USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 679 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 34 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 12 ASN : amide:sc= 1.56 K(o=2.7,f=-0.99) USER MOD Set 2.2: A 46 SER OG : rot -159:sc= 1.1 USER MOD Set 3.1: A 41 LYS NZ :NH3+ -173:sc= 2.46 (180deg=2.45) USER MOD Set 3.2: A 47 TYR OH : rot -86:sc= -0.0589 USER MOD Set 4.1: A 13 HIS : no HE2:sc= -0.598 K(o=-6.7,f=-8.5) USER MOD Set 4.2: A 33 HIS : no HE2:sc= -0.489 K(o=-6.7,f=-11!) USER MOD Set 4.3: A 81 HIS : no HD1:sc= -5.62! C(o=-6.7!,f=-12!) USER MOD Set 5.1: A 20 THR OG1 : rot -21:sc= 0.654 USER MOD Set 5.2: A 23 ASN : amide:sc= 0.0497 K(o=1.9,f=1) USER MOD Set 5.3: A 28 LYS NZ :NH3+ -153:sc= 1.19 (180deg=0.39) USER MOD Single : A 1 MET CE :methyl -172:sc= -0.276 (180deg=-0.454) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.178 (180deg=-0.592) USER MOD Single : A 7 ASN : amide:sc= -0.0208 K(o=-0.021,f=-0.62) USER MOD Single : A 16 SER OG : rot -39:sc= 1.24 USER MOD Single : A 17 GLN : amide:sc=-0.00874 K(o=-0.0087,f=-2.2!) USER MOD Single : A 22 CYS SG : rot -58:sc= -0.0506 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -63:sc= 0.00105 USER MOD Single : A 26 TYR OH : rot 27:sc= 0.745 USER MOD Single : A 27 CYS SG : rot -150:sc=-0.00361 USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0.995 (180deg=0.92) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc=-0.00906 USER MOD Single : A 32 TYR OH : rot 84:sc= 0.561 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 47:sc= 0.388 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 142:sc= 0.98 (180deg=0.304) USER MOD Single : A 54 GLN : amide:sc= 0.291 X(o=0.29,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.268 K(o=-0.27,f=-3.4!) USER MOD Single : A 62 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.15) USER MOD Single : A 63 GLN : amide:sc= 0.0269 K(o=0.027,f=-0.87) USER MOD Single : A 65 HIS : no HE2:sc= -0.364 K(o=-0.36,f=-1.1) USER MOD Single : A 66 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.9!) USER MOD Single : A 72 GLN : amide:sc= 0.152 K(o=0.15,f=-3.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.053 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.13) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.774 4.479 -1.896 1.00 0.00 N ATOM 2 CA MET A 1 10.351 4.858 -2.061 1.00 0.00 C ATOM 3 C MET A 1 9.990 6.149 -1.245 1.00 0.00 C ATOM 4 O MET A 1 9.566 7.123 -1.851 1.00 0.00 O ATOM 5 CB MET A 1 9.474 3.662 -1.699 1.00 0.00 C ATOM 6 CG MET A 1 9.457 2.480 -2.681 1.00 0.00 C ATOM 7 SD MET A 1 8.406 1.171 -1.998 1.00 0.00 S ATOM 8 CE MET A 1 8.618 0.052 -3.386 1.00 0.00 C ATOM 0 H1 MET A 1 12.123 4.048 -2.776 1.00 0.00 H new ATOM 0 H2 MET A 1 12.336 5.327 -1.679 1.00 0.00 H new ATOM 0 H3 MET A 1 11.863 3.796 -1.117 1.00 0.00 H new ATOM 0 HA MET A 1 10.164 5.118 -3.103 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.796 3.289 -0.727 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.450 4.017 -1.581 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.078 2.801 -3.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.469 2.107 -2.841 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.944 -0.797 -3.275 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.391 0.577 -4.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.648 -0.304 -3.413 1.00 0.00 H new ATOM 19 N ASP A 2 10.190 6.210 0.116 1.00 0.00 N ATOM 20 CA ASP A 2 9.938 7.452 0.947 1.00 0.00 C ATOM 21 C ASP A 2 10.643 8.830 0.528 1.00 0.00 C ATOM 22 O ASP A 2 9.921 9.820 0.694 1.00 0.00 O ATOM 23 CB ASP A 2 10.250 7.084 2.411 1.00 0.00 C ATOM 24 CG ASP A 2 9.776 8.045 3.477 1.00 0.00 C ATOM 25 OD1 ASP A 2 10.336 9.168 3.588 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.958 7.640 4.305 1.00 0.00 O ATOM 0 H ASP A 2 10.524 5.417 0.663 1.00 0.00 H new ATOM 0 HA ASP A 2 8.894 7.709 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.811 6.108 2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.330 6.975 2.510 1.00 0.00 H new ATOM 31 N PRO A 3 11.920 9.024 0.090 1.00 0.00 N ATOM 32 CA PRO A 3 12.519 10.371 -0.029 1.00 0.00 C ATOM 33 C PRO A 3 11.997 11.416 -1.162 1.00 0.00 C ATOM 34 O PRO A 3 12.387 12.596 -1.167 1.00 0.00 O ATOM 35 CB PRO A 3 13.989 9.956 -0.192 1.00 0.00 C ATOM 36 CG PRO A 3 14.045 8.655 -0.888 1.00 0.00 C ATOM 37 CD PRO A 3 12.858 7.936 -0.255 1.00 0.00 C ATOM 0 HA PRO A 3 12.248 11.002 0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.533 10.711 -0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.470 9.883 0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.936 8.760 -1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.985 8.133 -0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.407 7.225 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.158 7.373 0.629 1.00 0.00 H new ATOM 45 N VAL A 4 11.028 11.031 -2.009 1.00 0.00 N ATOM 46 CA VAL A 4 10.476 11.971 -3.091 1.00 0.00 C ATOM 47 C VAL A 4 9.503 13.068 -2.468 1.00 0.00 C ATOM 48 O VAL A 4 9.925 14.025 -1.818 1.00 0.00 O ATOM 49 CB VAL A 4 9.957 11.176 -4.319 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.614 12.028 -5.552 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.871 10.027 -4.859 1.00 0.00 C ATOM 0 H VAL A 4 10.597 10.107 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 4 11.283 12.571 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 4 9.064 10.750 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.261 11.381 -6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.834 12.744 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.504 12.564 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.392 9.554 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.833 10.440 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.026 9.286 -4.075 1.00 0.00 H new ATOM 61 N ASP A 5 8.166 12.932 -2.629 1.00 0.00 N ATOM 62 CA ASP A 5 7.138 13.823 -1.979 1.00 0.00 C ATOM 63 C ASP A 5 6.047 13.069 -1.139 1.00 0.00 C ATOM 64 O ASP A 5 5.869 13.436 0.055 1.00 0.00 O ATOM 65 CB ASP A 5 6.751 15.084 -2.788 1.00 0.00 C ATOM 66 CG ASP A 5 6.031 15.025 -4.086 1.00 0.00 C ATOM 67 OD1 ASP A 5 5.941 13.991 -4.769 1.00 0.00 O ATOM 68 OD2 ASP A 5 5.467 16.074 -4.387 1.00 0.00 O ATOM 0 H ASP A 5 7.754 12.204 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 5 7.653 14.324 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.144 15.702 -2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.677 15.629 -2.973 1.00 0.00 H new ATOM 73 N PRO A 6 5.282 11.992 -1.577 1.00 0.00 N ATOM 74 CA PRO A 6 5.233 11.462 -2.953 1.00 0.00 C ATOM 75 C PRO A 6 3.839 11.646 -3.712 1.00 0.00 C ATOM 76 O PRO A 6 2.766 11.463 -3.118 1.00 0.00 O ATOM 77 CB PRO A 6 5.575 9.978 -2.662 1.00 0.00 C ATOM 78 CG PRO A 6 4.980 9.627 -1.315 1.00 0.00 C ATOM 79 CD PRO A 6 4.765 10.972 -0.615 1.00 0.00 C ATOM 0 HA PRO A 6 5.897 11.980 -3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.169 9.332 -3.440 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.655 9.828 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.041 9.086 -1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.650 8.986 -0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.711 11.137 -0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.302 11.015 0.333 1.00 0.00 H new ATOM 87 N ASN A 7 3.879 12.086 -4.985 1.00 0.00 N ATOM 88 CA ASN A 7 2.659 12.341 -5.798 1.00 0.00 C ATOM 89 C ASN A 7 1.918 11.038 -6.293 1.00 0.00 C ATOM 90 O ASN A 7 0.933 10.594 -5.687 1.00 0.00 O ATOM 91 CB ASN A 7 3.009 13.320 -6.957 1.00 0.00 C ATOM 92 CG ASN A 7 3.111 14.815 -6.633 1.00 0.00 C ATOM 93 OD1 ASN A 7 2.237 15.418 -6.015 1.00 0.00 O ATOM 94 ND2 ASN A 7 4.166 15.415 -7.073 1.00 0.00 N ATOM 0 H ASN A 7 4.749 12.276 -5.482 1.00 0.00 H new ATOM 0 HA ASN A 7 1.924 12.811 -5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.962 13.005 -7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.256 13.198 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.290 16.414 -6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.876 14.890 -7.583 1.00 0.00 H new ATOM 101 N LEU A 8 2.333 10.425 -7.404 1.00 0.00 N ATOM 102 CA LEU A 8 1.765 9.115 -7.879 1.00 0.00 C ATOM 103 C LEU A 8 2.922 8.203 -8.288 1.00 0.00 C ATOM 104 O LEU A 8 3.474 8.232 -9.404 1.00 0.00 O ATOM 105 CB LEU A 8 0.765 9.233 -9.135 1.00 0.00 C ATOM 106 CG LEU A 8 -0.571 10.017 -8.976 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.324 10.193 -10.270 1.00 0.00 C ATOM 108 CD2 LEU A 8 -1.488 9.251 -8.023 1.00 0.00 C ATOM 0 H LEU A 8 3.063 10.800 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 8 1.182 8.720 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.319 9.694 -9.953 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.515 8.220 -9.450 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.302 11.005 -8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.244 10.747 -10.083 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.706 10.744 -10.979 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.568 9.215 -10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.426 9.794 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.690 8.260 -8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.003 9.152 -7.052 1.00 0.00 H new ATOM 120 N GLU A 9 3.399 7.439 -7.295 1.00 0.00 N ATOM 121 CA GLU A 9 4.673 6.682 -7.415 1.00 0.00 C ATOM 122 C GLU A 9 4.535 5.282 -8.138 1.00 0.00 C ATOM 123 O GLU A 9 3.511 4.617 -7.940 1.00 0.00 O ATOM 124 CB GLU A 9 5.239 6.569 -5.979 1.00 0.00 C ATOM 125 CG GLU A 9 6.780 6.379 -5.870 1.00 0.00 C ATOM 126 CD GLU A 9 7.409 6.274 -4.502 1.00 0.00 C ATOM 127 OE1 GLU A 9 7.013 7.013 -3.622 1.00 0.00 O ATOM 128 OE2 GLU A 9 8.249 5.360 -4.306 1.00 0.00 O ATOM 0 H GLU A 9 2.929 7.323 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 9 5.361 7.216 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.963 7.468 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.753 5.730 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.040 5.476 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.252 7.215 -6.386 1.00 0.00 H new ATOM 135 N PRO A 10 5.546 4.716 -8.846 1.00 0.00 N ATOM 136 CA PRO A 10 5.502 3.291 -9.358 1.00 0.00 C ATOM 137 C PRO A 10 5.108 2.130 -8.403 1.00 0.00 C ATOM 138 O PRO A 10 4.285 1.303 -8.784 1.00 0.00 O ATOM 139 CB PRO A 10 6.902 3.155 -10.083 1.00 0.00 C ATOM 140 CG PRO A 10 7.211 4.576 -10.565 1.00 0.00 C ATOM 141 CD PRO A 10 6.678 5.449 -9.392 1.00 0.00 C ATOM 0 HA PRO A 10 4.637 3.150 -10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.670 2.789 -9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.854 2.453 -10.915 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.278 4.726 -10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.707 4.805 -11.504 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.448 5.603 -8.636 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.375 6.435 -9.743 1.00 0.00 H new ATOM 149 N TRP A 11 5.716 2.058 -7.200 1.00 0.00 N ATOM 150 CA TRP A 11 5.013 1.405 -6.068 1.00 0.00 C ATOM 151 C TRP A 11 5.191 2.193 -4.709 1.00 0.00 C ATOM 152 O TRP A 11 6.247 2.091 -4.076 1.00 0.00 O ATOM 153 CB TRP A 11 5.456 -0.073 -5.881 1.00 0.00 C ATOM 154 CG TRP A 11 4.449 -0.955 -5.137 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.270 -1.500 -5.686 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.223 -0.858 -3.780 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.304 -1.754 -4.693 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.919 -1.346 -3.520 1.00 0.00 C ATOM 159 CE3 TRP A 11 5.031 -0.358 -2.726 1.00 0.00 C ATOM 160 CZ2 TRP A 11 2.416 -1.349 -2.200 1.00 0.00 C ATOM 161 CZ3 TRP A 11 4.515 -0.377 -1.430 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.228 -0.867 -1.169 1.00 0.00 C ATOM 0 H TRP A 11 6.645 2.423 -6.989 1.00 0.00 H new ATOM 0 HA TRP A 11 3.955 1.420 -6.331 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.644 -0.508 -6.862 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.402 -0.089 -5.339 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.126 -1.698 -6.738 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.370 -2.147 -4.810 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.021 0.028 -2.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.422 -1.717 -1.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.118 -0.008 -0.613 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.857 -0.872 -0.155 1.00 0.00 H new ATOM 173 N ASN A 12 4.110 2.868 -4.234 1.00 0.00 N ATOM 174 CA ASN A 12 4.036 3.410 -2.849 1.00 0.00 C ATOM 175 C ASN A 12 2.566 3.748 -2.458 1.00 0.00 C ATOM 176 O ASN A 12 2.003 4.778 -2.808 1.00 0.00 O ATOM 177 CB ASN A 12 5.076 4.578 -2.616 1.00 0.00 C ATOM 178 CG ASN A 12 5.330 4.965 -1.165 1.00 0.00 C ATOM 179 OD1 ASN A 12 4.988 4.285 -0.202 1.00 0.00 O ATOM 180 ND2 ASN A 12 6.170 5.947 -0.959 1.00 0.00 N ATOM 0 H ASN A 12 3.276 3.050 -4.792 1.00 0.00 H new ATOM 0 HA ASN A 12 4.346 2.633 -2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.026 4.288 -3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.727 5.461 -3.151 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.521 6.129 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.474 6.530 -1.739 1.00 0.00 H new ATOM 187 N HIS A 13 2.044 2.953 -1.519 1.00 0.00 N ATOM 188 CA HIS A 13 0.724 3.163 -0.906 1.00 0.00 C ATOM 189 C HIS A 13 0.809 3.392 0.664 1.00 0.00 C ATOM 190 O HIS A 13 0.920 2.393 1.386 1.00 0.00 O ATOM 191 CB HIS A 13 -0.219 1.955 -1.349 1.00 0.00 C ATOM 192 CG HIS A 13 -1.657 2.088 -0.938 1.00 0.00 C ATOM 193 ND1 HIS A 13 -2.550 1.037 -0.747 1.00 0.00 N ATOM 194 CD2 HIS A 13 -2.311 3.311 -0.978 1.00 0.00 C ATOM 195 CE1 HIS A 13 -3.705 1.727 -0.679 1.00 0.00 C ATOM 196 NE2 HIS A 13 -3.652 3.080 -0.810 1.00 0.00 N ATOM 0 H HIS A 13 2.531 2.133 -1.157 1.00 0.00 H new ATOM 0 HA HIS A 13 0.282 4.092 -1.267 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.174 1.858 -2.434 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.179 1.031 -0.930 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.379 0.034 -0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.846 4.276 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.646 1.220 -0.525 1.00 0.00 H new ATOM 205 N PRO A 14 0.596 4.595 1.275 1.00 0.00 N ATOM 206 CA PRO A 14 0.524 4.751 2.764 1.00 0.00 C ATOM 207 C PRO A 14 -0.575 3.987 3.608 1.00 0.00 C ATOM 208 O PRO A 14 -0.197 3.442 4.651 1.00 0.00 O ATOM 209 CB PRO A 14 0.559 6.344 2.900 1.00 0.00 C ATOM 210 CG PRO A 14 1.256 6.863 1.655 1.00 0.00 C ATOM 211 CD PRO A 14 0.847 5.882 0.577 1.00 0.00 C ATOM 0 HA PRO A 14 1.339 4.217 3.253 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.450 6.750 2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.095 6.646 3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.940 7.878 1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.338 6.888 1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.047 6.225 0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.632 5.774 -0.172 1.00 0.00 H new ATOM 219 N GLY A 15 -1.877 4.006 3.216 1.00 0.00 N ATOM 220 CA GLY A 15 -3.009 3.541 4.089 1.00 0.00 C ATOM 221 C GLY A 15 -4.273 3.164 3.318 1.00 0.00 C ATOM 222 O GLY A 15 -4.216 2.235 2.529 1.00 0.00 O ATOM 0 H GLY A 15 -2.178 4.338 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.678 2.679 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.252 4.329 4.802 1.00 0.00 H new ATOM 226 N SER A 16 -5.439 3.786 3.585 1.00 0.00 N ATOM 227 CA SER A 16 -6.619 3.807 2.660 1.00 0.00 C ATOM 228 C SER A 16 -7.734 4.784 3.141 1.00 0.00 C ATOM 229 O SER A 16 -7.680 5.990 2.866 1.00 0.00 O ATOM 230 CB SER A 16 -7.234 2.420 2.233 1.00 0.00 C ATOM 231 OG SER A 16 -7.604 1.679 3.384 1.00 0.00 O ATOM 0 H SER A 16 -5.602 4.296 4.453 1.00 0.00 H new ATOM 0 HA SER A 16 -6.171 4.182 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.105 2.579 1.597 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.509 1.857 1.645 1.00 0.00 H new ATOM 0 HG SER A 16 -6.927 1.800 4.082 1.00 0.00 H new ATOM 237 N GLN A 17 -8.780 4.285 3.849 1.00 0.00 N ATOM 238 CA GLN A 17 -10.109 4.979 3.878 1.00 0.00 C ATOM 239 C GLN A 17 -10.438 5.708 5.268 1.00 0.00 C ATOM 240 O GLN A 17 -9.999 5.226 6.318 1.00 0.00 O ATOM 241 CB GLN A 17 -11.185 3.869 3.655 1.00 0.00 C ATOM 242 CG GLN A 17 -11.284 3.300 2.218 1.00 0.00 C ATOM 243 CD GLN A 17 -11.862 4.236 1.127 1.00 0.00 C ATOM 244 OE1 GLN A 17 -12.654 5.103 1.462 1.00 0.00 O ATOM 245 NE2 GLN A 17 -11.658 4.055 -0.142 1.00 0.00 N ATOM 0 H GLN A 17 -8.740 3.426 4.397 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.101 5.757 3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.976 3.045 4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.159 4.273 3.933 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.286 2.993 1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.898 2.400 2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.003 3.339 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.153 4.629 -0.825 1.00 0.00 H new ATOM 254 N PRO A 18 -11.261 6.806 5.339 1.00 0.00 N ATOM 255 CA PRO A 18 -12.033 7.348 4.198 1.00 0.00 C ATOM 256 C PRO A 18 -11.248 8.287 3.216 1.00 0.00 C ATOM 257 O PRO A 18 -10.785 9.323 3.702 1.00 0.00 O ATOM 258 CB PRO A 18 -13.132 8.117 4.962 1.00 0.00 C ATOM 259 CG PRO A 18 -12.442 8.669 6.234 1.00 0.00 C ATOM 260 CD PRO A 18 -11.493 7.536 6.578 1.00 0.00 C ATOM 0 HA PRO A 18 -12.364 6.567 3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.540 8.925 4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.963 7.461 5.220 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.914 9.603 6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.155 8.865 7.035 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.557 7.922 6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.925 6.885 7.338 1.00 0.00 H new ATOM 268 N ARG A 19 -11.113 7.946 1.903 1.00 0.00 N ATOM 269 CA ARG A 19 -10.029 8.537 1.026 1.00 0.00 C ATOM 270 C ARG A 19 -8.960 9.592 1.576 1.00 0.00 C ATOM 271 O ARG A 19 -9.011 10.788 1.238 1.00 0.00 O ATOM 272 CB ARG A 19 -10.712 8.953 -0.312 1.00 0.00 C ATOM 273 CG ARG A 19 -11.237 7.935 -1.334 1.00 0.00 C ATOM 274 CD ARG A 19 -12.012 8.644 -2.479 1.00 0.00 C ATOM 275 NE ARG A 19 -11.824 7.906 -3.777 1.00 0.00 N ATOM 276 CZ ARG A 19 -12.583 8.048 -4.857 1.00 0.00 C ATOM 277 NH1 ARG A 19 -13.671 8.806 -4.918 1.00 0.00 N ATOM 278 NH2 ARG A 19 -12.196 7.452 -5.944 1.00 0.00 N ATOM 0 H ARG A 19 -11.721 7.281 1.425 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.300 7.732 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.558 9.587 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.997 9.583 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.403 7.369 -1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.891 7.219 -0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -13.073 8.694 -2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.661 9.671 -2.583 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.051 7.243 -3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.974 9.330 -4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.204 8.865 -5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.338 6.901 -5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.750 7.535 -6.796 1.00 0.00 H new ATOM 292 N THR A 20 -8.075 9.133 2.474 1.00 0.00 N ATOM 293 CA THR A 20 -7.326 10.013 3.447 1.00 0.00 C ATOM 294 C THR A 20 -6.004 10.674 2.930 1.00 0.00 C ATOM 295 O THR A 20 -5.795 11.895 3.154 1.00 0.00 O ATOM 296 CB THR A 20 -7.166 9.218 4.807 1.00 0.00 C ATOM 297 OG1 THR A 20 -8.389 8.564 5.145 1.00 0.00 O ATOM 298 CG2 THR A 20 -6.871 10.137 6.039 1.00 0.00 C ATOM 0 H THR A 20 -7.843 8.144 2.564 1.00 0.00 H new ATOM 0 HA THR A 20 -7.932 10.906 3.602 1.00 0.00 H new ATOM 0 HB THR A 20 -6.335 8.536 4.629 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.133 9.001 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.774 9.524 6.935 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.943 10.684 5.871 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.690 10.844 6.170 1.00 0.00 H new ATOM 306 N PRO A 21 -4.951 10.021 2.291 1.00 0.00 N ATOM 307 CA PRO A 21 -4.752 8.541 2.261 1.00 0.00 C ATOM 308 C PRO A 21 -4.133 7.810 3.497 1.00 0.00 C ATOM 309 O PRO A 21 -4.500 6.655 3.767 1.00 0.00 O ATOM 310 CB PRO A 21 -3.899 8.425 0.995 1.00 0.00 C ATOM 311 CG PRO A 21 -3.111 9.685 0.796 1.00 0.00 C ATOM 312 CD PRO A 21 -4.080 10.761 1.335 1.00 0.00 C ATOM 0 HA PRO A 21 -5.709 8.019 2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.225 7.573 1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.538 8.244 0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.171 9.670 1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.862 9.849 -0.252 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.542 11.570 1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.663 11.211 0.531 1.00 0.00 H new ATOM 320 N CYS A 22 -3.259 8.507 4.290 1.00 0.00 N ATOM 321 CA CYS A 22 -2.357 7.866 5.278 1.00 0.00 C ATOM 322 C CYS A 22 -3.035 7.093 6.450 1.00 0.00 C ATOM 323 O CYS A 22 -2.641 5.966 6.691 1.00 0.00 O ATOM 324 CB CYS A 22 -1.390 8.989 5.721 1.00 0.00 C ATOM 325 SG CYS A 22 -0.115 8.371 6.804 1.00 0.00 S ATOM 0 H CYS A 22 -3.168 9.522 4.255 1.00 0.00 H new ATOM 0 HA CYS A 22 -1.832 7.033 4.810 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.933 9.443 4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.951 9.773 6.229 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.661 7.817 7.846 1.00 0.00 H new ATOM 331 N ASN A 23 -4.023 7.628 7.212 1.00 0.00 N ATOM 332 CA ASN A 23 -4.491 6.961 8.476 1.00 0.00 C ATOM 333 C ASN A 23 -3.421 6.800 9.628 1.00 0.00 C ATOM 334 O ASN A 23 -2.246 7.056 9.433 1.00 0.00 O ATOM 335 CB ASN A 23 -5.252 5.622 8.158 1.00 0.00 C ATOM 336 CG ASN A 23 -6.663 5.716 7.564 1.00 0.00 C ATOM 337 OD1 ASN A 23 -7.629 5.520 8.246 1.00 0.00 O ATOM 338 ND2 ASN A 23 -6.781 5.947 6.269 1.00 0.00 N ATOM 0 H ASN A 23 -4.507 8.498 6.989 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.193 7.671 8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.637 5.045 7.467 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.317 5.048 9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.704 5.960 5.835 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.949 6.112 5.702 1.00 0.00 H new ATOM 345 N LYS A 24 -3.846 6.462 10.833 1.00 0.00 N ATOM 346 CA LYS A 24 -2.922 5.945 11.909 1.00 0.00 C ATOM 347 C LYS A 24 -2.686 4.363 11.991 1.00 0.00 C ATOM 348 O LYS A 24 -2.516 3.774 13.043 1.00 0.00 O ATOM 349 CB LYS A 24 -3.368 6.680 13.216 1.00 0.00 C ATOM 350 CG LYS A 24 -2.331 6.750 14.362 1.00 0.00 C ATOM 351 CD LYS A 24 -2.879 7.459 15.629 1.00 0.00 C ATOM 352 CE LYS A 24 -1.858 7.434 16.801 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.334 8.267 17.952 1.00 0.00 N ATOM 0 H LYS A 24 -4.822 6.525 11.122 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.887 6.187 11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.654 7.698 12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.262 6.186 13.596 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.018 5.739 14.624 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.444 7.278 14.011 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.127 8.492 15.387 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.803 6.975 15.944 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.704 6.407 17.131 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.893 7.805 16.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.633 8.232 18.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.457 9.252 17.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.243 7.897 18.296 1.00 0.00 H new ATOM 367 N CYS A 25 -2.676 3.722 10.844 1.00 0.00 N ATOM 368 CA CYS A 25 -2.541 2.261 10.672 1.00 0.00 C ATOM 369 C CYS A 25 -2.308 1.937 9.128 1.00 0.00 C ATOM 370 O CYS A 25 -3.098 2.374 8.253 1.00 0.00 O ATOM 371 CB CYS A 25 -3.766 1.472 11.208 1.00 0.00 C ATOM 372 SG CYS A 25 -3.518 -0.337 11.206 1.00 0.00 S ATOM 0 H CYS A 25 -2.765 4.212 9.954 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.684 1.937 11.263 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.985 1.801 12.224 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.638 1.713 10.601 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.353 -0.751 9.985 1.00 0.00 H new ATOM 378 N TYR A 26 -1.338 1.095 8.832 1.00 0.00 N ATOM 379 CA TYR A 26 -1.207 0.454 7.496 1.00 0.00 C ATOM 380 C TYR A 26 -2.458 -0.315 6.957 1.00 0.00 C ATOM 381 O TYR A 26 -3.088 -1.136 7.640 1.00 0.00 O ATOM 382 CB TYR A 26 0.011 -0.514 7.447 1.00 0.00 C ATOM 383 CG TYR A 26 1.391 0.125 7.256 1.00 0.00 C ATOM 384 CD1 TYR A 26 1.782 0.619 6.008 1.00 0.00 C ATOM 385 CD2 TYR A 26 2.309 0.111 8.311 1.00 0.00 C ATOM 386 CE1 TYR A 26 3.076 1.100 5.821 1.00 0.00 C ATOM 387 CE2 TYR A 26 3.602 0.591 8.121 1.00 0.00 C ATOM 388 CZ TYR A 26 3.983 1.085 6.876 1.00 0.00 C ATOM 389 OH TYR A 26 5.251 1.560 6.689 1.00 0.00 O ATOM 0 H TYR A 26 -0.611 0.823 9.493 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.074 1.313 6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.027 -1.088 8.374 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.151 -1.224 6.635 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.080 0.628 5.188 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.014 -0.273 9.276 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.375 1.485 4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.308 0.580 8.938 1.00 0.00 H new ATOM 0 HH TYR A 26 5.247 2.230 5.974 1.00 0.00 H new ATOM 399 N CYS A 27 -2.856 0.026 5.717 1.00 0.00 N ATOM 400 CA CYS A 27 -4.100 -0.418 5.035 1.00 0.00 C ATOM 401 C CYS A 27 -5.442 0.041 5.692 1.00 0.00 C ATOM 402 O CYS A 27 -5.928 1.132 5.393 1.00 0.00 O ATOM 403 CB CYS A 27 -3.946 -1.882 4.531 1.00 0.00 C ATOM 404 SG CYS A 27 -5.483 -2.535 3.845 1.00 0.00 S ATOM 0 H CYS A 27 -2.298 0.647 5.131 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.228 0.158 4.118 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.166 -1.922 3.771 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.621 -2.516 5.356 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.527 -3.822 4.026 1.00 0.00 H new ATOM 410 N LYS A 28 -6.009 -0.781 6.630 1.00 0.00 N ATOM 411 CA LYS A 28 -7.157 -0.429 7.515 1.00 0.00 C ATOM 412 C LYS A 28 -8.512 -0.211 6.779 1.00 0.00 C ATOM 413 O LYS A 28 -8.783 0.858 6.253 1.00 0.00 O ATOM 414 CB LYS A 28 -6.706 0.704 8.493 1.00 0.00 C ATOM 415 CG LYS A 28 -7.376 0.797 9.865 1.00 0.00 C ATOM 416 CD LYS A 28 -8.845 1.279 9.873 1.00 0.00 C ATOM 417 CE LYS A 28 -9.044 2.780 9.522 1.00 0.00 C ATOM 418 NZ LYS A 28 -9.382 2.909 8.073 1.00 0.00 N ATOM 0 H LYS A 28 -5.668 -1.729 6.792 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.416 -1.296 8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.634 0.594 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.855 1.657 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.335 -0.186 10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.790 1.472 10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.413 0.677 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.268 1.093 10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.841 3.205 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.137 3.341 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.077 3.841 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.895 2.164 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.410 2.812 7.946 1.00 0.00 H new ATOM 432 N LYS A 29 -9.440 -1.189 6.809 1.00 0.00 N ATOM 433 CA LYS A 29 -10.839 -1.046 6.253 1.00 0.00 C ATOM 434 C LYS A 29 -11.709 0.100 6.921 1.00 0.00 C ATOM 435 O LYS A 29 -11.518 0.461 8.089 1.00 0.00 O ATOM 436 CB LYS A 29 -11.471 -2.458 6.433 1.00 0.00 C ATOM 437 CG LYS A 29 -12.890 -2.658 5.852 1.00 0.00 C ATOM 438 CD LYS A 29 -14.071 -2.445 6.865 1.00 0.00 C ATOM 439 CE LYS A 29 -15.451 -2.638 6.215 1.00 0.00 C ATOM 440 NZ LYS A 29 -16.547 -2.204 7.123 1.00 0.00 N ATOM 0 H LYS A 29 -9.260 -2.107 7.215 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.805 -0.725 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.808 -3.190 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.504 -2.684 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.022 -1.970 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.959 -3.668 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.963 -3.144 7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.008 -1.441 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.500 -2.069 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.588 -3.687 5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.462 -2.501 6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.415 -2.639 8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.530 -1.168 7.217 1.00 0.00 H new ATOM 454 N CYS A 30 -12.658 0.704 6.168 1.00 0.00 N ATOM 455 CA CYS A 30 -13.761 1.483 6.785 1.00 0.00 C ATOM 456 C CYS A 30 -15.195 1.108 6.245 1.00 0.00 C ATOM 457 O CYS A 30 -16.019 0.600 7.018 1.00 0.00 O ATOM 458 CB CYS A 30 -13.411 2.987 6.851 1.00 0.00 C ATOM 459 SG CYS A 30 -14.640 3.845 7.855 1.00 0.00 S ATOM 0 H CYS A 30 -12.685 0.669 5.149 1.00 0.00 H new ATOM 0 HA CYS A 30 -13.849 1.176 7.827 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.418 3.122 7.279 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.386 3.410 5.847 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.346 5.110 7.913 1.00 0.00 H new ATOM 465 N CYS A 31 -15.637 1.235 4.984 1.00 0.00 N ATOM 466 CA CYS A 31 -14.808 1.752 3.817 1.00 0.00 C ATOM 467 C CYS A 31 -14.269 0.650 2.815 1.00 0.00 C ATOM 468 O CYS A 31 -13.950 -0.484 3.228 1.00 0.00 O ATOM 469 CB CYS A 31 -15.680 2.886 3.188 1.00 0.00 C ATOM 470 SG CYS A 31 -17.095 2.125 2.298 1.00 0.00 S ATOM 0 H CYS A 31 -16.588 0.986 4.714 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.848 2.142 4.155 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.042 3.559 3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.081 3.485 2.502 1.00 0.00 H new ATOM 0 HG CYS A 31 -17.830 3.059 1.772 1.00 0.00 H new ATOM 476 N TYR A 32 -14.066 1.069 1.518 1.00 0.00 N ATOM 477 CA TYR A 32 -13.486 0.238 0.428 1.00 0.00 C ATOM 478 C TYR A 32 -11.945 -0.069 0.667 1.00 0.00 C ATOM 479 O TYR A 32 -11.058 0.794 0.497 1.00 0.00 O ATOM 480 CB TYR A 32 -13.634 0.896 -0.975 1.00 0.00 C ATOM 481 CG TYR A 32 -13.025 0.136 -2.159 1.00 0.00 C ATOM 482 CD1 TYR A 32 -13.655 -1.025 -2.619 1.00 0.00 C ATOM 483 CD2 TYR A 32 -11.765 0.480 -2.656 1.00 0.00 C ATOM 484 CE1 TYR A 32 -13.027 -1.836 -3.560 1.00 0.00 C ATOM 485 CE2 TYR A 32 -11.139 -0.333 -3.598 1.00 0.00 C ATOM 486 CZ TYR A 32 -11.770 -1.489 -4.049 1.00 0.00 C ATOM 487 OH TYR A 32 -11.152 -2.286 -4.971 1.00 0.00 O ATOM 0 H TYR A 32 -14.309 2.010 1.209 1.00 0.00 H new ATOM 0 HA TYR A 32 -14.057 -0.690 0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -14.696 1.040 -1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -13.180 1.886 -0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -14.631 -1.293 -2.243 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.276 1.378 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.514 -2.734 -3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.164 -0.067 -3.979 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.478 -2.063 -5.868 1.00 0.00 H new ATOM 497 N HIS A 33 -11.621 -1.360 0.747 1.00 0.00 N ATOM 498 CA HIS A 33 -10.474 -2.023 0.078 1.00 0.00 C ATOM 499 C HIS A 33 -10.861 -3.503 -0.087 1.00 0.00 C ATOM 500 O HIS A 33 -10.842 -4.255 0.888 1.00 0.00 O ATOM 501 CB HIS A 33 -9.131 -1.899 0.817 1.00 0.00 C ATOM 502 CG HIS A 33 -8.005 -2.547 0.066 1.00 0.00 C ATOM 503 ND1 HIS A 33 -7.742 -3.914 0.011 1.00 0.00 N ATOM 504 CD2 HIS A 33 -7.511 -1.889 -1.052 1.00 0.00 C ATOM 505 CE1 HIS A 33 -7.098 -3.976 -1.170 1.00 0.00 C ATOM 506 NE2 HIS A 33 -6.915 -2.820 -1.863 1.00 0.00 N ATOM 0 H HIS A 33 -12.171 -2.014 1.304 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.300 -1.521 -0.874 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.901 -0.845 0.974 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.218 -2.356 1.803 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.971 -4.654 0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.583 -0.830 -1.249 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.737 -4.918 -1.556 1.00 0.00 H new ATOM 515 N CYS A 34 -11.248 -3.963 -1.250 1.00 0.00 N ATOM 516 CA CYS A 34 -11.471 -5.418 -1.541 1.00 0.00 C ATOM 517 C CYS A 34 -10.219 -6.346 -1.281 1.00 0.00 C ATOM 518 O CYS A 34 -9.158 -6.151 -1.920 1.00 0.00 O ATOM 519 CB CYS A 34 -11.961 -5.575 -3.003 1.00 0.00 C ATOM 520 SG CYS A 34 -12.077 -7.342 -3.420 1.00 0.00 S ATOM 0 H CYS A 34 -11.428 -3.358 -2.051 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.227 -5.758 -0.833 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.933 -5.097 -3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.273 -5.075 -3.684 1.00 0.00 H new ATOM 0 HG CYS A 34 -12.490 -7.472 -4.646 1.00 0.00 H new ATOM 526 N GLN A 35 -10.440 -7.367 -0.406 1.00 0.00 N ATOM 527 CA GLN A 35 -9.474 -8.479 -0.157 1.00 0.00 C ATOM 528 C GLN A 35 -7.990 -8.107 0.204 1.00 0.00 C ATOM 529 O GLN A 35 -7.635 -8.020 1.382 1.00 0.00 O ATOM 530 CB GLN A 35 -9.680 -9.521 -1.259 1.00 0.00 C ATOM 531 CG GLN A 35 -9.128 -10.919 -0.927 1.00 0.00 C ATOM 532 CD GLN A 35 -9.907 -11.858 -0.029 1.00 0.00 C ATOM 533 OE1 GLN A 35 -9.991 -11.634 1.175 1.00 0.00 O ATOM 534 NE2 GLN A 35 -10.528 -12.889 -0.505 1.00 0.00 N ATOM 0 H GLN A 35 -11.293 -7.443 0.148 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.714 -8.921 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.747 -9.605 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.204 -9.164 -2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.970 -11.436 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.147 -10.778 -0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.476 -13.100 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.069 -13.490 0.116 1.00 0.00 H new ATOM 543 N MET A 36 -7.081 -8.013 -0.763 1.00 0.00 N ATOM 544 CA MET A 36 -5.589 -8.067 -0.622 1.00 0.00 C ATOM 545 C MET A 36 -4.988 -6.902 0.314 1.00 0.00 C ATOM 546 O MET A 36 -4.790 -5.782 -0.140 1.00 0.00 O ATOM 547 CB MET A 36 -5.141 -9.527 -0.360 1.00 0.00 C ATOM 548 CG MET A 36 -5.251 -10.499 -1.530 1.00 0.00 C ATOM 549 SD MET A 36 -4.591 -12.044 -0.891 1.00 0.00 S ATOM 550 CE MET A 36 -4.885 -13.005 -2.351 1.00 0.00 C ATOM 0 H MET A 36 -7.362 -7.889 -1.736 1.00 0.00 H new ATOM 0 HA MET A 36 -5.111 -7.804 -1.565 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.103 -9.510 -0.029 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.733 -9.921 0.466 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.285 -10.613 -1.856 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.682 -10.150 -2.392 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.546 -14.028 -2.187 1.00 0.00 H new ATOM 0 HE2 MET A 36 -5.951 -13.007 -2.576 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.338 -12.571 -3.188 1.00 0.00 H new ATOM 560 N CYS A 37 -4.696 -7.196 1.603 1.00 0.00 N ATOM 561 CA CYS A 37 -4.133 -6.222 2.608 1.00 0.00 C ATOM 562 C CYS A 37 -2.711 -5.627 2.287 1.00 0.00 C ATOM 563 O CYS A 37 -2.696 -4.481 1.848 1.00 0.00 O ATOM 564 CB CYS A 37 -4.336 -6.916 3.999 1.00 0.00 C ATOM 565 SG CYS A 37 -3.716 -5.919 5.371 1.00 0.00 S ATOM 0 H CYS A 37 -4.842 -8.127 1.994 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.668 -5.273 2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.397 -7.115 4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.828 -7.880 3.997 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.917 -6.549 6.490 1.00 0.00 H new ATOM 571 N PHE A 38 -1.598 -6.346 2.446 1.00 0.00 N ATOM 572 CA PHE A 38 -0.265 -5.957 1.892 1.00 0.00 C ATOM 573 C PHE A 38 0.634 -7.231 1.772 1.00 0.00 C ATOM 574 O PHE A 38 1.115 -7.793 2.778 1.00 0.00 O ATOM 575 CB PHE A 38 0.476 -4.765 2.611 1.00 0.00 C ATOM 576 CG PHE A 38 0.104 -3.305 2.298 1.00 0.00 C ATOM 577 CD1 PHE A 38 -0.083 -2.858 0.961 1.00 0.00 C ATOM 578 CD2 PHE A 38 -0.118 -2.378 3.350 1.00 0.00 C ATOM 579 CE1 PHE A 38 -0.484 -1.571 0.733 1.00 0.00 C ATOM 580 CE2 PHE A 38 -0.472 -1.054 3.077 1.00 0.00 C ATOM 581 CZ PHE A 38 -0.673 -0.686 1.749 1.00 0.00 C ATOM 0 H PHE A 38 -1.578 -7.224 2.964 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.466 -5.538 0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.345 -4.906 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.540 -4.877 2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.090 -3.529 0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.012 -2.700 4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.656 -1.247 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.587 -0.335 3.875 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.985 0.322 1.521 1.00 0.00 H new ATOM 591 N ILE A 39 0.920 -7.623 0.515 1.00 0.00 N ATOM 592 CA ILE A 39 1.920 -8.717 0.230 1.00 0.00 C ATOM 593 C ILE A 39 3.215 -8.099 -0.378 1.00 0.00 C ATOM 594 O ILE A 39 3.212 -7.425 -1.405 1.00 0.00 O ATOM 595 CB ILE A 39 1.332 -9.936 -0.616 1.00 0.00 C ATOM 596 CG1 ILE A 39 0.349 -9.627 -1.770 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.739 -11.045 0.293 1.00 0.00 C ATOM 598 CD1 ILE A 39 0.946 -8.826 -2.940 1.00 0.00 C ATOM 0 H ILE A 39 0.491 -7.218 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 39 2.180 -9.182 1.181 1.00 0.00 H new ATOM 0 HB ILE A 39 2.231 -10.280 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.041 -10.569 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.498 -9.073 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.351 -11.854 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.518 -11.432 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.069 -10.629 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.179 -8.661 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.309 -7.865 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.774 -9.384 -3.378 1.00 0.00 H new ATOM 610 N THR A 40 4.337 -8.233 0.356 1.00 0.00 N ATOM 611 CA THR A 40 5.583 -7.426 0.086 1.00 0.00 C ATOM 612 C THR A 40 6.436 -7.923 -1.158 1.00 0.00 C ATOM 613 O THR A 40 7.442 -8.609 -0.935 1.00 0.00 O ATOM 614 CB THR A 40 6.468 -7.336 1.393 1.00 0.00 C ATOM 615 OG1 THR A 40 6.873 -8.619 1.812 1.00 0.00 O ATOM 616 CG2 THR A 40 5.816 -6.681 2.638 1.00 0.00 C ATOM 0 H THR A 40 4.424 -8.882 1.138 1.00 0.00 H new ATOM 0 HA THR A 40 5.241 -6.430 -0.194 1.00 0.00 H new ATOM 0 HB THR A 40 7.286 -6.692 1.070 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.208 -9.124 1.042 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.527 -6.682 3.464 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.534 -5.655 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.928 -7.245 2.923 1.00 0.00 H new ATOM 624 N LYS A 41 6.013 -7.531 -2.357 1.00 0.00 N ATOM 625 CA LYS A 41 6.794 -7.722 -3.611 1.00 0.00 C ATOM 626 C LYS A 41 7.569 -6.418 -4.057 1.00 0.00 C ATOM 627 O LYS A 41 6.995 -5.436 -4.513 1.00 0.00 O ATOM 628 CB LYS A 41 5.873 -8.337 -4.747 1.00 0.00 C ATOM 629 CG LYS A 41 4.345 -8.134 -4.816 1.00 0.00 C ATOM 630 CD LYS A 41 3.938 -6.741 -5.347 1.00 0.00 C ATOM 631 CE LYS A 41 2.550 -6.358 -4.835 1.00 0.00 C ATOM 632 NZ LYS A 41 2.061 -5.058 -5.389 1.00 0.00 N ATOM 0 H LYS A 41 5.116 -7.068 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 41 7.583 -8.447 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.272 -7.974 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.037 -9.414 -4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.912 -8.901 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.921 -8.274 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.668 -5.996 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.942 -6.745 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.843 -7.146 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.574 -6.297 -3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.172 -4.792 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.775 -4.320 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.896 -5.156 -6.411 1.00 0.00 H new ATOM 646 N GLY A 42 8.898 -6.405 -3.807 1.00 0.00 N ATOM 647 CA GLY A 42 9.781 -5.251 -4.108 1.00 0.00 C ATOM 648 C GLY A 42 10.169 -4.392 -2.876 1.00 0.00 C ATOM 649 O GLY A 42 9.460 -3.431 -2.548 1.00 0.00 O ATOM 0 H GLY A 42 9.391 -7.195 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.693 -5.621 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.284 -4.612 -4.838 1.00 0.00 H new ATOM 653 N LEU A 43 11.299 -4.729 -2.193 1.00 0.00 N ATOM 654 CA LEU A 43 11.721 -4.057 -0.948 1.00 0.00 C ATOM 655 C LEU A 43 12.489 -2.675 -1.266 1.00 0.00 C ATOM 656 O LEU A 43 13.657 -2.457 -0.918 1.00 0.00 O ATOM 657 CB LEU A 43 12.475 -5.052 0.010 1.00 0.00 C ATOM 658 CG LEU A 43 11.822 -6.377 0.491 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.746 -7.175 1.435 1.00 0.00 C ATOM 660 CD2 LEU A 43 10.425 -6.259 1.171 1.00 0.00 C ATOM 0 H LEU A 43 11.933 -5.469 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 43 10.841 -3.754 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.408 -5.322 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.741 -4.488 0.904 1.00 0.00 H new ATOM 0 HG LEU A 43 11.666 -6.902 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.245 -8.093 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.671 -7.424 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.975 -6.573 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.077 -7.250 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.503 -5.628 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.716 -5.816 0.472 1.00 0.00 H new ATOM 672 N GLY A 44 11.750 -1.711 -1.862 1.00 0.00 N ATOM 673 CA GLY A 44 12.257 -0.305 -1.973 1.00 0.00 C ATOM 674 C GLY A 44 12.413 0.401 -0.607 1.00 0.00 C ATOM 675 O GLY A 44 13.475 0.300 -0.025 1.00 0.00 O ATOM 0 H GLY A 44 10.826 -1.864 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.221 -0.313 -2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.573 0.272 -2.596 1.00 0.00 H new ATOM 679 N ILE A 45 11.380 1.063 -0.048 1.00 0.00 N ATOM 680 CA ILE A 45 11.323 1.554 1.384 1.00 0.00 C ATOM 681 C ILE A 45 9.937 1.184 2.096 1.00 0.00 C ATOM 682 O ILE A 45 9.991 0.480 3.118 1.00 0.00 O ATOM 683 CB ILE A 45 11.793 3.036 1.598 1.00 0.00 C ATOM 684 CG1 ILE A 45 13.303 3.201 1.322 1.00 0.00 C ATOM 685 CG2 ILE A 45 11.480 3.583 3.005 1.00 0.00 C ATOM 686 CD1 ILE A 45 13.828 4.645 1.092 1.00 0.00 C ATOM 0 H ILE A 45 10.534 1.286 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 45 12.090 0.989 1.913 1.00 0.00 H new ATOM 0 HB ILE A 45 11.219 3.618 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.849 2.773 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.553 2.606 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.832 4.612 3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.404 3.554 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.982 2.970 3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.902 4.617 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.325 5.082 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.626 5.251 1.975 1.00 0.00 H new ATOM 698 N SER A 46 8.754 1.562 1.550 1.00 0.00 N ATOM 699 CA SER A 46 7.435 1.180 2.133 1.00 0.00 C ATOM 700 C SER A 46 7.106 -0.340 2.315 1.00 0.00 C ATOM 701 O SER A 46 6.845 -0.712 3.450 1.00 0.00 O ATOM 702 CB SER A 46 6.259 1.999 1.537 1.00 0.00 C ATOM 703 OG SER A 46 6.167 1.886 0.151 1.00 0.00 O ATOM 0 H SER A 46 8.683 2.131 0.707 1.00 0.00 H new ATOM 0 HA SER A 46 7.567 1.476 3.174 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.325 1.663 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.382 3.049 1.804 1.00 0.00 H new ATOM 0 HG SER A 46 5.660 2.645 -0.206 1.00 0.00 H new ATOM 709 N TYR A 47 7.307 -1.209 1.318 1.00 0.00 N ATOM 710 CA TYR A 47 7.523 -2.654 1.564 1.00 0.00 C ATOM 711 C TYR A 47 8.945 -2.937 2.242 1.00 0.00 C ATOM 712 O TYR A 47 10.024 -2.667 1.726 1.00 0.00 O ATOM 713 CB TYR A 47 7.478 -3.414 0.206 1.00 0.00 C ATOM 714 CG TYR A 47 6.093 -3.647 -0.407 1.00 0.00 C ATOM 715 CD1 TYR A 47 4.946 -3.626 0.392 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.993 -4.036 -1.747 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.712 -3.983 -0.147 1.00 0.00 C ATOM 718 CE2 TYR A 47 4.759 -4.393 -2.282 1.00 0.00 C ATOM 719 CZ TYR A 47 3.620 -4.367 -1.482 1.00 0.00 C ATOM 720 OH TYR A 47 2.407 -4.714 -2.007 1.00 0.00 O ATOM 0 H TYR A 47 7.326 -0.945 0.333 1.00 0.00 H new ATOM 0 HA TYR A 47 6.739 -2.995 2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.080 -2.860 -0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.957 -4.384 0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.017 -3.332 1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.876 -4.059 -2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.827 -3.962 0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.685 -4.690 -3.318 1.00 0.00 H new ATOM 0 HH TYR A 47 2.233 -5.662 -1.829 1.00 0.00 H new ATOM 730 N GLY A 48 8.948 -3.503 3.489 1.00 0.00 N ATOM 731 CA GLY A 48 10.216 -3.735 4.317 1.00 0.00 C ATOM 732 C GLY A 48 10.244 -4.624 5.609 1.00 0.00 C ATOM 733 O GLY A 48 9.543 -4.330 6.597 1.00 0.00 O ATOM 0 H GLY A 48 8.097 -3.813 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.957 -4.155 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.577 -2.750 4.612 1.00 0.00 H new ATOM 737 N ARG A 49 11.112 -5.680 5.569 1.00 0.00 N ATOM 738 CA ARG A 49 11.424 -6.486 6.813 1.00 0.00 C ATOM 739 C ARG A 49 12.188 -5.593 7.889 1.00 0.00 C ATOM 740 O ARG A 49 11.581 -5.193 8.886 1.00 0.00 O ATOM 741 CB ARG A 49 12.169 -7.782 6.369 1.00 0.00 C ATOM 742 CG ARG A 49 12.309 -8.979 7.373 1.00 0.00 C ATOM 743 CD ARG A 49 12.937 -10.261 6.742 1.00 0.00 C ATOM 744 NE ARG A 49 13.181 -11.341 7.750 1.00 0.00 N ATOM 745 CZ ARG A 49 13.615 -12.561 7.500 1.00 0.00 C ATOM 746 NH1 ARG A 49 13.937 -13.024 6.317 1.00 0.00 N ATOM 747 NH2 ARG A 49 13.753 -13.381 8.495 1.00 0.00 N ATOM 0 H ARG A 49 11.597 -5.992 4.728 1.00 0.00 H new ATOM 0 HA ARG A 49 10.519 -6.801 7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.664 -8.160 5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.175 -7.492 6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.922 -8.663 8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.324 -9.226 7.769 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.275 -10.639 5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.879 -10.000 6.260 1.00 0.00 H new ATOM 0 HE ARG A 49 12.993 -11.111 8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.860 -12.424 5.496 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.265 -13.985 6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.528 -13.076 9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.087 -14.331 8.331 1.00 0.00 H new ATOM 761 N LYS A 50 13.490 -5.216 7.663 1.00 0.00 N ATOM 762 CA LYS A 50 14.129 -4.047 8.383 1.00 0.00 C ATOM 763 C LYS A 50 14.191 -2.754 7.440 1.00 0.00 C ATOM 764 O LYS A 50 15.261 -2.194 7.163 1.00 0.00 O ATOM 765 CB LYS A 50 15.563 -4.512 8.836 1.00 0.00 C ATOM 766 CG LYS A 50 16.359 -3.525 9.746 1.00 0.00 C ATOM 767 CD LYS A 50 17.647 -4.104 10.368 1.00 0.00 C ATOM 768 CE LYS A 50 18.520 -3.086 11.093 1.00 0.00 C ATOM 769 NZ LYS A 50 19.848 -3.688 11.509 1.00 0.00 N ATOM 0 H LYS A 50 14.109 -5.689 7.005 1.00 0.00 H new ATOM 0 HA LYS A 50 13.539 -3.756 9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.463 -5.459 9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.157 -4.707 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.621 -2.645 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.705 -3.189 10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.373 -4.892 11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.237 -4.571 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.696 -2.228 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.995 -2.717 11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.417 -2.969 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.680 -4.491 12.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.359 -4.018 10.665 1.00 0.00 H new ATOM 783 N LYS A 51 13.041 -2.291 6.906 1.00 0.00 N ATOM 784 CA LYS A 51 12.918 -0.924 6.245 1.00 0.00 C ATOM 785 C LYS A 51 11.485 -0.392 6.722 1.00 0.00 C ATOM 786 O LYS A 51 11.268 -0.307 7.944 1.00 0.00 O ATOM 787 CB LYS A 51 13.118 -1.108 4.674 1.00 0.00 C ATOM 788 CG LYS A 51 14.603 -1.174 4.216 1.00 0.00 C ATOM 789 CD LYS A 51 14.721 -1.037 2.661 1.00 0.00 C ATOM 790 CE LYS A 51 16.181 -1.043 2.126 1.00 0.00 C ATOM 791 NZ LYS A 51 16.014 -0.904 0.648 1.00 0.00 N ATOM 0 H LYS A 51 12.172 -2.824 6.907 1.00 0.00 H new ATOM 0 HA LYS A 51 13.668 -0.183 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.614 -2.022 4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.629 -0.281 4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.171 -0.378 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.043 -2.119 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.172 -1.854 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.237 -0.110 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.764 -0.222 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.699 -1.966 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.765 -0.291 0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.075 -1.842 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.086 -0.482 0.442 1.00 0.00 H new ATOM 805 N ARG A 52 10.545 -0.158 5.826 1.00 0.00 N ATOM 806 CA ARG A 52 9.086 0.084 6.161 1.00 0.00 C ATOM 807 C ARG A 52 8.761 1.476 6.808 1.00 0.00 C ATOM 808 O ARG A 52 8.683 1.561 8.034 1.00 0.00 O ATOM 809 CB ARG A 52 8.484 -1.136 6.906 1.00 0.00 C ATOM 810 CG ARG A 52 6.957 -1.196 7.086 1.00 0.00 C ATOM 811 CD ARG A 52 6.388 -2.369 7.884 1.00 0.00 C ATOM 812 NE ARG A 52 6.779 -2.271 9.349 1.00 0.00 N ATOM 813 CZ ARG A 52 7.835 -2.815 9.921 1.00 0.00 C ATOM 814 NH1 ARG A 52 8.682 -3.629 9.309 1.00 0.00 N ATOM 815 NH2 ARG A 52 8.061 -2.533 11.162 1.00 0.00 N ATOM 0 H ARG A 52 10.737 -0.123 4.825 1.00 0.00 H new ATOM 0 HA ARG A 52 8.565 0.168 5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.792 -2.036 6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.938 -1.179 7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.639 -0.273 7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.501 -1.210 6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.302 -2.382 7.794 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.754 -3.308 7.468 1.00 0.00 H new ATOM 0 HE ARG A 52 6.161 -1.728 9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.537 -3.873 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.479 -4.012 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.432 -1.908 11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.869 -2.935 11.638 1.00 0.00 H new ATOM 829 N ARG A 53 8.650 2.574 6.015 1.00 0.00 N ATOM 830 CA ARG A 53 8.080 3.882 6.502 1.00 0.00 C ATOM 831 C ARG A 53 6.734 4.265 5.782 1.00 0.00 C ATOM 832 O ARG A 53 6.208 3.503 4.976 1.00 0.00 O ATOM 833 CB ARG A 53 9.225 4.971 6.449 1.00 0.00 C ATOM 834 CG ARG A 53 9.074 6.153 7.457 1.00 0.00 C ATOM 835 CD ARG A 53 10.315 7.001 7.709 1.00 0.00 C ATOM 836 NE ARG A 53 10.610 8.001 6.657 1.00 0.00 N ATOM 837 CZ ARG A 53 11.611 8.895 6.705 1.00 0.00 C ATOM 838 NH1 ARG A 53 12.403 9.040 7.723 1.00 0.00 N ATOM 839 NH2 ARG A 53 11.837 9.669 5.694 1.00 0.00 N ATOM 0 H ARG A 53 8.943 2.591 5.038 1.00 0.00 H new ATOM 0 HA ARG A 53 7.764 3.800 7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.180 4.479 6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.267 5.380 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.282 6.809 7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.741 5.746 8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.196 7.520 8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.175 6.339 7.812 1.00 0.00 H new ATOM 0 HE ARG A 53 10.007 8.011 5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.283 8.455 8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.145 9.739 7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.255 9.601 4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.597 10.348 5.731 1.00 0.00 H new ATOM 853 N GLN A 54 6.111 5.413 6.150 1.00 0.00 N ATOM 854 CA GLN A 54 4.714 5.807 5.715 1.00 0.00 C ATOM 855 C GLN A 54 4.637 7.366 5.552 1.00 0.00 C ATOM 856 O GLN A 54 4.715 8.071 6.562 1.00 0.00 O ATOM 857 CB GLN A 54 3.714 5.261 6.758 1.00 0.00 C ATOM 858 CG GLN A 54 2.184 5.428 6.446 1.00 0.00 C ATOM 859 CD GLN A 54 1.216 4.985 7.622 1.00 0.00 C ATOM 860 OE1 GLN A 54 1.167 5.552 8.712 1.00 0.00 O ATOM 861 NE2 GLN A 54 0.541 3.881 7.503 1.00 0.00 N ATOM 0 H GLN A 54 6.550 6.104 6.758 1.00 0.00 H new ATOM 0 HA GLN A 54 4.459 5.378 4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.916 4.199 6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.919 5.750 7.710 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.988 6.473 6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.943 4.846 5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.548 3.372 6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.004 3.524 8.293 1.00 0.00 H new ATOM 870 N ARG A 55 4.508 7.910 4.319 1.00 0.00 N ATOM 871 CA ARG A 55 4.610 9.386 4.050 1.00 0.00 C ATOM 872 C ARG A 55 3.425 9.992 3.226 1.00 0.00 C ATOM 873 O ARG A 55 3.238 9.676 2.058 1.00 0.00 O ATOM 874 CB ARG A 55 5.947 9.698 3.341 1.00 0.00 C ATOM 875 CG ARG A 55 6.267 11.212 3.170 1.00 0.00 C ATOM 876 CD ARG A 55 7.649 11.435 2.521 1.00 0.00 C ATOM 877 NE ARG A 55 7.861 12.862 2.239 1.00 0.00 N ATOM 878 CZ ARG A 55 8.818 13.367 1.526 1.00 0.00 C ATOM 879 NH1 ARG A 55 9.760 12.682 0.931 1.00 0.00 N ATOM 880 NH2 ARG A 55 8.831 14.655 1.373 1.00 0.00 N ATOM 0 H ARG A 55 4.332 7.354 3.482 1.00 0.00 H new ATOM 0 HA ARG A 55 4.561 9.863 5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.756 9.233 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.935 9.232 2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.497 11.679 2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.239 11.702 4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.432 11.069 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.720 10.861 1.597 1.00 0.00 H new ATOM 0 HE ARG A 55 7.191 13.517 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.779 11.665 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.476 13.165 0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.106 15.227 1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.566 15.095 0.820 1.00 0.00 H new ATOM 894 N ARG A 56 2.619 10.906 3.787 1.00 0.00 N ATOM 895 CA ARG A 56 1.451 11.567 3.083 1.00 0.00 C ATOM 896 C ARG A 56 1.861 12.788 2.136 1.00 0.00 C ATOM 897 O ARG A 56 2.583 13.661 2.615 1.00 0.00 O ATOM 898 CB ARG A 56 0.385 12.071 4.121 1.00 0.00 C ATOM 899 CG ARG A 56 -1.048 12.351 3.576 1.00 0.00 C ATOM 900 CD ARG A 56 -2.014 13.161 4.459 1.00 0.00 C ATOM 901 NE ARG A 56 -3.345 13.467 3.792 1.00 0.00 N ATOM 902 CZ ARG A 56 -3.531 14.413 2.873 1.00 0.00 C ATOM 903 NH1 ARG A 56 -2.608 15.243 2.486 1.00 0.00 N ATOM 904 NH2 ARG A 56 -4.708 14.518 2.303 1.00 0.00 N ATOM 0 H ARG A 56 2.739 11.226 4.748 1.00 0.00 H new ATOM 0 HA ARG A 56 1.033 10.789 2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.307 11.329 4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.761 12.987 4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.947 12.875 2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.517 11.391 3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.199 12.609 5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.535 14.099 4.740 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.153 12.909 4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.674 15.192 2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.818 15.945 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.461 13.882 2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.870 15.236 1.597 1.00 0.00 H new ATOM 918 N ARG A 57 1.358 12.853 0.917 1.00 0.00 N ATOM 919 CA ARG A 57 1.307 14.152 0.144 1.00 0.00 C ATOM 920 C ARG A 57 -0.107 14.529 -0.392 1.00 0.00 C ATOM 921 O ARG A 57 -0.653 15.472 0.197 1.00 0.00 O ATOM 922 CB ARG A 57 2.576 14.245 -0.740 1.00 0.00 C ATOM 923 CG ARG A 57 3.042 15.607 -1.277 1.00 0.00 C ATOM 924 CD ARG A 57 2.147 16.242 -2.348 1.00 0.00 C ATOM 925 NE ARG A 57 3.083 16.884 -3.322 1.00 0.00 N ATOM 926 CZ ARG A 57 2.850 17.987 -4.047 1.00 0.00 C ATOM 927 NH1 ARG A 57 1.744 18.701 -3.915 1.00 0.00 N ATOM 928 NH2 ARG A 57 3.748 18.359 -4.894 1.00 0.00 N ATOM 0 H ARG A 57 0.975 12.051 0.417 1.00 0.00 H new ATOM 0 HA ARG A 57 1.393 15.032 0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.402 13.823 -0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.420 13.594 -1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.121 16.299 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.044 15.490 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.527 15.491 -2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.472 16.977 -1.910 1.00 0.00 H new ATOM 0 HE ARG A 57 3.991 16.437 -3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.031 18.418 -3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.604 19.535 -4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.607 17.818 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.600 19.194 -5.460 1.00 0.00 H new ATOM 942 N PRO A 58 -0.726 13.930 -1.469 1.00 0.00 N ATOM 943 CA PRO A 58 -1.967 14.511 -2.142 1.00 0.00 C ATOM 944 C PRO A 58 -3.385 14.320 -1.506 1.00 0.00 C ATOM 945 O PRO A 58 -3.406 13.651 -0.449 1.00 0.00 O ATOM 946 CB PRO A 58 -1.855 13.852 -3.531 1.00 0.00 C ATOM 947 CG PRO A 58 -1.154 12.496 -3.261 1.00 0.00 C ATOM 948 CD PRO A 58 -0.143 12.790 -2.188 1.00 0.00 C ATOM 0 HA PRO A 58 -1.944 15.599 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.837 13.709 -3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.275 14.469 -4.218 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.868 11.740 -2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.674 12.113 -4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.004 11.934 -1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.830 13.038 -2.611 1.00 0.00 H new ATOM 956 N PRO A 59 -4.551 14.787 -2.072 1.00 0.00 N ATOM 957 CA PRO A 59 -5.891 14.626 -1.431 1.00 0.00 C ATOM 958 C PRO A 59 -6.356 13.284 -0.719 1.00 0.00 C ATOM 959 O PRO A 59 -6.683 13.372 0.469 1.00 0.00 O ATOM 960 CB PRO A 59 -6.848 15.209 -2.519 1.00 0.00 C ATOM 961 CG PRO A 59 -6.030 16.238 -3.294 1.00 0.00 C ATOM 962 CD PRO A 59 -4.634 15.582 -3.318 1.00 0.00 C ATOM 0 HA PRO A 59 -5.879 15.142 -0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.212 14.422 -3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.723 15.671 -2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.423 16.400 -4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.017 17.208 -2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.513 14.949 -4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.847 16.335 -3.357 1.00 0.00 H new ATOM 970 N GLN A 60 -6.438 12.052 -1.220 1.00 0.00 N ATOM 971 CA GLN A 60 -6.284 11.633 -2.644 1.00 0.00 C ATOM 972 C GLN A 60 -7.304 10.468 -2.948 1.00 0.00 C ATOM 973 O GLN A 60 -7.542 9.622 -2.072 1.00 0.00 O ATOM 974 CB GLN A 60 -4.840 11.207 -3.002 1.00 0.00 C ATOM 975 CG GLN A 60 -4.449 10.947 -4.486 1.00 0.00 C ATOM 976 CD GLN A 60 -4.665 12.048 -5.524 1.00 0.00 C ATOM 977 OE1 GLN A 60 -5.529 12.911 -5.453 1.00 0.00 O ATOM 978 NE2 GLN A 60 -3.975 11.956 -6.616 1.00 0.00 N ATOM 0 H GLN A 60 -6.626 11.253 -0.614 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.501 12.498 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.171 11.979 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.624 10.295 -2.446 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.391 10.684 -4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.002 10.069 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.248 11.245 -6.702 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.158 12.594 -7.390 1.00 0.00 H new ATOM 987 N GLY A 61 -7.803 10.338 -4.197 1.00 0.00 N ATOM 988 CA GLY A 61 -8.407 9.096 -4.767 1.00 0.00 C ATOM 989 C GLY A 61 -7.404 7.941 -4.898 1.00 0.00 C ATOM 990 O GLY A 61 -7.419 7.099 -4.002 1.00 0.00 O ATOM 0 H GLY A 61 -7.800 11.112 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.236 8.779 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.824 9.320 -5.749 1.00 0.00 H new ATOM 994 N ASN A 62 -6.633 7.937 -5.976 1.00 0.00 N ATOM 995 CA ASN A 62 -5.691 6.847 -6.319 1.00 0.00 C ATOM 996 C ASN A 62 -4.766 6.377 -5.165 1.00 0.00 C ATOM 997 O ASN A 62 -4.749 5.199 -4.818 1.00 0.00 O ATOM 998 CB ASN A 62 -4.838 7.206 -7.582 1.00 0.00 C ATOM 999 CG ASN A 62 -5.471 7.870 -8.765 1.00 0.00 C ATOM 1000 OD1 ASN A 62 -5.170 9.010 -9.037 1.00 0.00 O ATOM 1001 ND2 ASN A 62 -6.449 7.265 -9.392 1.00 0.00 N ATOM 0 H ASN A 62 -6.634 8.697 -6.657 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.338 5.997 -6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.025 7.851 -7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.385 6.281 -7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.968 7.755 -10.120 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.691 6.304 -9.152 1.00 0.00 H new ATOM 1008 N GLN A 63 -4.064 7.301 -4.463 1.00 0.00 N ATOM 1009 CA GLN A 63 -3.238 6.925 -3.264 1.00 0.00 C ATOM 1010 C GLN A 63 -4.006 6.400 -1.970 1.00 0.00 C ATOM 1011 O GLN A 63 -3.363 6.032 -0.972 1.00 0.00 O ATOM 1012 CB GLN A 63 -2.173 8.046 -3.009 1.00 0.00 C ATOM 1013 CG GLN A 63 -1.051 7.735 -2.011 1.00 0.00 C ATOM 1014 CD GLN A 63 0.047 8.811 -1.807 1.00 0.00 C ATOM 1015 OE1 GLN A 63 0.043 9.574 -0.843 1.00 0.00 O ATOM 1016 NE2 GLN A 63 0.991 8.896 -2.721 1.00 0.00 N ATOM 0 H GLN A 63 -4.045 8.295 -4.691 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.726 5.998 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.714 8.299 -3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.697 8.936 -2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.509 7.534 -1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.563 6.814 -2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.988 8.260 -3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.725 9.598 -2.632 1.00 0.00 H new ATOM 1025 N ALA A 64 -5.357 6.369 -1.950 1.00 0.00 N ATOM 1026 CA ALA A 64 -6.188 5.668 -0.929 1.00 0.00 C ATOM 1027 C ALA A 64 -6.636 4.227 -1.412 1.00 0.00 C ATOM 1028 O ALA A 64 -6.683 3.279 -0.610 1.00 0.00 O ATOM 1029 CB ALA A 64 -7.348 6.623 -0.596 1.00 0.00 C ATOM 0 H ALA A 64 -5.920 6.840 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.625 5.455 -0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.995 6.163 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.948 7.558 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.923 6.826 -1.499 1.00 0.00 H new ATOM 1035 N HIS A 65 -6.978 4.048 -2.705 1.00 0.00 N ATOM 1036 CA HIS A 65 -7.391 2.735 -3.376 1.00 0.00 C ATOM 1037 C HIS A 65 -6.197 1.844 -3.841 1.00 0.00 C ATOM 1038 O HIS A 65 -6.029 0.669 -3.372 1.00 0.00 O ATOM 1039 CB HIS A 65 -8.369 3.076 -4.582 1.00 0.00 C ATOM 1040 CG HIS A 65 -9.765 3.445 -4.174 1.00 0.00 C ATOM 1041 ND1 HIS A 65 -10.937 2.954 -4.744 1.00 0.00 N ATOM 1042 CD2 HIS A 65 -10.006 4.581 -3.413 1.00 0.00 C ATOM 1043 CE1 HIS A 65 -11.819 3.853 -4.265 1.00 0.00 C ATOM 1044 NE2 HIS A 65 -11.348 4.853 -3.471 1.00 0.00 N ATOM 0 H HIS A 65 -6.984 4.828 -3.362 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.899 2.128 -2.627 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.943 3.900 -5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.416 2.215 -5.248 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -11.085 2.147 -5.350 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.266 5.150 -2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.870 3.782 -4.504 1.00 0.00 H new ATOM 1053 N GLN A 66 -5.288 2.377 -4.642 1.00 0.00 N ATOM 1054 CA GLN A 66 -4.394 1.669 -5.619 1.00 0.00 C ATOM 1055 C GLN A 66 -3.239 0.826 -4.969 1.00 0.00 C ATOM 1056 O GLN A 66 -2.767 1.177 -3.875 1.00 0.00 O ATOM 1057 CB GLN A 66 -3.974 2.802 -6.583 1.00 0.00 C ATOM 1058 CG GLN A 66 -3.176 2.439 -7.865 1.00 0.00 C ATOM 1059 CD GLN A 66 -2.568 3.651 -8.579 1.00 0.00 C ATOM 1060 OE1 GLN A 66 -3.101 4.179 -9.531 1.00 0.00 O ATOM 1061 NE2 GLN A 66 -1.370 4.066 -8.220 1.00 0.00 N ATOM 0 H GLN A 66 -5.123 3.384 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.893 0.860 -6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.880 3.322 -6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.377 3.515 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.377 1.746 -7.600 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.836 1.915 -8.556 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.900 3.638 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.913 4.815 -8.740 1.00 0.00 H new ATOM 1070 N ASP A 67 -2.740 -0.245 -5.647 1.00 0.00 N ATOM 1071 CA ASP A 67 -1.318 -0.707 -5.562 1.00 0.00 C ATOM 1072 C ASP A 67 -0.378 -0.033 -6.616 1.00 0.00 C ATOM 1073 O ASP A 67 0.520 0.672 -6.121 1.00 0.00 O ATOM 1074 CB ASP A 67 -1.208 -2.277 -5.500 1.00 0.00 C ATOM 1075 CG ASP A 67 -0.640 -2.911 -4.209 1.00 0.00 C ATOM 1076 OD1 ASP A 67 -0.761 -2.334 -3.132 1.00 0.00 O ATOM 1077 OD2 ASP A 67 -0.108 -4.030 -4.262 1.00 0.00 O ATOM 0 H ASP A 67 -3.311 -0.816 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.932 -0.351 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.204 -2.689 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.586 -2.602 -6.334 1.00 0.00 H new ATOM 1082 N PRO A 68 -0.468 -0.182 -8.002 1.00 0.00 N ATOM 1083 CA PRO A 68 0.704 0.156 -8.877 1.00 0.00 C ATOM 1084 C PRO A 68 0.679 1.518 -9.743 1.00 0.00 C ATOM 1085 O PRO A 68 1.007 2.540 -9.158 1.00 0.00 O ATOM 1086 CB PRO A 68 0.673 -1.176 -9.671 1.00 0.00 C ATOM 1087 CG PRO A 68 -0.796 -1.502 -9.937 1.00 0.00 C ATOM 1088 CD PRO A 68 -1.524 -1.049 -8.679 1.00 0.00 C ATOM 0 HA PRO A 68 1.621 0.426 -8.354 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.223 -1.080 -10.607 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.149 -1.975 -9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.165 -0.978 -10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.939 -2.568 -10.116 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.428 -0.486 -8.910 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.824 -1.891 -8.055 1.00 0.00 H new ATOM 1096 N LEU A 69 0.358 1.513 -11.079 1.00 0.00 N ATOM 1097 CA LEU A 69 0.096 2.752 -11.901 1.00 0.00 C ATOM 1098 C LEU A 69 -0.908 2.505 -13.150 1.00 0.00 C ATOM 1099 O LEU A 69 -1.820 3.319 -13.325 1.00 0.00 O ATOM 1100 CB LEU A 69 1.349 3.527 -12.454 1.00 0.00 C ATOM 1101 CG LEU A 69 2.170 4.448 -11.511 1.00 0.00 C ATOM 1102 CD1 LEU A 69 3.325 4.961 -12.340 1.00 0.00 C ATOM 1103 CD2 LEU A 69 1.337 5.548 -10.943 1.00 0.00 C ATOM 0 H LEU A 69 0.273 0.651 -11.618 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.365 3.384 -11.142 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.036 2.785 -12.861 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.009 4.139 -13.290 1.00 0.00 H new ATOM 0 HG LEU A 69 2.533 3.904 -10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.945 5.619 -11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.923 4.120 -12.690 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.940 5.514 -13.197 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.950 6.168 -10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.939 6.158 -11.753 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.513 5.122 -10.371 1.00 0.00 H new ATOM 1115 N PRO A 70 -0.843 1.479 -14.062 1.00 0.00 N ATOM 1116 CA PRO A 70 -1.727 1.398 -15.272 1.00 0.00 C ATOM 1117 C PRO A 70 -3.111 0.673 -15.055 1.00 0.00 C ATOM 1118 O PRO A 70 -3.278 -0.173 -14.155 1.00 0.00 O ATOM 1119 CB PRO A 70 -0.837 0.526 -16.193 1.00 0.00 C ATOM 1120 CG PRO A 70 -0.013 -0.382 -15.282 1.00 0.00 C ATOM 1121 CD PRO A 70 0.204 0.456 -14.029 1.00 0.00 C ATOM 0 HA PRO A 70 -2.019 2.386 -15.628 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.449 -0.064 -16.875 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.187 1.150 -16.806 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.542 -1.308 -15.057 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.934 -0.660 -15.745 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.129 -0.155 -13.129 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.196 0.908 -14.025 1.00 0.00 H new ATOM 1129 N GLU A 71 -4.038 0.918 -16.012 1.00 0.00 N ATOM 1130 CA GLU A 71 -5.422 0.297 -16.030 1.00 0.00 C ATOM 1131 C GLU A 71 -5.431 -1.113 -16.687 1.00 0.00 C ATOM 1132 O GLU A 71 -6.222 -1.453 -17.549 1.00 0.00 O ATOM 1133 CB GLU A 71 -6.410 1.282 -16.704 1.00 0.00 C ATOM 1134 CG GLU A 71 -6.018 1.757 -18.144 1.00 0.00 C ATOM 1135 CD GLU A 71 -5.106 3.025 -18.229 1.00 0.00 C ATOM 1136 OE1 GLU A 71 -5.675 4.155 -18.213 1.00 0.00 O ATOM 1137 OE2 GLU A 71 -3.839 2.900 -18.184 1.00 0.00 O ATOM 0 H GLU A 71 -3.867 1.546 -16.798 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.748 0.129 -15.004 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.391 0.809 -16.752 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.511 2.160 -16.066 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.510 0.935 -18.649 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.934 1.956 -18.700 1.00 0.00 H new ATOM 1144 N GLN A 72 -4.505 -1.972 -16.226 1.00 0.00 N ATOM 1145 CA GLN A 72 -4.242 -3.318 -16.837 1.00 0.00 C ATOM 1146 C GLN A 72 -4.318 -4.351 -15.682 1.00 0.00 C ATOM 1147 O GLN A 72 -3.240 -4.655 -15.176 1.00 0.00 O ATOM 1148 CB GLN A 72 -2.907 -3.282 -17.621 1.00 0.00 C ATOM 1149 CG GLN A 72 -2.857 -2.540 -18.992 1.00 0.00 C ATOM 1150 CD GLN A 72 -1.508 -2.408 -19.672 1.00 0.00 C ATOM 1151 OE1 GLN A 72 -0.527 -3.067 -19.336 1.00 0.00 O ATOM 1152 NE2 GLN A 72 -1.413 -1.543 -20.632 1.00 0.00 N ATOM 0 H GLN A 72 -3.911 -1.768 -15.422 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.980 -3.612 -17.583 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.157 -2.828 -16.973 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.598 -4.313 -17.793 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.529 -3.056 -19.678 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.259 -1.537 -18.846 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.229 -0.997 -20.909 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.522 -1.408 -21.111 1.00 0.00 H new ATOM 1161 N PRO A 73 -5.458 -4.908 -15.188 1.00 0.00 N ATOM 1162 CA PRO A 73 -5.545 -5.549 -13.833 1.00 0.00 C ATOM 1163 C PRO A 73 -4.990 -7.028 -13.729 1.00 0.00 C ATOM 1164 O PRO A 73 -5.750 -7.987 -13.534 1.00 0.00 O ATOM 1165 CB PRO A 73 -7.030 -5.314 -13.539 1.00 0.00 C ATOM 1166 CG PRO A 73 -7.714 -5.378 -14.891 1.00 0.00 C ATOM 1167 CD PRO A 73 -6.733 -4.836 -15.907 1.00 0.00 C ATOM 0 HA PRO A 73 -4.884 -5.132 -13.073 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.423 -6.072 -12.862 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.189 -4.347 -13.062 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.994 -6.403 -15.134 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.631 -4.789 -14.888 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.720 -5.435 -16.818 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.976 -3.815 -16.201 1.00 0.00 H new ATOM 1175 N SER A 74 -3.657 -7.200 -13.760 1.00 0.00 N ATOM 1176 CA SER A 74 -3.019 -8.512 -13.580 1.00 0.00 C ATOM 1177 C SER A 74 -2.068 -8.568 -12.319 1.00 0.00 C ATOM 1178 O SER A 74 -2.352 -8.032 -11.243 1.00 0.00 O ATOM 1179 CB SER A 74 -2.446 -8.908 -14.996 1.00 0.00 C ATOM 1180 OG SER A 74 -2.045 -10.282 -14.966 1.00 0.00 O ATOM 0 H SER A 74 -2.997 -6.437 -13.910 1.00 0.00 H new ATOM 0 HA SER A 74 -3.711 -9.303 -13.291 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.202 -8.753 -15.766 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.597 -8.273 -15.250 1.00 0.00 H new ATOM 0 HG SER A 74 -1.689 -10.538 -15.842 1.00 0.00 H new ATOM 1186 N SER A 75 -0.903 -9.209 -12.441 1.00 0.00 N ATOM 1187 CA SER A 75 0.133 -9.310 -11.347 1.00 0.00 C ATOM 1188 C SER A 75 1.498 -8.565 -11.660 1.00 0.00 C ATOM 1189 O SER A 75 1.928 -8.479 -12.822 1.00 0.00 O ATOM 1190 CB SER A 75 0.359 -10.824 -11.072 1.00 0.00 C ATOM 1191 OG SER A 75 1.175 -11.446 -12.119 1.00 0.00 O ATOM 0 H SER A 75 -0.626 -9.685 -13.300 1.00 0.00 H new ATOM 0 HA SER A 75 -0.245 -8.793 -10.465 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.848 -10.950 -10.106 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.604 -11.331 -11.011 1.00 0.00 H new ATOM 0 HG SER A 75 1.300 -12.396 -11.915 1.00 0.00 H new ATOM 1197 N GLN A 76 2.188 -8.050 -10.605 1.00 0.00 N ATOM 1198 CA GLN A 76 3.528 -7.332 -10.694 1.00 0.00 C ATOM 1199 C GLN A 76 3.626 -6.037 -11.577 1.00 0.00 C ATOM 1200 O GLN A 76 4.001 -6.022 -12.755 1.00 0.00 O ATOM 1201 CB GLN A 76 4.656 -8.356 -10.968 1.00 0.00 C ATOM 1202 CG GLN A 76 6.019 -7.853 -10.493 1.00 0.00 C ATOM 1203 CD GLN A 76 7.121 -8.916 -10.316 1.00 0.00 C ATOM 1204 OE1 GLN A 76 7.652 -9.137 -9.235 1.00 0.00 O ATOM 1205 NE2 GLN A 76 7.633 -9.481 -11.377 1.00 0.00 N ATOM 0 H GLN A 76 1.840 -8.113 -9.648 1.00 0.00 H new ATOM 0 HA GLN A 76 3.657 -6.885 -9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.422 -9.295 -10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.701 -8.568 -12.036 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.375 -7.108 -11.205 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.881 -7.343 -9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.215 -9.318 -12.293 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.450 -10.085 -11.289 1.00 0.00 H new ATOM 1214 N HIS A 77 3.366 -4.909 -10.937 1.00 0.00 N ATOM 1215 CA HIS A 77 3.142 -3.602 -11.599 1.00 0.00 C ATOM 1216 C HIS A 77 1.961 -3.531 -12.675 1.00 0.00 C ATOM 1217 O HIS A 77 2.182 -3.116 -13.827 1.00 0.00 O ATOM 1218 CB HIS A 77 4.454 -2.875 -11.993 1.00 0.00 C ATOM 1219 CG HIS A 77 4.282 -1.378 -12.202 1.00 0.00 C ATOM 1220 ND1 HIS A 77 4.057 -0.569 -11.145 1.00 0.00 N ATOM 1221 CD2 HIS A 77 4.249 -0.641 -13.378 1.00 0.00 C ATOM 1222 CE1 HIS A 77 3.839 0.660 -11.745 1.00 0.00 C ATOM 1223 NE2 HIS A 77 3.940 0.734 -13.148 1.00 0.00 N ATOM 0 H HIS A 77 3.300 -4.859 -9.920 1.00 0.00 H new ATOM 0 HA HIS A 77 2.714 -2.992 -10.804 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.199 -3.041 -11.215 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.844 -3.319 -12.909 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.436 -1.060 -14.356 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.599 1.533 -11.156 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.828 1.517 -13.792 1.00 0.00 H new ATOM 1232 N ARG A 78 0.748 -3.939 -12.270 1.00 0.00 N ATOM 1233 CA ARG A 78 -0.409 -4.173 -13.165 1.00 0.00 C ATOM 1234 C ARG A 78 -1.781 -3.892 -12.427 1.00 0.00 C ATOM 1235 O ARG A 78 -2.451 -2.918 -12.692 1.00 0.00 O ATOM 1236 CB ARG A 78 -0.337 -5.631 -13.702 1.00 0.00 C ATOM 1237 CG ARG A 78 0.727 -5.998 -14.777 1.00 0.00 C ATOM 1238 CD ARG A 78 0.522 -5.357 -16.145 1.00 0.00 C ATOM 1239 NE ARG A 78 1.510 -6.002 -17.040 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.357 -6.285 -18.308 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.430 -5.713 -19.022 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.193 -7.146 -18.887 1.00 0.00 N ATOM 0 H ARG A 78 0.534 -4.121 -11.290 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.364 -3.477 -14.003 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.177 -6.287 -12.846 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.316 -5.877 -14.114 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.710 -5.711 -14.404 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.736 -7.081 -14.900 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.495 -5.517 -16.504 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.679 -4.279 -16.100 1.00 0.00 H new ATOM 0 HE ARG A 78 2.406 -6.253 -16.623 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.194 -5.029 -18.594 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.328 -5.949 -20.009 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.941 -7.575 -18.342 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.085 -7.376 -19.875 1.00 0.00 H new ATOM 1256 N GLY A 79 -2.235 -4.731 -11.512 1.00 0.00 N ATOM 1257 CA GLY A 79 -3.368 -4.442 -10.552 1.00 0.00 C ATOM 1258 C GLY A 79 -3.188 -4.934 -9.079 1.00 0.00 C ATOM 1259 O GLY A 79 -4.120 -5.493 -8.491 1.00 0.00 O ATOM 0 H GLY A 79 -1.839 -5.663 -11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.530 -3.364 -10.533 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.276 -4.894 -10.952 1.00 0.00 H new ATOM 1263 N ASP A 80 -2.028 -4.625 -8.480 1.00 0.00 N ATOM 1264 CA ASP A 80 -1.421 -5.405 -7.357 1.00 0.00 C ATOM 1265 C ASP A 80 -2.202 -5.956 -6.098 1.00 0.00 C ATOM 1266 O ASP A 80 -1.737 -6.891 -5.425 1.00 0.00 O ATOM 1267 CB ASP A 80 -0.311 -6.299 -7.985 1.00 0.00 C ATOM 1268 CG ASP A 80 0.833 -5.544 -8.683 1.00 0.00 C ATOM 1269 OD1 ASP A 80 0.674 -5.165 -9.863 1.00 0.00 O ATOM 1270 OD2 ASP A 80 1.905 -5.326 -8.064 1.00 0.00 O ATOM 0 H ASP A 80 -1.467 -3.819 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.062 -4.636 -6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.115 -6.923 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.775 -6.969 -8.709 1.00 0.00 H new ATOM 1275 N HIS A 81 -3.314 -5.342 -5.695 1.00 0.00 N ATOM 1276 CA HIS A 81 -4.059 -5.718 -4.447 1.00 0.00 C ATOM 1277 C HIS A 81 -5.619 -5.531 -4.380 1.00 0.00 C ATOM 1278 O HIS A 81 -6.223 -6.320 -3.641 1.00 0.00 O ATOM 1279 CB HIS A 81 -3.405 -5.230 -3.144 1.00 0.00 C ATOM 1280 CG HIS A 81 -3.734 -3.797 -2.842 1.00 0.00 C ATOM 1281 ND1 HIS A 81 -4.010 -2.809 -3.784 1.00 0.00 N ATOM 1282 CD2 HIS A 81 -3.586 -3.261 -1.571 1.00 0.00 C ATOM 1283 CE1 HIS A 81 -4.014 -1.725 -2.985 1.00 0.00 C ATOM 1284 NE2 HIS A 81 -3.767 -1.905 -1.659 1.00 0.00 N ATOM 0 H HIS A 81 -3.740 -4.570 -6.208 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.948 -6.798 -4.540 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.736 -5.858 -2.317 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.324 -5.344 -3.218 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.367 -3.815 -0.670 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.208 -0.741 -3.385 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.727 -1.206 -0.917 1.00 0.00 H new ATOM 1293 N PRO A 82 -6.412 -4.629 -5.071 1.00 0.00 N ATOM 1294 CA PRO A 82 -7.909 -4.588 -4.976 1.00 0.00 C ATOM 1295 C PRO A 82 -8.696 -5.296 -6.136 1.00 0.00 C ATOM 1296 O PRO A 82 -8.116 -5.945 -6.988 1.00 0.00 O ATOM 1297 CB PRO A 82 -8.144 -3.041 -4.950 1.00 0.00 C ATOM 1298 CG PRO A 82 -6.785 -2.357 -5.138 1.00 0.00 C ATOM 1299 CD PRO A 82 -5.917 -3.438 -5.806 1.00 0.00 C ATOM 0 HA PRO A 82 -8.287 -5.145 -4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.833 -2.746 -5.742 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.596 -2.739 -4.005 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.868 -1.468 -5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.363 -2.038 -4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.086 -3.507 -6.881 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.850 -3.269 -5.661 1.00 0.00 H new ATOM 1307 N THR A 83 -10.002 -5.001 -6.264 1.00 0.00 N ATOM 1308 CA THR A 83 -10.648 -4.819 -7.614 1.00 0.00 C ATOM 1309 C THR A 83 -10.462 -3.330 -8.056 1.00 0.00 C ATOM 1310 O THR A 83 -11.298 -2.474 -7.781 1.00 0.00 O ATOM 1311 CB THR A 83 -12.147 -5.308 -7.530 1.00 0.00 C ATOM 1312 OG1 THR A 83 -12.282 -6.690 -7.192 1.00 0.00 O ATOM 1313 CG2 THR A 83 -12.913 -5.190 -8.841 1.00 0.00 C ATOM 0 H THR A 83 -10.637 -4.881 -5.475 1.00 0.00 H new ATOM 0 HA THR A 83 -10.180 -5.426 -8.389 1.00 0.00 H new ATOM 0 HB THR A 83 -12.547 -4.649 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.232 -6.926 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.934 -5.546 -8.699 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.933 -4.147 -9.158 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.421 -5.792 -9.605 1.00 0.00 H new ATOM 1321 N GLY A 84 -9.245 -2.911 -8.606 1.00 0.00 N ATOM 1322 CA GLY A 84 -8.829 -1.475 -8.723 1.00 0.00 C ATOM 1323 C GLY A 84 -7.357 -1.348 -9.214 1.00 0.00 C ATOM 1324 O GLY A 84 -6.450 -1.411 -8.393 1.00 0.00 O ATOM 0 H GLY A 84 -8.550 -3.563 -8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.492 -0.958 -9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.935 -0.984 -7.756 1.00 0.00 H new ATOM 1328 N PRO A 85 -7.050 -1.342 -10.574 1.00 0.00 N ATOM 1329 CA PRO A 85 -5.641 -1.196 -11.049 1.00 0.00 C ATOM 1330 C PRO A 85 -5.127 0.252 -11.017 1.00 0.00 C ATOM 1331 O PRO A 85 -3.954 0.492 -10.699 1.00 0.00 O ATOM 1332 CB PRO A 85 -5.756 -1.839 -12.430 1.00 0.00 C ATOM 1333 CG PRO A 85 -7.183 -1.520 -12.934 1.00 0.00 C ATOM 1334 CD PRO A 85 -8.043 -1.472 -11.634 1.00 0.00 C ATOM 0 HA PRO A 85 -4.883 -1.666 -10.422 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.004 -1.439 -13.110 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.594 -2.915 -12.373 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.214 -0.570 -13.468 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.543 -2.285 -13.622 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.735 -0.630 -11.641 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.641 -2.375 -11.515 1.00 0.00 H new ATOM 1342 N LYS A 86 -5.909 1.237 -11.425 1.00 0.00 N ATOM 1343 CA LYS A 86 -5.520 2.702 -11.483 1.00 0.00 C ATOM 1344 C LYS A 86 -6.683 3.438 -10.738 1.00 0.00 C ATOM 1345 O LYS A 86 -7.734 3.693 -11.321 1.00 0.00 O ATOM 1346 CB LYS A 86 -5.321 2.927 -12.951 1.00 0.00 C ATOM 1347 CG LYS A 86 -4.980 4.360 -13.344 1.00 0.00 C ATOM 1348 CD LYS A 86 -4.501 4.415 -14.801 1.00 0.00 C ATOM 1349 CE LYS A 86 -4.220 5.821 -15.398 1.00 0.00 C ATOM 1350 NZ LYS A 86 -3.932 5.676 -16.854 1.00 0.00 N ATOM 0 H LYS A 86 -6.865 1.073 -11.741 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.614 3.063 -10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.523 2.271 -13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.229 2.629 -13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.856 4.997 -13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.205 4.750 -12.685 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.588 3.825 -14.880 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.251 3.927 -15.423 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.079 6.474 -15.246 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.374 6.284 -14.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.643 6.596 -17.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.166 4.986 -16.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.787 5.345 -17.346 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.572 3.542 -9.393 1.00 0.00 N ATOM 1365 CA GLU A 87 -7.760 3.557 -8.459 1.00 0.00 C ATOM 1366 C GLU A 87 -8.160 2.125 -8.017 1.00 0.00 C ATOM 1367 O GLU A 87 -9.347 1.737 -8.152 1.00 0.00 O ATOM 1368 CB GLU A 87 -8.938 4.506 -8.899 1.00 0.00 C ATOM 1369 CG GLU A 87 -9.778 4.983 -7.672 1.00 0.00 C ATOM 1370 CD GLU A 87 -9.533 6.306 -6.977 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -9.425 7.361 -7.621 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -9.607 6.338 -5.729 1.00 0.00 O ATOM 1373 OXT GLU A 87 -7.309 1.430 -7.388 1.00 0.00 O ATOM 0 H GLU A 87 -5.675 3.618 -8.913 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.432 4.051 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.533 5.372 -9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.585 3.982 -9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.820 4.988 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.682 4.209 -6.910 1.00 0.00 H new