 -8.074 1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.847 -6.307 0.820 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.181 -5.301 3.263 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.727 -3.995 0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.077 -2.976 2.445 1.00 0.00 H new ATOM 0 HH TYR A 36 3.061 -1.520 1.146 1.00 0.00 H new ATOM 572 N SER A 37 0.413 -9.850 3.075 1.00 0.00 N ATOM 573 CA SER A 37 0.144 -11.284 3.203 1.00 0.00 C ATOM 574 C SER A 37 1.351 -12.148 2.850 1.00 0.00 C ATOM 575 O SER A 37 1.659 -13.117 3.542 1.00 0.00 O ATOM 576 CB SER A 37 -1.035 -11.680 2.323 1.00 0.00 C ATOM 577 OG SER A 37 -2.189 -10.942 2.657 1.00 0.00 O ATOM 0 H SER A 37 -0.172 -9.378 2.386 1.00 0.00 H new ATOM 0 HA SER A 37 -0.091 -11.463 4.252 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.783 -11.513 1.276 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.236 -12.745 2.436 1.00 0.00 H new ATOM 0 HG SER A 37 -2.074 -10.010 2.376 1.00 0.00 H new ATOM 583 N GLY A 38 2.039 -11.773 1.780 1.00 0.00 N ATOM 584 CA GLY A 38 3.113 -12.592 1.268 1.00 0.00 C ATOM 585 C GLY A 38 4.449 -12.310 1.893 1.00 0.00 C ATOM 586 O GLY A 38 4.615 -11.346 2.645 1.00 0.00 O ATOM 0 H GLY A 38 1.870 -10.913 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.863 -13.641 1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.189 -12.442 0.191 1.00 0.00 H new ATOM 590 N ARG A 39 5.406 -13.146 1.552 1.00 0.00 N ATOM 591 CA ARG A 39 6.760 -13.043 2.052 1.00 0.00 C ATOM 592 C ARG A 39 7.718 -12.742 0.911 1.00 0.00 C ATOM 593 O ARG A 39 7.698 -13.432 -0.127 1.00 0.00 O ATOM 594 CB ARG A 39 7.162 -14.357 2.713 1.00 0.00 C ATOM 595 CG ARG A 39 6.763 -14.492 4.175 1.00 0.00 C ATOM 596 CD ARG A 39 7.682 -13.664 5.078 1.00 0.00 C ATOM 597 NE ARG A 39 9.098 -13.799 4.688 1.00 0.00 N ATOM 598 CZ ARG A 39 9.816 -14.931 4.798 1.00 0.00 C ATOM 599 NH1 ARG A 39 9.297 -16.001 5.382 1.00 0.00 N ATOM 600 NH2 ARG A 39 11.067 -14.974 4.345 1.00 0.00 N ATOM 0 H ARG A 39 5.264 -13.927 0.911 1.00 0.00 H new ATOM 0 HA ARG A 39 6.806 -12.234 2.781 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.716 -15.179 2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.243 -14.469 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.731 -14.166 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.806 -15.540 4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.390 -12.615 5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.558 -13.982 6.113 1.00 0.00 H new ATOM 0 HE ARG A 39 9.566 -12.976 4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.347 -15.970 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.848 -16.856 5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.482 -14.148 3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.611 -15.833 4.429 1.00 0.00 H new ATOM 614 N PRO A 40 8.542 -11.702 1.053 1.00 0.00 N ATOM 615 CA PRO A 40 9.533 -11.339 0.035 1.00 0.00 C ATOM 616 C PRO A 40 10.600 -12.428 -0.169 1.00 0.00 C ATOM 617 O PRO A 40 11.020 -13.100 0.778 1.00 0.00 O ATOM 618 CB PRO A 40 10.159 -10.066 0.604 1.00 0.00 C ATOM 619 CG PRO A 40 9.966 -10.193 2.069 1.00 0.00 C ATOM 620 CD PRO A 40 8.617 -10.820 2.224 1.00 0.00 C ATOM 0 HA PRO A 40 9.083 -11.210 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.215 -9.991 0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.671 -9.173 0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.743 -10.811 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.009 -9.220 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.533 -11.376 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.821 -10.076 2.223 1.00 0.00 H new ATOM 628 N PHE A 41 11.021 -12.590 -1.406 1.00 0.00 N ATOM 629 CA PHE A 41 12.090 -13.515 -1.781 1.00 0.00 C ATOM 630 C PHE A 41 12.962 -12.844 -2.818 1.00 0.00 C ATOM 631 O PHE A 41 12.536 -11.877 -3.446 1.00 0.00 O ATOM 632 CB PHE A 41 11.613 -14.899 -2.306 1.00 0.00 C ATOM 633 CG PHE A 41 10.821 -15.756 -1.308 1.00 0.00 C ATOM 634 CD1 PHE A 41 11.395 -16.180 -0.115 1.00 0.00 C ATOM 635 CD2 PHE A 41 9.505 -16.122 -1.569 1.00 0.00 C ATOM 636 CE1 PHE A 41 10.672 -16.952 0.781 1.00 0.00 C ATOM 637 CE2 PHE A 41 8.787 -16.890 -0.677 1.00 0.00 C ATOM 638 CZ PHE A 41 9.368 -17.305 0.496 1.00 0.00 C ATOM 0 H PHE A 41 10.629 -12.079 -2.197 1.00 0.00 H new ATOM 0 HA PHE A 41 12.640 -13.737 -0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.994 -14.738 -3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.487 -15.465 -2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 41 12.414 -15.905 0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.037 -15.799 -2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.129 -17.278 1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.767 -17.165 -0.901 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.806 -17.907 1.195 1.00 0.00 H new ATOM 648 N SER A 42 14.167 -13.334 -2.997 1.00 0.00 N ATOM 649 CA SER A 42 15.104 -12.716 -3.923 1.00 0.00 C ATOM 650 C SER A 42 14.644 -12.841 -5.354 1.00 0.00 C ATOM 651 O SER A 42 13.877 -13.749 -5.695 1.00 0.00 O ATOM 652 CB SER A 42 16.440 -13.378 -3.749 1.00 0.00 C ATOM 653 OG SER A 42 16.302 -14.786 -3.800 1.00 0.00 O ATOM 0 H SER A 42 14.527 -14.159 -2.516 1.00 0.00 H new ATOM 0 HA SER A 42 15.170 -11.651 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 42 17.123 -13.044 -4.530 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.878 -13.083 -2.795 1.00 0.00 H new ATOM 0 HG SER A 42 16.414 -15.159 -2.901 1.00 0.00 H new ATOM 659 N ILE A 43 15.130 -11.939 -6.202 1.00 0.00 N ATOM 660 CA ILE A 43 14.636 -11.887 -7.564 1.00 0.00 C ATOM 661 C ILE A 43 15.540 -12.561 -8.552 1.00 0.00 C ATOM 662 O ILE A 43 15.215 -12.620 -9.694 1.00 0.00 O ATOM 663 CB ILE A 43 14.516 -10.492 -8.071 1.00 0.00 C ATOM 664 CG1 ILE A 43 14.720 -9.463 -6.982 1.00 0.00 C ATOM 665 CG2 ILE A 43 13.182 -10.327 -8.701 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.838 -8.071 -7.539 1.00 0.00 C ATOM 0 H ILE A 43 15.848 -11.252 -5.973 1.00 0.00 H new ATOM 0 HA ILE A 43 13.672 -12.391 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 43 15.304 -10.325 -8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 43 13.885 -9.504 -6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.620 -9.706 -6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 43 13.081 -9.309 -9.077 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.080 -11.031 -9.527 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.404 -10.520 -7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.983 -7.364 -6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 43 15.689 -8.022 -8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.927 -7.817 -8.081 1.00 0.00 H new ATOM 678 N ILE A 44 16.668 -12.981 -8.077 1.00 0.00 N ATOM 679 CA ILE A 44 17.750 -13.724 -8.803 1.00 0.00 C ATOM 680 C ILE A 44 17.658 -13.644 -10.365 1.00 0.00 C ATOM 681 O ILE A 44 16.693 -14.076 -10.967 1.00 0.00 O ATOM 682 CB ILE A 44 17.674 -15.202 -8.392 1.00 0.00 C ATOM 683 CG1 ILE A 44 17.100 -15.305 -6.988 1.00 0.00 C ATOM 684 CG2 ILE A 44 19.068 -15.812 -8.402 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.856 -16.146 -6.916 1.00 0.00 C ATOM 0 H ILE A 44 16.915 -12.822 -7.100 1.00 0.00 H new ATOM 0 HA ILE A 44 18.692 -13.252 -8.524 1.00 0.00 H new ATOM 0 HB ILE A 44 17.037 -15.737 -9.096 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.855 -15.727 -6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.876 -14.304 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.008 -16.860 -8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.490 -15.738 -9.404 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.705 -15.275 -7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.498 -16.179 -5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.086 -15.713 -7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.081 -17.158 -7.254 1.00 0.00 H new ATOM 697 N CYS A 45 18.713 -13.170 -10.996 1.00 0.00 N ATOM 698 CA CYS A 45 18.740 -12.975 -12.465 1.00 0.00 C ATOM 699 C CYS A 45 18.830 -14.315 -13.204 1.00 0.00 C ATOM 700 O CYS A 45 19.863 -14.670 -13.760 1.00 0.00 O ATOM 701 CB CYS A 45 19.946 -12.109 -12.760 1.00 0.00 C ATOM 702 SG CYS A 45 19.885 -10.559 -11.826 1.00 0.00 S ATOM 0 H CYS A 45 19.579 -12.905 -10.526 1.00 0.00 H new ATOM 0 HA CYS A 45 17.822 -12.499 -12.810 1.00 0.00 H new ATOM 0 HB2 CYS A 45 20.857 -12.652 -12.509 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.988 -11.892 -13.827 1.00 0.00 H new ATOM 707 N LEU A 46 17.739 -15.076 -13.131 1.00 0.00 N ATOM 708 CA LEU A 46 17.671 -16.408 -13.710 1.00 0.00 C ATOM 709 C LEU A 46 17.129 -16.388 -15.153 1.00 0.00 C ATOM 710 O LEU A 46 17.749 -16.927 -16.074 1.00 0.00 O ATOM 711 CB LEU A 46 16.727 -17.297 -12.874 1.00 0.00 C ATOM 712 CG LEU A 46 16.999 -17.425 -11.370 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.942 -18.300 -10.726 1.00 0.00 C ATOM 714 CD2 LEU A 46 18.385 -17.976 -11.088 1.00 0.00 C ATOM 0 H LEU A 46 16.879 -14.782 -12.668 1.00 0.00 H new ATOM 0 HA LEU A 46 18.688 -16.800 -13.714 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.713 -16.916 -12.998 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.746 -18.299 -13.303 1.00 0.00 H new ATOM 0 HG LEU A 46 16.954 -16.425 -10.938 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.142 -18.386 -9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.959 -17.853 -10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.964 -19.291 -11.180 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.535 -18.050 -10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.482 -18.965 -11.537 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.135 -17.310 -11.514 1.00 0.00 H new ATOM 726 N LYS A 47 15.959 -15.748 -15.334 1.00 0.00 N ATOM 727 CA LYS A 47 15.271 -15.801 -16.609 1.00 0.00 C ATOM 728 C LYS A 47 15.877 -14.816 -17.570 1.00 0.00 C ATOM 729 O LYS A 47 15.814 -13.613 -17.354 1.00 0.00 O ATOM 730 CB LYS A 47 13.784 -15.486 -16.403 1.00 0.00 C ATOM 731 CG LYS A 47 12.998 -16.080 -17.502 1.00 0.00 C ATOM 732 CD LYS A 47 13.034 -17.578 -17.359 1.00 0.00 C ATOM 733 CE LYS A 47 12.470 -18.235 -18.537 1.00 0.00 C ATOM 734 NZ LYS A 47 10.993 -18.092 -18.662 1.00 0.00 N ATOM 0 H LYS A 47 15.486 -15.199 -14.616 1.00 0.00 H new ATOM 0 HA LYS A 47 15.374 -16.802 -17.027 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.447 -15.882 -15.445 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.631 -14.407 -16.374 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.969 -15.721 -17.469 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.409 -15.781 -18.466 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.063 -17.907 -17.213 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.475 -17.875 -16.471 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.941 -17.824 -19.430 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.720 -19.295 -18.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.668 -18.583 -19.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.532 -18.509 -17.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.746 -17.084 -18.726 1.00 0.00 H new ATOM 748 N ASN A 48 16.452 -15.345 -18.652 1.00 0.00 N ATOM 749 CA ASN A 48 17.063 -14.532 -19.709 1.00 0.00 C ATOM 750 C ASN A 48 18.104 -13.615 -19.107 1.00 0.00 C ATOM 751 O ASN A 48 18.274 -12.494 -19.554 1.00 0.00 O ATOM 752 CB ASN A 48 16.010 -13.708 -20.438 1.00 0.00 C ATOM 753 CG ASN A 48 14.862 -14.556 -20.950 1.00 0.00 C ATOM 754 OD1 ASN A 48 15.059 -15.677 -21.422 1.00 0.00 O ATOM 755 ND2 ASN A 48 13.650 -14.048 -20.830 1.00 0.00 N ATOM 0 H ASN A 48 16.508 -16.349 -18.821 1.00 0.00 H new ATOM 0 HA ASN A 48 17.535 -15.200 -20.429 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.621 -12.944 -19.765 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.475 -13.188 -21.275 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.839 -14.587 -21.133 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.524 -13.116 -20.434 1.00 0.00 H new ATOM 762 N SER A 49 18.787 -14.125 -18.079 1.00 0.00 N ATOM 763 CA SER A 49 19.773 -13.368 -17.312 1.00 0.00 C ATOM 764 C SER A 49 19.191 -12.042 -16.761 1.00 0.00 C ATOM 765 O SER A 49 19.937 -11.143 -16.391 1.00 0.00 O ATOM 766 CB SER A 49 21.086 -13.140 -18.128 1.00 0.00 C ATOM 767 OG SER A 49 20.871 -12.444 -19.349 1.00 0.00 O ATOM 0 H SER A 49 18.668 -15.085 -17.755 1.00 0.00 H new ATOM 0 HA SER A 49 20.037 -13.974 -16.445 1.00 0.00 H new ATOM 0 HB2 SER A 49 21.793 -12.579 -17.517 1.00 0.00 H new ATOM 0 HB3 SER A 49 21.545 -14.105 -18.343 1.00 0.00 H new ATOM 0 HG SER A 49 19.951 -12.106 -19.376 1.00 0.00 H new ATOM 773 N VAL A 50 17.842 -11.945 -16.673 1.00 0.00 N ATOM 774 CA VAL A 50 17.219 -10.728 -16.181 1.00 0.00 C ATOM 775 C VAL A 50 16.833 -10.874 -14.706 1.00 0.00 C ATOM 776 O VAL A 50 17.616 -10.548 -13.841 1.00 0.00 O ATOM 777 CB VAL A 50 15.965 -10.349 -17.030 1.00 0.00 C ATOM 778 CG1 VAL A 50 15.364 -9.027 -16.576 1.00 0.00 C ATOM 779 CG2 VAL A 50 16.323 -10.293 -18.509 1.00 0.00 C ATOM 0 H VAL A 50 17.191 -12.686 -16.934 1.00 0.00 H new ATOM 0 HA VAL A 50 17.949 -9.924 -16.275 1.00 0.00 H new ATOM 0 HB VAL A 50 15.213 -11.124 -16.879 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.493 -8.794 -17.188 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.063 -9.104 -15.531 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.105 -8.235 -16.683 1.00 0.00 H new ATOM 0 HG21 VAL A 50 15.438 -10.028 -19.088 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.099 -9.544 -18.668 1.00 0.00 H new ATOM 0 HG23 VAL A 50 16.689 -11.268 -18.832 1.00 0.00 H new ATOM 789 N TRP A 51 15.617 -11.388 -14.429 1.00 0.00 N ATOM 790 CA TRP A 51 15.153 -11.647 -13.043 1.00 0.00 C ATOM 791 C TRP A 51 14.137 -12.774 -13.005 1.00 0.00 C ATOM 792 O TRP A 51 13.592 -13.149 -14.040 1.00 0.00 O ATOM 793 CB TRP A 51 14.584 -10.401 -12.355 1.00 0.00 C ATOM 794 CG TRP A 51 15.601 -9.319 -12.114 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.743 -8.164 -12.815 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.633 -9.311 -11.112 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.788 -7.430 -12.311 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.352 -8.119 -11.259 1.00 0.00 C ATOM 799 CE3 TRP A 51 17.005 -10.198 -10.112 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.436 -7.791 -10.425 1.00 0.00 C ATOM 801 CZ3 TRP A 51 18.064 -9.884 -9.293 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.768 -8.693 -9.451 1.00 0.00 C ATOM 0 H TRP A 51 14.935 -11.634 -15.146 1.00 0.00 H new ATOM 0 HA TRP A 51 16.039 -11.945 -12.483 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.777 -9.997 -12.966 1.00 0.00 H new ATOM 0 HB3 TRP A 51 14.146 -10.693 -11.401 1.00 0.00 H new ATOM 0 HD1 TRP A 51 15.124 -7.866 -13.648 1.00 0.00 H new ATOM 0 HE1 TRP A 51 17.097 -6.522 -12.659 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.468 -11.126 -9.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 18.982 -6.868 -10.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.355 -10.573 -8.514 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.594 -8.476 -8.790 1.00 0.00 H new ATOM 813 N THR A 52 13.905 -13.334 -11.814 1.00 0.00 N ATOM 814 CA THR A 52 12.925 -14.408 -11.654 1.00 0.00 C ATOM 815 C THR A 52 11.495 -13.891 -11.914 1.00 0.00 C ATOM 816 O THR A 52 10.654 -14.603 -12.459 1.00 0.00 O ATOM 817 CB THR A 52 12.967 -14.962 -10.222 1.00 0.00 C ATOM 818 OG1 THR A 52 12.655 -13.922 -9.286 1.00 0.00 O ATOM 819 CG2 THR A 52 14.335 -15.420 -9.916 1.00 0.00 C ATOM 0 H THR A 52 14.380 -13.063 -10.953 1.00 0.00 H new ATOM 0 HA THR A 52 13.177 -15.187 -12.373 1.00 0.00 H new ATOM 0 HB THR A 52 12.249 -15.778 -10.146 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.682 -14.283 -8.375 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.368 -15.814 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.622 -16.203 -10.618 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.027 -14.582 -10.003 1.00 0.00 H new ATOM 827 N GLY A 53 11.246 -12.638 -11.518 1.00 0.00 N ATOM 828 CA GLY A 53 9.921 -12.056 -11.662 1.00 0.00 C ATOM 829 C GLY A 53 9.233 -11.881 -10.314 1.00 0.00 C ATOM 830 O GLY A 53 8.372 -12.679 -9.941 1.00 0.00 O ATOM 0 H GLY A 53 11.941 -12.019 -11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.000 -11.089 -12.158 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.311 -12.694 -12.302 1.00 0.00 H new ATOM 834 N ALA A 54 9.599 -10.834 -9.582 1.00 0.00 N ATOM 835 CA ALA A 54 9.058 -10.615 -8.257 1.00 0.00 C ATOM 836 C ALA A 54 8.035 -9.500 -8.239 1.00 0.00 C ATOM 837 O ALA A 54 8.246 -8.456 -7.623 1.00 0.00 O ATOM 838 CB ALA A 54 10.158 -10.356 -7.240 1.00 0.00 C ATOM 0 H ALA A 54 10.268 -10.128 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 54 8.546 -11.534 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.715 -10.196 -6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.827 -11.216 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.722 -9.470 -7.532 1.00 0.00 H new ATOM 844 N LYS A 55 6.932 -9.727 -8.907 1.00 0.00 N ATOM 845 CA LYS A 55 5.834 -8.778 -8.876 1.00 0.00 C ATOM 846 C LYS A 55 4.661 -9.399 -8.149 1.00 0.00 C ATOM 847 O LYS A 55 4.604 -10.620 -7.997 1.00 0.00 O ATOM 848 CB LYS A 55 5.371 -8.340 -10.258 1.00 0.00 C ATOM 849 CG LYS A 55 4.679 -9.424 -11.061 1.00 0.00 C ATOM 850 CD LYS A 55 4.243 -8.895 -12.413 1.00 0.00 C ATOM 851 CE LYS A 55 3.137 -7.850 -12.242 1.00 0.00 C ATOM 852 NZ LYS A 55 2.535 -7.434 -13.533 1.00 0.00 N ATOM 0 H LYS A 55 6.765 -10.555 -9.478 1.00 0.00 H new ATOM 0 HA LYS A 55 6.203 -7.890 -8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.690 -7.496 -10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.234 -7.983 -10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.353 -10.270 -11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.812 -9.792 -10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.094 -8.452 -12.930 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.885 -9.716 -13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.358 -8.255 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.546 -6.974 -11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.793 -6.726 -13.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.270 -7.022 -14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.119 -8.262 -14.005 1.00 0.00 H new ATOM 866 N ASP A 56 3.784 -8.534 -7.638 1.00 0.00 N ATOM 867 CA ASP A 56 2.563 -8.908 -6.860 1.00 0.00 C ATOM 868 C ASP A 56 2.894 -9.858 -5.718 1.00 0.00 C ATOM 869 O ASP A 56 2.032 -10.560 -5.192 1.00 0.00 O ATOM 870 CB ASP A 56 1.437 -9.498 -7.772 1.00 0.00 C ATOM 871 CG ASP A 56 1.661 -10.939 -8.254 1.00 0.00 C ATOM 872 OD1 ASP A 56 2.280 -11.125 -9.338 1.00 0.00 O ATOM 873 OD2 ASP A 56 1.143 -11.880 -7.609 1.00 0.00 O ATOM 0 H ASP A 56 3.890 -7.525 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 56 2.177 -7.985 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.494 -9.459 -7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.327 -8.855 -8.645 1.00 0.00 H new ATOM 878 N ARG A 57 4.137 -9.790 -5.289 1.00 0.00 N ATOM 879 CA ARG A 57 4.670 -10.689 -4.285 1.00 0.00 C ATOM 880 C ARG A 57 4.021 -10.538 -2.918 1.00 0.00 C ATOM 881 O ARG A 57 3.763 -11.522 -2.230 1.00 0.00 O ATOM 882 CB ARG A 57 6.139 -10.461 -4.125 1.00 0.00 C ATOM 883 CG ARG A 57 6.961 -10.858 -5.321 1.00 0.00 C ATOM 884 CD ARG A 57 6.842 -12.332 -5.560 1.00 0.00 C ATOM 885 NE ARG A 57 7.222 -13.058 -4.369 1.00 0.00 N ATOM 886 CZ ARG A 57 8.445 -13.355 -4.018 1.00 0.00 C ATOM 887 NH1 ARG A 57 9.455 -13.253 -4.888 1.00 0.00 N ATOM 888 NH2 ARG A 57 8.662 -13.784 -2.806 1.00 0.00 N ATOM 0 H ARG A 57 4.811 -9.105 -5.629 1.00 0.00 H new ATOM 0 HA ARG A 57 4.453 -11.694 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.310 -9.405 -3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.489 -11.019 -3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.625 -10.310 -6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.005 -10.591 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.818 -12.582 -5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.479 -12.626 -6.394 1.00 0.00 H new ATOM 0 HE ARG A 57 6.471 -13.364 -3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.277 -12.939 -5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.404 -13.489 -4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.885 -13.882 -2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.609 -14.022 -2.511 1.00 0.00 H new ATOM 902 N CYS A 58 3.778 -9.323 -2.528 1.00 0.00 N ATOM 903 CA CYS A 58 3.218 -9.045 -1.228 1.00 0.00 C ATOM 904 C CYS A 58 1.838 -8.509 -1.412 1.00 0.00 C ATOM 905 O CYS A 58 1.589 -7.775 -2.367 1.00 0.00 O ATOM 906 CB CYS A 58 4.149 -8.131 -0.442 1.00 0.00 C ATOM 907 SG CYS A 58 5.678 -9.006 0.088 1.00 0.00 S ATOM 0 H CYS A 58 3.959 -8.495 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 58 3.130 -9.950 -0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.417 -7.271 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.627 -7.748 0.435 1.00 0.00 H new ATOM 912 N ARG A 59 0.907 -8.854 -0.524 1.00 0.00 N ATOM 913 CA ARG A 59 -0.459 -8.620 -0.895 1.00 0.00 C ATOM 914 C ARG A 59 -1.294 -7.845 0.150 1.00 0.00 C ATOM 915 O ARG A 59 -1.197 -8.048 1.365 1.00 0.00 O ATOM 916 CB ARG A 59 -1.083 -9.979 -1.233 1.00 0.00 C ATOM 917 CG ARG A 59 -0.363 -10.645 -2.411 1.00 0.00 C ATOM 918 CD ARG A 59 -0.869 -12.037 -2.742 1.00 0.00 C ATOM 919 NE ARG A 59 -2.231 -12.037 -3.238 1.00 0.00 N ATOM 920 CZ ARG A 59 -2.537 -11.900 -4.543 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.568 -11.634 -5.444 1.00 0.00 N ATOM 922 NH2 ARG A 59 -3.796 -11.997 -4.941 1.00 0.00 N ATOM 0 H ARG A 59 1.069 -9.268 0.394 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.465 -7.956 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.036 -10.630 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.137 -9.847 -1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.470 -10.013 -3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.702 -10.701 -2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.215 -12.488 -3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.812 -12.661 -1.850 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.993 -12.146 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.600 -11.536 -5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.804 -11.531 -6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.534 -12.175 -4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.028 -11.893 -5.929 1.00 0.00 H new ATOM 936 N ARG A 60 -2.078 -6.964 -0.411 1.00 0.00 N ATOM 937 CA ARG A 60 -3.072 -6.071 0.187 1.00 0.00 C ATOM 938 C ARG A 60 -4.416 -6.745 0.643 1.00 0.00 C ATOM 939 O ARG A 60 -4.964 -7.587 -0.064 1.00 0.00 O ATOM 940 CB ARG A 60 -3.343 -5.107 -0.934 1.00 0.00 C ATOM 941 CG ARG A 60 -4.443 -4.135 -0.764 1.00 0.00 C ATOM 942 CD ARG A 60 -4.501 -3.231 -1.997 1.00 0.00 C ATOM 943 NE ARG A 60 -4.803 -3.988 -3.229 1.00 0.00 N ATOM 944 CZ ARG A 60 -4.822 -3.448 -4.453 1.00 0.00 C ATOM 945 NH1 ARG A 60 -4.819 -2.122 -4.595 1.00 0.00 N ATOM 946 NH2 ARG A 60 -4.889 -4.226 -5.531 1.00 0.00 N ATOM 0 H ARG A 60 -2.041 -6.828 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.689 -5.644 1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.427 -4.546 -1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.548 -5.689 -1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.391 -4.657 -0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.283 -3.538 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.261 -2.464 -1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.547 -2.716 -2.113 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.010 -4.983 -3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.802 -1.521 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.833 -1.709 -5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.926 -5.240 -5.427 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.903 -3.808 -6.461 1.00 0.00 H new ATOM 960 N LYS A 61 -4.933 -6.331 1.837 1.00 0.00 N ATOM 961 CA LYS A 61 -6.291 -6.731 2.315 1.00 0.00 C ATOM 962 C LYS A 61 -7.409 -5.765 1.999 1.00 0.00 C ATOM 963 O LYS A 61 -7.193 -4.582 1.730 1.00 0.00 O ATOM 964 CB LYS A 61 -6.435 -7.184 3.755 1.00 0.00 C ATOM 965 CG LYS A 61 -6.347 -8.676 3.940 1.00 0.00 C ATOM 966 CD LYS A 61 -6.368 -9.050 5.406 1.00 0.00 C ATOM 967 CE LYS A 61 -7.751 -8.708 6.014 1.00 0.00 C ATOM 968 NZ LYS A 61 -7.881 -9.138 7.444 1.00 0.00 N ATOM 0 H LYS A 61 -4.431 -5.722 2.484 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.399 -7.623 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.659 -6.708 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.394 -6.836 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.180 -9.158 3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.431 -9.048 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.162 -10.114 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.583 -8.513 5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.916 -7.633 5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.531 -9.188 5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.606 -8.561 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.158 -10.140 7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.969 -9.012 7.929 1.00 0.00 H new ATOM 982 N SER A 62 -8.611 -6.336 1.971 1.00 0.00 N ATOM 983 CA SER A 62 -9.839 -5.643 1.653 1.00 0.00 C ATOM 984 C SER A 62 -10.259 -4.618 2.741 1.00 0.00 C ATOM 985 O SER A 62 -10.354 -4.970 3.915 1.00 0.00 O ATOM 986 CB SER A 62 -10.908 -6.734 1.584 1.00 0.00 C ATOM 987 OG SER A 62 -10.467 -7.828 0.781 1.00 0.00 O ATOM 0 H SER A 62 -8.752 -7.325 2.177 1.00 0.00 H new ATOM 0 HA SER A 62 -9.712 -5.080 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.140 -7.086 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.828 -6.322 1.170 1.00 0.00 H new ATOM 0 HG SER A 62 -11.165 -8.515 0.752 1.00 0.00 H new ATOM 993 N CYS A 63 -10.678 -3.424 2.276 1.00 0.00 N ATOM 994 CA CYS A 63 -11.182 -2.282 3.113 1.00 0.00 C ATOM 995 C CYS A 63 -12.703 -2.310 3.201 1.00 0.00 C ATOM 996 O CYS A 63 -13.372 -2.741 2.269 1.00 0.00 O ATOM 997 CB CYS A 63 -10.698 -0.933 2.479 1.00 0.00 C ATOM 998 SG CYS A 63 -8.878 -0.534 2.598 1.00 0.00 S ATOM 0 H CYS A 63 -10.681 -3.207 1.279 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.786 -2.374 4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.974 -0.938 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.253 -0.121 2.950 1.00 0.00 H new ATOM 1003 N ARG A 64 -13.240 -1.880 4.336 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.684 -1.858 4.536 1.00 0.00 C ATOM 1005 C ARG A 64 -15.054 -0.621 5.336 1.00 0.00 C ATOM 1006 O ARG A 64 -14.264 -0.188 6.180 1.00 0.00 O ATOM 1007 CB ARG A 64 -15.158 -3.145 5.245 1.00 0.00 C ATOM 1008 CG ARG A 64 -14.623 -3.378 6.677 1.00 0.00 C ATOM 1009 CD ARG A 64 -13.124 -3.656 6.708 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.637 -3.959 8.066 1.00 0.00 N ATOM 1011 CZ ARG A 64 -12.057 -3.078 8.897 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -12.007 -1.788 8.582 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -11.563 -3.491 10.068 1.00 0.00 N ATOM 0 H ARG A 64 -12.698 -1.542 5.131 1.00 0.00 H new ATOM 0 HA ARG A 64 -15.185 -1.819 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -16.247 -3.132 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.872 -3.999 4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.838 -2.501 7.288 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.153 -4.218 7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.899 -4.494 6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.589 -2.791 6.317 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.750 -4.916 8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.411 -1.461 7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.565 -1.124 9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.627 -4.475 10.330 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.122 -2.822 10.700 1.00 0.00 H new ATOM 1027 N ASN A 65 -16.241 -0.064 5.103 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.607 1.201 5.735 1.00 0.00 C ATOM 1029 C ASN A 65 -17.858 1.137 6.634 1.00 0.00 C ATOM 1030 O ASN A 65 -18.920 1.641 6.258 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.824 2.266 4.654 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.786 3.681 5.202 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -17.798 4.246 5.614 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -15.617 4.256 5.197 1.00 0.00 N ATOM 0 H ASN A 65 -16.955 -0.461 4.492 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.775 1.453 6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.058 2.158 3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.786 2.095 4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.516 5.210 5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.802 3.752 4.847 1.00 0.00 H new ATOM 1041 N PRO A 66 -17.785 0.478 7.809 1.00 0.00 N ATOM 1042 CA PRO A 66 -18.842 0.599 8.807 1.00 0.00 C ATOM 1043 C PRO A 66 -18.728 1.870 9.755 1.00 0.00 C ATOM 1044 O PRO A 66 -19.654 2.113 10.523 1.00 0.00 O ATOM 1045 CB PRO A 66 -18.712 -0.683 9.624 1.00 0.00 C ATOM 1046 CG PRO A 66 -17.276 -1.046 9.530 1.00 0.00 C ATOM 1047 CD PRO A 66 -16.775 -0.525 8.202 1.00 0.00 C ATOM 0 HA PRO A 66 -19.806 0.734 8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.013 -0.525 10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.347 -1.473 9.224 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.713 -0.608 10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.146 -2.126 9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.785 -0.079 8.296 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.696 -1.323 7.464 1.00 0.00 H new ATOM 1055 N PRO A 67 -17.569 2.688 9.755 1.00 0.00 N ATOM 1056 CA PRO A 67 -17.473 3.893 10.592 1.00 0.00 C ATOM 1057 C PRO A 67 -18.659 4.811 10.360 1.00 0.00 C ATOM 1058 O PRO A 67 -19.231 5.341 11.304 1.00 0.00 O ATOM 1059 CB PRO A 67 -16.269 4.638 10.000 1.00 0.00 C ATOM 1060 CG PRO A 67 -15.459 3.638 9.271 1.00 0.00 C ATOM 1061 CD PRO A 67 -16.282 2.403 9.112 1.00 0.00 C ATOM 0 HA PRO A 67 -17.414 3.635 11.649 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.598 5.431 9.329 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.682 5.110 10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.162 4.026 8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.543 3.417 9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.418 2.158 8.059 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.794 1.547 9.578 1.00 0.00 H new ATOM 1069 N ASP A 68 -19.032 4.916 9.065 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.104 5.788 8.525 1.00 0.00 C ATOM 1071 C ASP A 68 -20.126 7.233 9.053 1.00 0.00 C ATOM 1072 O ASP A 68 -19.801 7.517 10.199 1.00 0.00 O ATOM 1073 CB ASP A 68 -21.513 5.156 8.607 1.00 0.00 C ATOM 1074 CG ASP A 68 -22.108 5.049 10.025 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -22.491 6.089 10.609 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -22.278 3.908 10.515 1.00 0.00 O ATOM 0 H ASP A 68 -18.575 4.372 8.333 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.824 5.867 7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.193 5.743 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.470 4.157 8.173 1.00 0.00 H new ATOM 1081 N PRO A 69 -20.466 8.184 8.172 1.00 0.00 N ATOM 1082 CA PRO A 69 -20.647 9.572 8.568 1.00 0.00 C ATOM 1083 C PRO A 69 -21.794 9.651 9.552 1.00 0.00 C ATOM 1084 O PRO A 69 -22.765 8.917 9.402 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.032 10.277 7.259 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.656 9.331 6.175 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.743 7.965 6.756 1.00 0.00 C ATOM 0 HA PRO A 69 -19.768 10.012 9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.098 10.501 7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.504 11.225 7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.327 9.433 5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.648 9.535 5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.728 7.525 6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.017 7.289 6.304 1.00 0.00 H new ATOM 1095 N VAL A 70 -21.721 10.539 10.520 1.00 0.00 N ATOM 1096 CA VAL A 70 -22.782 10.606 11.505 1.00 0.00 C ATOM 1097 C VAL A 70 -24.092 10.971 10.813 1.00 0.00 C ATOM 1098 O VAL A 70 -25.127 10.354 11.051 1.00 0.00 O ATOM 1099 CB VAL A 70 -22.474 11.657 12.587 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -23.658 11.831 13.533 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -21.215 11.282 13.337 1.00 0.00 C ATOM 0 H VAL A 70 -20.961 11.208 10.647 1.00 0.00 H new ATOM 0 HA VAL A 70 -22.864 9.631 11.984 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.305 12.618 12.101 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -23.414 12.579 14.288 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.531 12.157 12.967 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -23.876 10.881 14.021 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.008 12.033 14.099 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.350 10.310 13.812 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -20.378 11.232 12.641 1.00 0.00 H new ATOM 1111 N ASN A 71 -24.023 11.968 9.947 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.158 12.360 9.135 1.00 0.00 C ATOM 1113 C ASN A 71 -25.562 11.232 8.178 1.00 0.00 C ATOM 1114 O ASN A 71 -26.748 10.989 7.964 1.00 0.00 O ATOM 1115 CB ASN A 71 -24.902 13.681 8.420 1.00 0.00 C ATOM 1116 CG ASN A 71 -25.047 14.878 9.363 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -24.446 15.918 9.152 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -25.840 14.724 10.421 1.00 0.00 N ATOM 0 H ASN A 71 -23.183 12.524 9.789 1.00 0.00 H new ATOM 0 HA ASN A 71 -26.009 12.532 9.795 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -23.899 13.674 7.993 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -25.601 13.786 7.590 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -25.959 15.489 11.085 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -26.328 13.841 10.568 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.556 10.555 7.598 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.821 9.415 6.721 1.00 0.00 C ATOM 1127 C GLY A 72 -24.368 9.639 5.295 1.00 0.00 C ATOM 1128 O GLY A 72 -24.693 8.858 4.412 1.00 0.00 O ATOM 0 H GLY A 72 -23.568 10.777 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.319 8.534 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.890 9.202 6.726 1.00 0.00 H new ATOM 1132 N MET A 73 -23.640 10.708 5.059 1.00 0.00 N ATOM 1133 CA MET A 73 -23.187 11.011 3.719 1.00 0.00 C ATOM 1134 C MET A 73 -21.653 10.896 3.532 1.00 0.00 C ATOM 1135 O MET A 73 -20.876 11.658 4.095 1.00 0.00 O ATOM 1136 CB MET A 73 -23.781 12.357 3.306 1.00 0.00 C ATOM 1137 CG MET A 73 -23.430 12.804 1.938 1.00 0.00 C ATOM 1138 SD MET A 73 -24.351 14.295 1.433 1.00 0.00 S ATOM 1139 CE MET A 73 -23.721 15.560 2.532 1.00 0.00 C ATOM 0 H MET A 73 -23.350 11.378 5.772 1.00 0.00 H new ATOM 0 HA MET A 73 -23.555 10.247 3.034 1.00 0.00 H new ATOM 0 HB2 MET A 73 -24.867 12.297 3.385 1.00 0.00 H new ATOM 0 HB3 MET A 73 -23.451 13.116 4.016 1.00 0.00 H new ATOM 0 HG2 MET A 73 -22.360 13.008 1.889 1.00 0.00 H new ATOM 0 HG3 MET A 73 -23.634 11.999 1.232 1.00 0.00 H new ATOM 0 HE1 MET A 73 -24.249 16.496 2.350 1.00 0.00 H new ATOM 0 HE2 MET A 73 -23.874 15.252 3.566 1.00 0.00 H new ATOM 0 HE3 MET A 73 -22.656 15.703 2.349 1.00 0.00 H new ATOM 1149 N VAL A 74 -21.265 9.898 2.720 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.872 9.560 2.421 1.00 0.00 C ATOM 1151 C VAL A 74 -19.645 9.360 0.894 1.00 0.00 C ATOM 1152 O VAL A 74 -20.491 8.804 0.193 1.00 0.00 O ATOM 1153 CB VAL A 74 -19.455 8.249 3.182 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -20.469 7.159 2.957 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -18.073 7.763 2.775 1.00 0.00 C ATOM 0 H VAL A 74 -21.932 9.291 2.244 1.00 0.00 H new ATOM 0 HA VAL A 74 -19.256 10.395 2.755 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.420 8.496 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -20.162 6.260 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -21.442 7.486 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -20.538 6.941 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.829 6.855 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -18.062 7.551 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.336 8.533 3.000 1.00 0.00 H new ATOM 1165 N HIS A 75 -18.522 9.860 0.399 1.00 0.00 N ATOM 1166 CA HIS A 75 -18.098 9.669 -1.011 1.00 0.00 C ATOM 1167 C HIS A 75 -16.806 8.908 -1.096 1.00 0.00 C ATOM 1168 O HIS A 75 -15.985 9.019 -0.229 1.00 0.00 O ATOM 1169 CB HIS A 75 -17.949 10.995 -1.761 1.00 0.00 C ATOM 1170 CG HIS A 75 -19.247 11.682 -2.058 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -19.995 11.406 -3.188 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -19.930 12.621 -1.377 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -21.080 12.154 -3.188 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -21.065 12.902 -2.095 1.00 0.00 N ATOM 0 H HIS A 75 -17.867 10.413 0.952 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.891 9.093 -1.487 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -17.323 11.665 -1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -17.425 10.812 -2.699 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.639 13.070 -0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -21.848 12.157 -3.947 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -21.782 13.578 -1.830 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.604 8.155 -2.173 1.00 0.00 N ATOM 1183 CA VAL A 76 -15.388 7.341 -2.287 1.00 0.00 C ATOM 1184 C VAL A 76 -14.526 7.871 -3.429 1.00 0.00 C ATOM 1185 O VAL A 76 -15.014 8.115 -4.531 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.729 5.844 -2.570 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -14.472 5.017 -2.660 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -16.690 5.298 -1.525 1.00 0.00 C ATOM 0 H VAL A 76 -17.245 8.088 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.852 7.404 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.231 5.783 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.734 3.978 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -13.846 5.394 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -13.926 5.081 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -16.912 4.254 -1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.234 5.372 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.614 5.876 -1.543 1.00 0.00 H new ATOM 1198 N ILE A 77 -13.247 8.093 -3.132 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.304 8.655 -4.107 1.00 0.00 C ATOM 1200 C ILE A 77 -11.530 7.573 -4.851 1.00 0.00 C ATOM 1201 O ILE A 77 -11.652 7.408 -6.064 1.00 0.00 O ATOM 1202 CB ILE A 77 -11.231 9.464 -3.363 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.835 10.605 -2.589 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -10.185 10.003 -4.349 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.838 11.245 -1.647 1.00 0.00 C ATOM 0 H ILE A 77 -12.835 7.892 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.897 9.250 -4.801 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.747 8.791 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.210 11.356 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.691 10.243 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.432 10.574 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.707 9.170 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.672 10.649 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.318 12.063 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -10.483 10.502 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.994 11.632 -2.218 1.00 0.00 H new ATOM 1217 N LYS A 78 -10.733 6.838 -4.087 1.00 0.00 N ATOM 1218 CA LYS A 78 -9.781 5.882 -4.635 1.00 0.00 C ATOM 1219 C LYS A 78 -10.425 4.535 -4.867 1.00 0.00 C ATOM 1220 O LYS A 78 -9.867 3.671 -5.542 1.00 0.00 O ATOM 1221 CB LYS A 78 -8.673 5.687 -3.619 1.00 0.00 C ATOM 1222 CG LYS A 78 -7.918 6.942 -3.283 1.00 0.00 C ATOM 1223 CD LYS A 78 -7.183 7.493 -4.471 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.460 8.753 -4.085 1.00 0.00 C ATOM 1225 NZ LYS A 78 -5.700 9.335 -5.218 1.00 0.00 N ATOM 0 H LYS A 78 -10.729 6.888 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.410 6.269 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.102 5.278 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.971 4.945 -4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.613 7.693 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.208 6.734 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.473 6.755 -4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.884 7.699 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.180 9.485 -3.719 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.776 8.540 -3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.218 10.202 -4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.994 8.648 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.354 9.564 -5.994 1.00 0.00 H new ATOM 1239 N GLY A 79 -11.599 4.364 -4.312 1.00 0.00 N ATOM 1240 CA GLY A 79 -12.233 3.087 -4.329 1.00 0.00 C ATOM 1241 C GLY A 79 -11.985 2.386 -3.013 1.00 0.00 C ATOM 1242 O GLY A 79 -10.856 2.331 -2.561 1.00 0.00 O ATOM 0 H GLY A 79 -12.129 5.100 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.304 3.203 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.845 2.487 -5.152 1.00 0.00 H new ATOM 1246 N ILE A 80 -13.050 1.909 -2.385 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.968 1.191 -1.108 1.00 0.00 C ATOM 1248 C ILE A 80 -12.073 -0.075 -1.248 1.00 0.00 C ATOM 1249 O ILE A 80 -12.538 -1.187 -1.493 1.00 0.00 O ATOM 1250 CB ILE A 80 -14.399 0.730 -0.660 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -15.346 1.919 -0.517 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -14.345 -0.017 0.665 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.923 2.914 0.539 1.00 0.00 C ATOM 0 H ILE A 80 -14.000 2.006 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.538 1.867 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 80 -14.774 0.064 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.418 2.431 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -16.343 1.550 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -15.351 -0.324 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.712 -0.898 0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.933 0.636 1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.645 3.729 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.879 2.418 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.940 3.313 0.290 1.00 0.00 H new ATOM 1265 N GLN A 81 -10.798 0.161 -1.133 1.00 0.00 N ATOM 1266 CA GLN A 81 -9.739 -0.853 -1.156 1.00 0.00 C ATOM 1267 C GLN A 81 -8.513 -0.219 -0.507 1.00 0.00 C ATOM 1268 O GLN A 81 -8.500 0.955 -0.289 1.00 0.00 O ATOM 1269 CB GLN A 81 -9.424 -1.300 -2.600 1.00 0.00 C ATOM 1270 CG GLN A 81 -8.379 -2.413 -2.728 1.00 0.00 C ATOM 1271 CD GLN A 81 -8.842 -3.729 -2.134 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -8.140 -4.206 -1.121 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -9.838 -4.298 -2.562 1.00 0.00 N flip ATOM 0 H GLN A 81 -10.433 1.106 -1.014 1.00 0.00 H new ATOM 0 HA GLN A 81 -10.051 -1.747 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.349 -1.637 -3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.079 -0.433 -3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.139 -2.560 -3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.460 -2.100 -2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.355 -3.900 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.151 -5.170 -2.135 1.00 0.00 H new ATOM 1282 N PHE A 82 -7.498 -0.970 -0.207 1.00 0.00 N ATOM 1283 CA PHE A 82 -6.310 -0.393 0.443 1.00 0.00 C ATOM 1284 C PHE A 82 -5.661 0.699 -0.377 1.00 0.00 C ATOM 1285 O PHE A 82 -5.413 0.542 -1.575 1.00 0.00 O ATOM 1286 CB PHE A 82 -5.334 -1.471 0.782 1.00 0.00 C ATOM 1287 CG PHE A 82 -3.965 -0.967 1.197 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -3.774 -0.175 2.309 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -2.854 -1.315 0.435 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -2.490 0.265 2.648 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -1.590 -0.886 0.771 1.00 0.00 C ATOM 1292 CZ PHE A 82 -1.406 -0.095 1.873 1.00 0.00 C ATOM 0 H PHE A 82 -7.446 -1.972 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.646 0.084 1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.745 -2.076 1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.220 -2.126 -0.081 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.618 0.107 2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.986 -1.935 -0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.347 0.888 3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.743 -1.173 0.165 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.416 0.246 2.135 1.00 0.00 H new ATOM 1302 N GLY A 83 -5.363 1.807 0.322 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.899 3.018 -0.319 1.00 0.00 C ATOM 1304 C GLY A 83 -6.067 3.917 -0.652 1.00 0.00 C ATOM 1305 O GLY A 83 -5.933 4.897 -1.377 1.00 0.00 O ATOM 0 H GLY A 83 -5.441 1.874 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.204 3.542 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.352 2.769 -1.228 1.00 0.00 H new ATOM 1309 N SER A 84 -7.235 3.544 -0.124 1.00 0.00 N ATOM 1310 CA SER A 84 -8.469 4.278 -0.348 1.00 0.00 C ATOM 1311 C SER A 84 -8.567 5.542 0.482 1.00 0.00 C ATOM 1312 O SER A 84 -7.874 5.703 1.485 1.00 0.00 O ATOM 1313 CB SER A 84 -9.665 3.408 -0.040 1.00 0.00 C ATOM 1314 OG SER A 84 -9.529 2.823 1.248 1.00 0.00 O ATOM 0 H SER A 84 -7.345 2.723 0.471 1.00 0.00 H new ATOM 0 HA SER A 84 -8.461 4.565 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.577 4.003 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.759 2.627 -0.794 1.00 0.00 H new ATOM 0 HG SER A 84 -9.904 3.427 1.923 1.00 0.00 H new ATOM 1320 N GLN A 85 -9.442 6.431 0.041 1.00 0.00 N ATOM 1321 CA GLN A 85 -9.719 7.658 0.744 1.00 0.00 C ATOM 1322 C GLN A 85 -11.165 8.062 0.425 1.00 0.00 C ATOM 1323 O GLN A 85 -11.551 8.087 -0.746 1.00 0.00 O ATOM 1324 CB GLN A 85 -8.718 8.740 0.337 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.875 10.050 1.078 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.753 11.014 0.748 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.688 10.611 0.285 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -7.968 12.280 1.011 1.00 0.00 N ATOM 0 H GLN A 85 -9.979 6.315 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.612 7.524 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.708 8.363 0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.819 8.927 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.832 10.503 0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.890 9.862 2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.865 12.576 1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.238 12.969 0.832 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.967 8.309 1.437 1.00 0.00 N ATOM 1338 CA ILE A 86 -13.383 8.673 1.214 1.00 0.00 C ATOM 1339 C ILE A 86 -13.764 9.924 1.969 1.00 0.00 C ATOM 1340 O ILE A 86 -13.060 10.325 2.877 1.00 0.00 O ATOM 1341 CB ILE A 86 -14.403 7.528 1.534 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -14.685 7.395 3.047 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.946 6.211 0.935 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.545 6.864 3.872 1.00 0.00 C ATOM 0 H ILE A 86 -11.685 8.270 2.417 1.00 0.00 H new ATOM 0 HA ILE A 86 -13.451 8.859 0.142 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.349 7.802 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -14.966 8.374 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -15.545 6.740 3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.671 5.433 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.863 6.313 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.975 5.940 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.847 6.810 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -13.274 5.868 3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.686 7.528 3.776 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.879 10.542 1.595 1.00 0.00 N ATOM 1357 CA LYS A 87 -15.294 11.771 2.245 1.00 0.00 C ATOM 1358 C LYS A 87 -16.419 11.517 3.199 1.00 0.00 C ATOM 1359 O LYS A 87 -17.306 10.733 2.940 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.784 12.800 1.238 1.00 0.00 C ATOM 1361 CG LYS A 87 -14.711 13.576 0.510 1.00 0.00 C ATOM 1362 CD LYS A 87 -14.114 12.768 -0.616 1.00 0.00 C ATOM 1363 CE LYS A 87 -13.194 13.628 -1.465 1.00 0.00 C ATOM 1364 NZ LYS A 87 -13.456 13.454 -2.930 1.00 0.00 N ATOM 0 H LYS A 87 -15.501 10.215 0.856 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.418 12.149 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.401 12.290 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.429 13.509 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.134 14.499 0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.927 13.860 1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.558 11.924 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.910 12.356 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.326 14.676 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.157 13.372 -1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.556 13.489 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.915 12.535 -3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.079 14.217 -3.264 1.00 0.00 H new ATOM 1378 N TYR A 88 -16.359 12.219 4.281 1.00 0.00 N ATOM 1379 CA TYR A 88 -17.336 12.200 5.318 1.00 0.00 C ATOM 1380 C TYR A 88 -18.104 13.502 5.365 1.00 0.00 C ATOM 1381 O TYR A 88 -18.326 14.077 6.422 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.666 11.858 6.641 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.330 10.402 6.737 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -17.346 9.479 6.957 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -15.037 9.928 6.590 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -17.087 8.135 7.041 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.769 8.570 6.678 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.805 7.683 6.907 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.558 6.333 7.006 1.00 0.00 O ATOM 0 H TYR A 88 -15.586 12.855 4.476 1.00 0.00 H new ATOM 0 HA TYR A 88 -18.074 11.425 5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.756 12.448 6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.326 12.133 7.464 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -18.362 9.828 7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.230 10.622 6.405 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.893 7.437 7.212 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.758 8.208 6.568 1.00 0.00 H new ATOM 0 HH TYR A 88 -16.399 5.858 7.171 1.00 0.00 H new ATOM 1399 N SER A 89 -18.551 13.929 4.196 1.00 0.00 N ATOM 1400 CA SER A 89 -19.251 15.182 4.052 1.00 0.00 C ATOM 1401 C SER A 89 -20.633 15.077 4.651 1.00 0.00 C ATOM 1402 O SER A 89 -21.509 14.428 4.108 1.00 0.00 O ATOM 1403 CB SER A 89 -19.359 15.522 2.574 1.00 0.00 C ATOM 1404 OG SER A 89 -18.120 15.283 1.907 1.00 0.00 O ATOM 0 H SER A 89 -18.436 13.413 3.324 1.00 0.00 H new ATOM 0 HA SER A 89 -18.701 15.966 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.146 14.923 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.645 16.567 2.457 1.00 0.00 H new ATOM 0 HG SER A 89 -18.211 15.506 0.957 1.00 0.00 H new ATOM 1410 N CYS A 90 -20.798 15.700 5.781 1.00 0.00 N ATOM 1411 CA CYS A 90 -22.068 15.717 6.473 1.00 0.00 C ATOM 1412 C CYS A 90 -23.032 16.686 5.765 1.00 0.00 C ATOM 1413 O CYS A 90 -24.237 16.465 5.700 1.00 0.00 O ATOM 1414 CB CYS A 90 -21.798 16.244 7.890 1.00 0.00 C ATOM 1415 SG CYS A 90 -20.458 15.382 8.783 1.00 0.00 S ATOM 0 H CYS A 90 -20.057 16.215 6.256 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.511 14.721 6.489 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -21.551 17.304 7.828 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -22.715 16.164 8.474 1.00 0.00 H new ATOM 1420 N THR A 91 -22.457 17.782 5.265 1.00 0.00 N ATOM 1421 CA THR A 91 -23.211 18.902 4.693 1.00 0.00 C ATOM 1422 C THR A 91 -22.306 19.778 3.768 1.00 0.00 C ATOM 1423 O THR A 91 -21.107 19.767 3.911 1.00 0.00 O ATOM 1424 CB THR A 91 -23.775 19.754 5.851 1.00 0.00 C ATOM 1425 OG1 THR A 91 -24.748 18.998 6.589 1.00 0.00 O ATOM 1426 CG2 THR A 91 -24.372 21.057 5.374 1.00 0.00 C ATOM 0 H THR A 91 -21.446 17.919 5.245 1.00 0.00 H new ATOM 0 HA THR A 91 -24.024 18.513 4.081 1.00 0.00 H new ATOM 0 HB THR A 91 -22.939 20.009 6.503 1.00 0.00 H new ATOM 0 HG1 THR A 91 -24.770 18.077 6.254 1.00 0.00 H new ATOM 0 HG21 THR A 91 -24.754 21.617 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 91 -23.606 21.645 4.868 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.188 20.851 4.681 1.00 0.00 H new ATOM 1434 N LYS A 92 -22.852 20.428 2.771 1.00 0.00 N ATOM 1435 CA LYS A 92 -22.068 21.383 2.032 1.00 0.00 C ATOM 1436 C LYS A 92 -21.600 22.615 2.875 1.00 0.00 C ATOM 1437 O LYS A 92 -20.432 23.001 2.828 1.00 0.00 O ATOM 1438 CB LYS A 92 -22.771 21.805 0.760 1.00 0.00 C ATOM 1439 CG LYS A 92 -21.952 22.767 -0.041 1.00 0.00 C ATOM 1440 CD LYS A 92 -20.664 22.123 -0.478 1.00 0.00 C ATOM 1441 CE LYS A 92 -19.826 23.092 -1.241 1.00 0.00 C ATOM 1442 NZ LYS A 92 -18.519 22.504 -1.610 1.00 0.00 N ATOM 0 H LYS A 92 -23.816 20.317 2.457 1.00 0.00 H new ATOM 0 HA LYS A 92 -21.150 20.862 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -22.988 20.924 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -23.728 22.264 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -22.516 23.096 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -21.738 23.655 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -20.115 21.767 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -20.878 21.252 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -20.355 23.401 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.667 23.988 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -17.961 23.204 -2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.005 22.232 -0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.672 21.663 -2.202 1.00 0.00 H new ATOM 1456 N GLY A 93 -22.524 23.193 3.650 1.00 0.00 N ATOM 1457 CA GLY A 93 -22.257 24.453 4.383 1.00 0.00 C ATOM 1458 C GLY A 93 -21.805 24.295 5.846 1.00 0.00 C ATOM 1459 O GLY A 93 -21.954 25.217 6.641 1.00 0.00 O ATOM 0 H GLY A 93 -23.462 22.817 3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -21.490 25.009 3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -23.162 25.060 4.366 1.00 0.00 H new ATOM 1463 N TYR A 94 -21.268 23.156 6.180 1.00 0.00 N ATOM 1464 CA TYR A 94 -20.841 22.851 7.555 1.00 0.00 C ATOM 1465 C TYR A 94 -19.350 22.584 7.506 1.00 0.00 C ATOM 1466 O TYR A 94 -18.760 22.618 6.429 1.00 0.00 O ATOM 1467 CB TYR A 94 -21.537 21.567 8.071 1.00 0.00 C ATOM 1468 CG TYR A 94 -20.753 20.305 7.777 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.454 19.966 6.495 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.244 19.505 8.792 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.691 18.867 6.189 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.471 18.398 8.500 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.204 18.089 7.186 1.00 0.00 C ATOM 1474 OH TYR A 94 -18.452 16.989 6.867 1.00 0.00 O ATOM 0 H TYR A 94 -21.105 22.397 5.519 1.00 0.00 H new ATOM 0 HA TYR A 94 -21.095 23.681 8.214 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -21.688 21.651 9.147 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -22.524 21.488 7.616 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -20.829 20.582 5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -20.455 19.751 9.822 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.480 18.623 5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.080 17.781 9.295 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.749 17.246 6.235 1.00 0.00 H new ATOM 1484 N ARG A 95 -18.738 22.348 8.632 1.00 0.00 N ATOM 1485 CA ARG A 95 -17.361 21.986 8.628 1.00 0.00 C ATOM 1486 C ARG A 95 -17.160 20.741 9.474 1.00 0.00 C ATOM 1487 O ARG A 95 -17.827 20.553 10.484 1.00 0.00 O ATOM 1488 CB ARG A 95 -16.472 23.151 9.107 1.00 0.00 C ATOM 1489 CG ARG A 95 -16.744 23.616 10.533 1.00 0.00 C ATOM 1490 CD ARG A 95 -15.799 24.745 10.934 1.00 0.00 C ATOM 1491 NE ARG A 95 -16.031 25.202 12.305 1.00 0.00 N ATOM 1492 CZ ARG A 95 -16.820 26.230 12.653 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -17.219 27.117 11.744 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -17.150 26.409 13.926 1.00 0.00 N ATOM 0 H ARG A 95 -19.172 22.401 9.554 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.058 21.763 7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -15.428 22.848 9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -16.609 23.996 8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.777 23.955 10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -16.627 22.778 11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -14.768 24.405 10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -15.925 25.582 10.248 1.00 0.00 H new ATOM 0 HE ARG A 95 -15.556 24.700 13.055 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -16.925 27.019 10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -17.819 27.895 12.019 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -16.804 25.766 14.638 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -17.750 27.190 14.192 1.00 0.00 H new ATOM 1508 N LEU A 96 -16.266 19.874 9.040 1.00 0.00 N ATOM 1509 CA LEU A 96 -15.972 18.666 9.788 1.00 0.00 C ATOM 1510 C LEU A 96 -14.676 18.844 10.544 1.00 0.00 C ATOM 1511 O LEU A 96 -13.630 19.098 9.965 1.00 0.00 O ATOM 1512 CB LEU A 96 -15.909 17.477 8.813 1.00 0.00 C ATOM 1513 CG LEU A 96 -15.822 16.098 9.446 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -16.606 15.101 8.648 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -14.396 15.644 9.531 1.00 0.00 C ATOM 0 H LEU A 96 -15.732 19.982 8.177 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.756 18.466 10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.794 17.507 8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.044 17.612 8.163 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.240 16.167 10.451 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.531 14.120 9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.652 15.407 8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -16.206 15.050 7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.356 14.655 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.968 15.600 8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.826 16.347 10.138 1.00 0.00 H new ATOM 1527 N ILE A 97 -14.784 18.712 11.866 1.00 0.00 N ATOM 1528 CA ILE A 97 -13.677 18.978 12.775 1.00 0.00 C ATOM 1529 C ILE A 97 -12.517 17.991 12.588 1.00 0.00 C ATOM 1530 O ILE A 97 -11.359 18.384 12.563 1.00 0.00 O ATOM 1531 CB ILE A 97 -14.144 18.925 14.243 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -15.353 19.860 14.473 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -12.992 19.328 15.158 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -15.093 21.325 14.174 1.00 0.00 C ATOM 0 H ILE A 97 -15.642 18.418 12.333 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.320 19.979 12.535 1.00 0.00 H new ATOM 0 HB ILE A 97 -14.455 17.906 14.473 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -16.181 19.519 13.852 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -15.673 19.767 15.511 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -13.322 19.291 16.196 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.158 18.640 15.017 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.672 20.341 14.915 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -15.998 21.901 14.365 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -14.289 21.690 14.813 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -14.805 21.437 13.129 1.00 0.00 H new ATOM 1546 N GLY A 98 -12.858 16.702 12.470 1.00 0.00 N ATOM 1547 CA GLY A 98 -11.838 15.668 12.337 1.00 0.00 C ATOM 1548 C GLY A 98 -11.358 15.462 10.932 1.00 0.00 C ATOM 1549 O GLY A 98 -11.043 16.418 10.225 1.00 0.00 O ATOM 0 H GLY A 98 -13.818 16.359 12.464 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.987 15.929 12.966 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.238 14.727 12.715 1.00 0.00 H new ATOM 1553 N SER A 99 -11.331 14.219 10.508 1.00 0.00 N ATOM 1554 CA SER A 99 -10.838 13.920 9.183 1.00 0.00 C ATOM 1555 C SER A 99 -11.989 13.725 8.201 1.00 0.00 C ATOM 1556 O SER A 99 -12.694 12.739 8.241 1.00 0.00 O ATOM 1557 CB SER A 99 -9.986 12.648 9.239 1.00 0.00 C ATOM 1558 OG SER A 99 -9.115 12.557 8.134 1.00 0.00 O ATOM 0 H SER A 99 -11.639 13.412 11.050 1.00 0.00 H new ATOM 0 HA SER A 99 -10.235 14.759 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.406 12.638 10.162 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.637 11.774 9.263 1.00 0.00 H new ATOM 0 HG SER A 99 -8.585 11.735 8.202 1.00 0.00 H new ATOM 1564 N SER A 100 -12.163 14.693 7.327 1.00 0.00 N ATOM 1565 CA SER A 100 -13.154 14.646 6.286 1.00 0.00 C ATOM 1566 C SER A 100 -12.905 13.468 5.351 1.00 0.00 C ATOM 1567 O SER A 100 -13.835 12.807 4.930 1.00 0.00 O ATOM 1568 CB SER A 100 -13.162 15.959 5.513 1.00 0.00 C ATOM 1569 OG SER A 100 -13.339 17.059 6.382 1.00 0.00 O ATOM 0 H SER A 100 -11.607 15.548 7.324 1.00 0.00 H new ATOM 0 HA SER A 100 -14.133 14.505 6.744 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.225 16.069 4.968 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.962 15.944 4.773 1.00 0.00 H new ATOM 0 HG SER A 100 -13.339 17.890 5.862 1.00 0.00 H new ATOM 1575 N SER A 101 -11.648 13.224 5.004 1.00 0.00 N ATOM 1576 CA SER A 101 -11.342 12.100 4.164 1.00 0.00 C ATOM 1577 C SER A 101 -10.431 11.097 4.882 1.00 0.00 C ATOM 1578 O SER A 101 -9.245 11.344 5.092 1.00 0.00 O ATOM 1579 CB SER A 101 -10.714 12.585 2.858 1.00 0.00 C ATOM 1580 OG SER A 101 -9.650 13.491 3.104 1.00 0.00 O ATOM 0 H SER A 101 -10.845 13.784 5.290 1.00 0.00 H new ATOM 0 HA SER A 101 -12.270 11.578 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.344 11.731 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.473 13.070 2.245 1.00 0.00 H new ATOM 0 HG SER A 101 -9.091 13.149 3.833 1.00 0.00 H new ATOM 1586 N ALA A 102 -11.025 9.976 5.274 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.314 8.868 5.921 1.00 0.00 C ATOM 1588 C ALA A 102 -9.474 8.089 4.913 1.00 0.00 C ATOM 1589 O ALA A 102 -9.862 7.980 3.744 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.292 7.948 6.644 1.00 0.00 C ATOM 0 H ALA A 102 -12.023 9.804 5.153 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.635 9.291 6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.743 7.133 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.829 8.514 7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.004 7.538 5.927 1.00 0.00 H new ATOM 1596 N THR A 103 -8.343 7.550 5.338 1.00 0.00 N ATOM 1597 CA THR A 103 -7.523 6.749 4.444 1.00 0.00 C ATOM 1598 C THR A 103 -7.353 5.320 5.033 1.00 0.00 C ATOM 1599 O THR A 103 -6.968 5.167 6.185 1.00 0.00 O ATOM 1600 CB THR A 103 -6.133 7.407 4.294 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.304 8.758 3.846 1.00 0.00 O ATOM 1602 CG2 THR A 103 -5.298 6.670 3.262 1.00 0.00 C ATOM 0 H THR A 103 -7.975 7.650 6.284 1.00 0.00 H new ATOM 0 HA THR A 103 -8.007 6.686 3.469 1.00 0.00 H new ATOM 0 HB THR A 103 -5.627 7.373 5.259 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.427 9.184 3.750 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.323 7.150 3.172 1.00 0.00 H new ATOM 0 HG22 THR A 103 -5.165 5.634 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.805 6.696 2.298 1.00 0.00 H new ATOM 1610 N CYS A 104 -7.660 4.285 4.236 1.00 0.00 N ATOM 1611 CA CYS A 104 -7.517 2.880 4.692 1.00 0.00 C ATOM 1612 C CYS A 104 -6.159 2.304 4.366 1.00 0.00 C ATOM 1613 O CYS A 104 -5.755 2.216 3.199 1.00 0.00 O ATOM 1614 CB CYS A 104 -8.725 2.004 4.219 1.00 0.00 C ATOM 1615 SG CYS A 104 -8.648 0.161 4.503 1.00 0.00 S ATOM 0 H CYS A 104 -8.006 4.385 3.282 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.558 2.872 5.781 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -9.621 2.379 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -8.857 2.170 3.150 1.00 0.00 H new ATOM 1620 N ILE A 105 -5.462 1.915 5.422 1.00 0.00 N ATOM 1621 CA ILE A 105 -4.110 1.405 5.338 1.00 0.00 C ATOM 1622 C ILE A 105 -4.014 0.059 6.059 1.00 0.00 C ATOM 1623 O ILE A 105 -4.891 -0.270 6.867 1.00 0.00 O ATOM 1624 CB ILE A 105 -3.049 2.405 5.906 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.258 2.660 7.413 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -3.081 3.716 5.127 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.338 3.676 7.737 1.00 0.00 C ATOM 0 H ILE A 105 -5.828 1.947 6.373 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.881 1.273 4.281 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.066 1.951 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.509 1.716 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.317 2.999 7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.337 4.400 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.858 3.521 4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.071 4.165 5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.416 3.792 8.818 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.082 4.635 7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.293 3.332 7.339 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.957 -0.721 5.794 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.881 -2.046 6.384 1.00 0.00 C ATOM 1641 C ILE A 106 -2.296 -1.918 7.809 1.00 0.00 C ATOM 1642 O ILE A 106 -1.201 -1.391 7.983 1.00 0.00 O ATOM 1643 CB ILE A 106 -1.869 -2.955 5.602 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -2.059 -2.911 4.063 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -2.021 -4.386 6.075 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -3.386 -3.352 3.580 1.00 0.00 C ATOM 0 H ILE A 106 -2.173 -0.462 5.195 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.883 -2.475 6.366 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.872 -2.568 5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.886 -1.891 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.295 -3.536 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.321 -5.024 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.812 -4.440 7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.040 -4.725 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.418 -3.284 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.560 -4.384 3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.159 -2.713 4.006 1.00 0.00 H new ATOM 1658 N SER A 107 -3.040 -2.378 8.810 1.00 0.00 N ATOM 1659 CA SER A 107 -2.568 -2.406 10.196 1.00 0.00 C ATOM 1660 C SER A 107 -1.437 -3.402 10.385 1.00 0.00 C ATOM 1661 O SER A 107 -0.496 -3.179 11.151 1.00 0.00 O ATOM 1662 CB SER A 107 -3.721 -2.707 11.153 1.00 0.00 C ATOM 1663 OG SER A 107 -4.323 -3.955 10.850 1.00 0.00 O ATOM 0 H SER A 107 -3.985 -2.742 8.687 1.00 0.00 H new ATOM 0 HA SER A 107 -2.174 -1.417 10.428 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.353 -2.717 12.179 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.467 -1.915 11.089 1.00 0.00 H new ATOM 0 HG SER A 107 -4.486 -4.014 9.886 1.00 0.00 H new ATOM 1669 N GLY A 108 -1.551 -4.497 9.670 1.00 0.00 N ATOM 1670 CA GLY A 108 -0.636 -5.593 9.797 1.00 0.00 C ATOM 1671 C GLY A 108 -1.360 -6.917 9.607 1.00 0.00 C ATOM 1672 O GLY A 108 -0.852 -7.813 8.934 1.00 0.00 O ATOM 0 H GLY A 108 -2.288 -4.647 8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.160 -5.498 9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.164 -5.568 10.779 1.00 0.00 H new ATOM 1676 N ASP A 109 -2.543 -7.048 10.217 1.00 0.00 N ATOM 1677 CA ASP A 109 -3.370 -8.248 10.008 1.00 0.00 C ATOM 1678 C ASP A 109 -4.679 -7.908 9.285 1.00 0.00 C ATOM 1679 O ASP A 109 -5.405 -8.798 8.814 1.00 0.00 O ATOM 1680 CB ASP A 109 -3.755 -8.844 11.371 1.00 0.00 C ATOM 1681 CG ASP A 109 -4.464 -7.834 12.297 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -4.400 -6.610 12.033 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -5.111 -8.269 13.275 1.00 0.00 O ATOM 0 H ASP A 109 -2.946 -6.355 10.848 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.786 -8.946 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.407 -9.703 11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.857 -9.213 11.866 1.00 0.00 H new ATOM 1688 N THR A 110 -4.963 -6.640 9.180 1.00 0.00 N ATOM 1689 CA THR A 110 -6.192 -6.178 8.600 1.00 0.00 C ATOM 1690 C THR A 110 -5.998 -4.785 8.032 1.00 0.00 C ATOM 1691 O THR A 110 -4.917 -4.216 8.155 1.00 0.00 O ATOM 1692 CB THR A 110 -7.379 -6.235 9.612 1.00 0.00 C ATOM 1693 OG1 THR A 110 -8.613 -5.984 8.930 1.00 0.00 O ATOM 1694 CG2 THR A 110 -7.206 -5.220 10.730 1.00 0.00 C ATOM 0 H THR A 110 -4.344 -5.894 9.497 1.00 0.00 H new ATOM 0 HA THR A 110 -6.461 -6.851 7.786 1.00 0.00 H new ATOM 0 HB THR A 110 -7.393 -7.232 10.053 1.00 0.00 H new ATOM 0 HG1 THR A 110 -9.354 -6.023 9.570 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.050 -5.287 11.416 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.282 -5.427 11.270 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.161 -4.217 10.307 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.999 -4.258 7.370 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.906 -2.914 6.860 1.00 0.00 C ATOM 1704 C VAL A 111 -7.959 -2.043 7.549 1.00 0.00 C ATOM 1705 O VAL A 111 -9.121 -2.437 7.698 1.00 0.00 O ATOM 1706 CB VAL A 111 -7.157 -2.868 5.356 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -6.220 -3.772 4.656 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -8.555 -3.232 5.035 1.00 0.00 C ATOM 0 H VAL A 111 -7.879 -4.735 7.174 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.899 -2.548 7.059 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.989 -1.846 5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.408 -3.731 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.195 -3.460 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.365 -4.792 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.703 -3.190 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.759 -4.242 5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.234 -2.532 5.522 1.00 0.00 H new ATOM 1718 N ILE A 112 -7.539 -0.911 8.028 1.00 0.00 N ATOM 1719 CA ILE A 112 -8.434 -0.002 8.698 1.00 0.00 C ATOM 1720 C ILE A 112 -8.322 1.392 8.136 1.00 0.00 C ATOM 1721 O ILE A 112 -7.328 1.738 7.504 1.00 0.00 O ATOM 1722 CB ILE A 112 -8.203 0.037 10.225 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.777 0.497 10.547 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -8.532 -1.308 10.882 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.525 0.732 12.023 1.00 0.00 C ATOM 0 H ILE A 112 -6.573 -0.588 7.969 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.440 -0.382 8.519 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.890 0.769 10.649 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.074 -0.252 10.183 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.571 1.419 10.002 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.357 -1.241 11.956 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.578 -1.556 10.699 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.896 -2.085 10.459 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.494 1.055 12.169 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -7.202 1.503 12.390 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.697 -0.193 12.573 1.00 0.00 H new ATOM 1737 N TRP A 113 -9.343 2.184 8.368 1.00 0.00 N ATOM 1738 CA TRP A 113 -9.351 3.570 7.958 1.00 0.00 C ATOM 1739 C TRP A 113 -8.724 4.389 9.102 1.00 0.00 C ATOM 1740 O TRP A 113 -8.922 4.069 10.274 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.793 4.014 7.704 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.451 3.315 6.536 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -12.205 2.175 6.589 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -11.456 3.718 5.166 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.650 1.839 5.350 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -12.222 2.762 4.457 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.896 4.775 4.463 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -12.437 2.844 3.085 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -11.111 4.857 3.099 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -11.878 3.894 2.429 1.00 0.00 C ATOM 0 H TRP A 113 -10.193 1.886 8.847 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.785 3.716 7.038 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.383 3.833 8.603 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.806 5.089 7.526 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.417 1.619 7.490 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.217 1.021 5.128 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -10.303 5.520 4.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -13.024 2.103 2.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -10.681 5.676 2.541 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -12.028 3.989 1.364 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.973 5.417 8.762 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.169 6.166 9.746 1.00 0.00 C ATOM 1763 C ASP A 114 -7.904 7.323 10.429 1.00 0.00 C ATOM 1764 O ASP A 114 -7.317 8.030 11.257 1.00 0.00 O ATOM 1765 CB ASP A 114 -5.856 6.659 9.111 1.00 0.00 C ATOM 1766 CG ASP A 114 -6.058 7.720 8.031 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.232 8.015 7.683 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -5.047 8.242 7.509 1.00 0.00 O ATOM 0 H ASP A 114 -7.893 5.766 7.807 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.953 5.453 10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.215 7.066 9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.330 5.808 8.678 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.167 7.520 10.097 1.00 0.00 N ATOM 1774 CA GLN A 115 -9.961 8.572 10.743 1.00 0.00 C ATOM 1775 C GLN A 115 -10.193 8.287 12.217 1.00 0.00 C ATOM 1776 O GLN A 115 -10.538 7.168 12.606 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.298 8.780 10.064 1.00 0.00 C ATOM 1778 CG GLN A 115 -12.092 9.909 10.686 1.00 0.00 C ATOM 1779 CD GLN A 115 -13.446 10.091 10.070 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -14.077 9.141 9.648 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -13.905 11.314 10.031 1.00 0.00 N ATOM 0 H GLN A 115 -9.668 6.977 9.394 1.00 0.00 H new ATOM 0 HA GLN A 115 -9.372 9.484 10.646 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.137 8.992 9.007 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.878 7.859 10.119 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -12.209 9.717 11.753 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -11.528 10.837 10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.342 12.082 10.396 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -14.826 11.501 9.635 1.00 0.00 H new ATOM 1790 N GLU A 116 -10.013 9.329 13.035 1.00 0.00 N ATOM 1791 CA GLU A 116 -10.172 9.214 14.483 1.00 0.00 C ATOM 1792 C GLU A 116 -11.636 8.911 14.816 1.00 0.00 C ATOM 1793 O GLU A 116 -11.945 8.091 15.674 1.00 0.00 O ATOM 1794 CB GLU A 116 -9.833 10.558 15.158 1.00 0.00 C ATOM 1795 CG GLU A 116 -8.397 11.055 15.001 1.00 0.00 C ATOM 1796 CD GLU A 116 -8.171 11.777 13.674 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -9.108 11.809 12.837 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -7.088 12.364 13.502 1.00 0.00 O ATOM 0 H GLU A 116 -9.756 10.263 12.715 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.512 8.422 14.836 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.503 11.319 14.759 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.049 10.469 16.223 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.157 11.729 15.823 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.713 10.209 15.072 1.00 0.00 H new ATOM 1805 N THR A 117 -12.518 9.608 14.098 1.00 0.00 N ATOM 1806 CA THR A 117 -13.964 9.508 14.252 1.00 0.00 C ATOM 1807 C THR A 117 -14.610 10.621 13.424 1.00 0.00 C ATOM 1808 O THR A 117 -14.138 11.764 13.457 1.00 0.00 O ATOM 1809 CB THR A 117 -14.404 9.657 15.755 1.00 0.00 C ATOM 1810 OG1 THR A 117 -15.824 9.496 15.868 1.00 0.00 O ATOM 1811 CG2 THR A 117 -14.013 11.022 16.316 1.00 0.00 C ATOM 0 H THR A 117 -12.237 10.272 13.377 1.00 0.00 H new ATOM 0 HA THR A 117 -14.285 8.524 13.911 1.00 0.00 H new ATOM 0 HB THR A 117 -13.892 8.884 16.328 1.00 0.00 H new ATOM 0 HG1 THR A 117 -16.090 9.588 16.807 1.00 0.00 H new ATOM 0 HG21 THR A 117 -14.331 11.093 17.356 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.931 11.143 16.259 1.00 0.00 H new ATOM 0 HG23 THR A 117 -14.497 11.807 15.734 1.00 0.00 H new ATOM 1819 N PRO A 118 -15.642 10.325 12.607 1.00 0.00 N ATOM 1820 CA PRO A 118 -16.292 11.376 11.833 1.00 0.00 C ATOM 1821 C PRO A 118 -16.913 12.397 12.766 1.00 0.00 C ATOM 1822 O PRO A 118 -17.489 12.039 13.791 1.00 0.00 O ATOM 1823 CB PRO A 118 -17.363 10.607 11.021 1.00 0.00 C ATOM 1824 CG PRO A 118 -16.901 9.182 11.066 1.00 0.00 C ATOM 1825 CD PRO A 118 -16.254 9.014 12.402 1.00 0.00 C ATOM 0 HA PRO A 118 -15.615 11.938 11.190 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.354 10.719 11.461 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.426 10.974 9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -17.738 8.494 10.946 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -16.198 8.972 10.260 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -16.979 8.776 13.180 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -15.514 8.214 12.400 1.00 0.00 H new ATOM 1833 N ILE A 119 -16.806 13.664 12.418 1.00 0.00 N ATOM 1834 CA ILE A 119 -17.341 14.698 13.261 1.00 0.00 C ATOM 1835 C ILE A 119 -18.217 15.626 12.423 1.00 0.00 C ATOM 1836 O ILE A 119 -17.768 16.115 11.414 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.182 15.509 13.804 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -15.272 14.604 14.619 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -16.737 16.617 14.705 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -13.965 15.206 14.934 1.00 0.00 C ATOM 0 H ILE A 119 -16.357 13.994 11.564 1.00 0.00 H new ATOM 0 HA ILE A 119 -17.926 14.258 14.068 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.615 15.946 12.982 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -15.775 14.341 15.550 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -15.112 13.676 14.070 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.913 17.209 15.103 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.399 17.260 14.125 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.294 16.171 15.529 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.371 14.502 15.517 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.441 15.443 14.008 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.114 16.119 15.510 1.00 0.00 H new ATOM 1852 N CYS A 120 -19.407 15.907 12.828 1.00 0.00 N ATOM 1853 CA CYS A 120 -20.209 16.840 12.042 1.00 0.00 C ATOM 1854 C CYS A 120 -20.484 18.094 12.889 1.00 0.00 C ATOM 1855 O CYS A 120 -21.382 18.086 13.726 1.00 0.00 O ATOM 1856 CB CYS A 120 -21.532 16.177 11.550 1.00 0.00 C ATOM 1857 SG CYS A 120 -21.267 14.664 10.502 1.00 0.00 S ATOM 0 H CYS A 120 -19.853 15.531 13.665 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.657 17.128 11.148 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -22.136 15.907 12.416 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.103 16.908 10.978 1.00 0.00 H new ATOM 1862 N ASP A 121 -19.670 19.173 12.689 1.00 0.00 N ATOM 1863 CA ASP A 121 -19.779 20.372 13.541 1.00 0.00 C ATOM 1864 C ASP A 121 -21.148 21.023 13.411 1.00 0.00 C ATOM 1865 O ASP A 121 -21.834 21.251 14.409 1.00 0.00 O ATOM 1866 CB ASP A 121 -18.680 21.380 13.191 1.00 0.00 C ATOM 1867 CG ASP A 121 -18.737 22.667 14.016 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -19.470 22.715 15.030 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -18.036 23.617 13.654 1.00 0.00 O ATOM 0 H ASP A 121 -18.955 19.227 11.964 1.00 0.00 H new ATOM 0 HA ASP A 121 -19.653 20.055 14.576 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -17.708 20.909 13.337 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -18.756 21.634 12.134 1.00 0.00 H new ATOM 1874 N ARG A 122 -21.575 21.228 12.145 1.00 0.00 N ATOM 1875 CA ARG A 122 -22.871 21.847 11.832 1.00 0.00 C ATOM 1876 C ARG A 122 -23.275 22.922 12.852 1.00 0.00 C ATOM 1877 O ARG A 122 -23.166 24.128 12.511 1.00 0.00 O ATOM 1878 CB ARG A 122 -23.947 20.786 11.718 1.00 0.00 C ATOM 1879 CG ARG A 122 -25.348 21.340 11.573 1.00 0.00 C ATOM 1880 CD ARG A 122 -26.341 20.227 11.396 1.00 0.00 C ATOM 1881 NE ARG A 122 -26.139 19.556 10.121 1.00 0.00 N ATOM 1882 CZ ARG A 122 -26.698 18.395 9.780 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -27.406 17.698 10.661 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -26.515 17.914 8.560 1.00 0.00 N ATOM 0 H ARG A 122 -21.032 20.969 11.321 1.00 0.00 H new ATOM 0 HA ARG A 122 -22.762 22.352 10.872 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -23.728 20.152 10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -23.909 20.149 12.602 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -25.605 21.928 12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -25.392 22.013 10.717 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -26.240 19.510 12.210 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -27.354 20.625 11.446 1.00 0.00 H new ATOM 0 HE ARG A 122 -25.527 20.006 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -27.527 18.050 11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -27.829 16.811 10.388 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -25.949 18.431 7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -26.940 17.026 8.293 1.00 0.00 H new