USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=28 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 13 HIS : no HE2:sc= -0.667 K(o=-7.9,f=-12!) USER MOD Set 1.2: A 81 HIS : no HD1:sc= -7.26! C(o=-7.9!,f=-14!) USER MOD Set 2.1: A 12 ASN : amide:sc= 0.851 K(o=0.72,f=-0.3) USER MOD Set 2.2: A 46 SER OG : rot -20:sc= -0.127 USER MOD Set 3.1: A 41 LYS NZ :NH3+ -146:sc= 2.46 (180deg=2.07) USER MOD Set 3.2: A 47 TYR OH : rot 105:sc= 0.44 USER MOD Set 4.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 23 ASN : amide:sc= 0.115 K(o=1.3,f=0.25) USER MOD Set 5.2: A 28 LYS NZ :NH3+ -148:sc= 1.15 (180deg=0.506) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.126 (180deg=-0.163) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0 (180deg=-0.375) USER MOD Single : A 7 ASN : amide:sc= -0.0118 X(o=-0.012,f=-0.49) USER MOD Single : A 16 SER OG : rot -54:sc= 0.967 USER MOD Single : A 17 GLN : amide:sc= 0.351 K(o=0.35,f=-2.3) USER MOD Single : A 20 THR OG1 : rot -8:sc= 1.22 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.0519 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 25:sc= 0.0234 USER MOD Single : A 27 CYS SG : rot -140:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0.877 (180deg=0.77) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= 0.0234 USER MOD Single : A 32 TYR OH : rot 102:sc= -0.0976 USER MOD Single : A 33 HIS : no HE2:sc= -1.98 K(o=-2,f=-4.4!) USER MOD Single : A 35 GLN : amide:sc= -0.0552 K(o=-0.055,f=-1.5!) 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 50:sc= 0.31 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= 1.92 (180deg=1.35) USER MOD Single : A 54 GLN : amide:sc= 0.81 K(o=0.81,f=-0.021) USER MOD Single : A 60 GLN : amide:sc= -0.524 K(o=-0.52,f=-2.7) USER MOD Single : A 62 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.15) USER MOD Single : A 63 GLN : amide:sc= 0.655 K(o=0.65,f=-1.4!) USER MOD Single : A 65 HIS : no HE2:sc= -0.206 X(o=-0.21,f=-0.058) USER MOD Single : A 66 GLN : amide:sc= -0.207 K(o=-0.21,f=-3.3) USER MOD Single : A 72 GLN : amide:sc= 0.212 K(o=0.21,f=-2.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.143 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 HE2:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.667 4.574 -1.843 1.00 0.00 N ATOM 2 CA MET A 1 10.237 4.977 -2.036 1.00 0.00 C ATOM 3 C MET A 1 9.817 6.293 -1.257 1.00 0.00 C ATOM 4 O MET A 1 9.470 7.286 -1.879 1.00 0.00 O ATOM 5 CB MET A 1 9.265 3.751 -1.849 1.00 0.00 C ATOM 6 CG MET A 1 9.419 2.532 -2.769 1.00 0.00 C ATOM 7 SD MET A 1 8.507 1.136 -2.108 1.00 0.00 S ATOM 8 CE MET A 1 8.848 -0.124 -3.328 1.00 0.00 C ATOM 0 H1 MET A 1 12.067 4.268 -2.753 1.00 0.00 H new ATOM 0 H2 MET A 1 12.210 5.384 -1.481 1.00 0.00 H new ATOM 0 H3 MET A 1 11.718 3.790 -1.161 1.00 0.00 H new ATOM 0 HA MET A 1 10.134 5.283 -3.077 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.369 3.403 -0.821 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.245 4.120 -1.959 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.055 2.773 -3.768 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.473 2.273 -2.868 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.172 -0.966 -3.180 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.702 0.287 -4.327 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.879 -0.463 -3.223 1.00 0.00 H new ATOM 19 N ASP A 2 10.067 6.379 0.057 1.00 0.00 N ATOM 20 CA ASP A 2 9.899 7.597 0.893 1.00 0.00 C ATOM 21 C ASP A 2 10.533 9.014 0.494 1.00 0.00 C ATOM 22 O ASP A 2 9.778 9.996 0.493 1.00 0.00 O ATOM 23 CB ASP A 2 10.198 7.099 2.355 1.00 0.00 C ATOM 24 CG ASP A 2 9.753 8.051 3.448 1.00 0.00 C ATOM 25 OD1 ASP A 2 10.256 9.179 3.559 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.972 7.654 4.334 1.00 0.00 O ATOM 0 H ASP A 2 10.404 5.580 0.595 1.00 0.00 H new ATOM 0 HA ASP A 2 8.886 7.962 0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.706 6.138 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.270 6.927 2.455 1.00 0.00 H new ATOM 31 N PRO A 3 11.839 9.216 0.220 1.00 0.00 N ATOM 32 CA PRO A 3 12.466 10.546 0.052 1.00 0.00 C ATOM 33 C PRO A 3 12.136 11.469 -1.181 1.00 0.00 C ATOM 34 O PRO A 3 12.769 12.534 -1.255 1.00 0.00 O ATOM 35 CB PRO A 3 13.968 10.163 0.205 1.00 0.00 C ATOM 36 CG PRO A 3 14.101 8.823 -0.368 1.00 0.00 C ATOM 37 CD PRO A 3 12.823 8.136 0.121 1.00 0.00 C ATOM 0 HA PRO A 3 12.049 11.250 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.608 10.876 -0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.268 10.171 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.159 8.849 -1.456 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.998 8.315 -0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.496 7.364 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.977 7.651 1.085 1.00 0.00 H new ATOM 45 N VAL A 4 11.187 11.146 -2.084 1.00 0.00 N ATOM 46 CA VAL A 4 10.633 12.062 -3.135 1.00 0.00 C ATOM 47 C VAL A 4 9.558 13.056 -2.476 1.00 0.00 C ATOM 48 O VAL A 4 9.963 13.929 -1.680 1.00 0.00 O ATOM 49 CB VAL A 4 10.219 11.236 -4.397 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.658 12.121 -5.540 1.00 0.00 C ATOM 51 CG2 VAL A 4 11.419 10.466 -4.980 1.00 0.00 C ATOM 0 H VAL A 4 10.765 10.218 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 4 11.379 12.748 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 4 9.444 10.555 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.388 11.492 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.775 12.654 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.416 12.841 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.099 9.902 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.199 11.171 -5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.810 9.779 -4.229 1.00 0.00 H new ATOM 61 N ASP A 5 8.245 12.924 -2.700 1.00 0.00 N ATOM 62 CA ASP A 5 7.187 13.738 -1.997 1.00 0.00 C ATOM 63 C ASP A 5 5.963 13.034 -1.240 1.00 0.00 C ATOM 64 O ASP A 5 5.751 13.346 -0.050 1.00 0.00 O ATOM 65 CB ASP A 5 6.863 15.087 -2.677 1.00 0.00 C ATOM 66 CG ASP A 5 6.010 15.109 -3.907 1.00 0.00 C ATOM 67 OD1 ASP A 5 5.999 14.135 -4.664 1.00 0.00 O ATOM 68 OD2 ASP A 5 5.303 16.135 -4.097 1.00 0.00 O ATOM 0 H ASP A 5 7.863 12.256 -3.370 1.00 0.00 H new ATOM 0 HA ASP A 5 7.755 13.959 -1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.379 15.719 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.811 15.561 -2.929 1.00 0.00 H new ATOM 73 N PRO A 6 5.233 11.962 -1.706 1.00 0.00 N ATOM 74 CA PRO A 6 5.172 11.503 -3.128 1.00 0.00 C ATOM 75 C PRO A 6 3.755 11.750 -3.796 1.00 0.00 C ATOM 76 O PRO A 6 2.695 11.522 -3.172 1.00 0.00 O ATOM 77 CB PRO A 6 5.432 10.024 -2.965 1.00 0.00 C ATOM 78 CG PRO A 6 4.903 9.666 -1.579 1.00 0.00 C ATOM 79 CD PRO A 6 4.683 10.943 -0.767 1.00 0.00 C ATOM 0 HA PRO A 6 5.868 12.031 -3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.924 9.449 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.496 9.801 -3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.967 9.114 -1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.610 9.014 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.631 11.114 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.215 10.926 0.184 1.00 0.00 H new ATOM 87 N ASN A 7 3.732 12.129 -5.098 1.00 0.00 N ATOM 88 CA ASN A 7 2.441 12.297 -5.826 1.00 0.00 C ATOM 89 C ASN A 7 1.806 10.952 -6.348 1.00 0.00 C ATOM 90 O ASN A 7 1.000 10.366 -5.657 1.00 0.00 O ATOM 91 CB ASN A 7 2.566 13.408 -6.936 1.00 0.00 C ATOM 92 CG ASN A 7 2.876 14.814 -6.382 1.00 0.00 C ATOM 93 OD1 ASN A 7 2.029 15.466 -5.771 1.00 0.00 O ATOM 94 ND2 ASN A 7 4.081 15.285 -6.603 1.00 0.00 N ATOM 0 H ASN A 7 4.564 12.320 -5.656 1.00 0.00 H new ATOM 0 HA ASN A 7 1.715 12.646 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.352 13.122 -7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.635 13.448 -7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.336 16.213 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.763 14.723 -7.112 1.00 0.00 H new ATOM 101 N LEU A 8 2.182 10.437 -7.507 1.00 0.00 N ATOM 102 CA LEU A 8 1.596 9.203 -8.141 1.00 0.00 C ATOM 103 C LEU A 8 2.753 8.236 -8.433 1.00 0.00 C ATOM 104 O LEU A 8 3.321 8.227 -9.532 1.00 0.00 O ATOM 105 CB LEU A 8 0.813 9.592 -9.430 1.00 0.00 C ATOM 106 CG LEU A 8 -0.583 10.292 -9.219 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.255 10.700 -10.589 1.00 0.00 C ATOM 108 CD2 LEU A 8 -1.606 9.393 -8.466 1.00 0.00 C ATOM 0 H LEU A 8 2.921 10.856 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 8 0.884 8.714 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.441 10.256 -10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.656 8.689 -10.020 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.355 11.174 -8.621 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.215 11.179 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.604 11.394 -11.121 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.410 9.809 -11.198 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.547 9.930 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.777 8.480 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.212 9.138 -7.482 1.00 0.00 H new ATOM 120 N GLU A 9 3.226 7.437 -7.411 1.00 0.00 N ATOM 121 CA GLU A 9 4.583 6.778 -7.518 1.00 0.00 C ATOM 122 C GLU A 9 4.506 5.308 -8.121 1.00 0.00 C ATOM 123 O GLU A 9 3.568 4.546 -7.830 1.00 0.00 O ATOM 124 CB GLU A 9 5.151 6.719 -6.083 1.00 0.00 C ATOM 125 CG GLU A 9 6.677 6.414 -5.998 1.00 0.00 C ATOM 126 CD GLU A 9 7.257 6.281 -4.624 1.00 0.00 C ATOM 127 OE1 GLU A 9 6.990 7.116 -3.724 1.00 0.00 O ATOM 128 OE2 GLU A 9 8.010 5.344 -4.391 1.00 0.00 O ATOM 0 H GLU A 9 2.719 7.241 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 9 5.214 7.353 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.957 7.672 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.610 5.955 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.871 5.489 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.213 7.207 -6.519 1.00 0.00 H new ATOM 135 N PRO A 10 5.488 4.805 -8.923 1.00 0.00 N ATOM 136 CA PRO A 10 5.570 3.340 -9.347 1.00 0.00 C ATOM 137 C PRO A 10 5.241 2.160 -8.400 1.00 0.00 C ATOM 138 O PRO A 10 4.513 1.249 -8.844 1.00 0.00 O ATOM 139 CB PRO A 10 6.992 3.303 -9.913 1.00 0.00 C ATOM 140 CG PRO A 10 7.242 4.699 -10.516 1.00 0.00 C ATOM 141 CD PRO A 10 6.587 5.608 -9.497 1.00 0.00 C ATOM 0 HA PRO A 10 4.730 3.121 -10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.718 3.079 -9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.091 2.526 -10.671 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.306 4.911 -10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.792 4.803 -11.503 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.296 5.915 -8.728 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.210 6.518 -9.964 1.00 0.00 H new ATOM 149 N TRP A 11 5.677 2.248 -7.128 1.00 0.00 N ATOM 150 CA TRP A 11 4.974 1.549 -6.036 1.00 0.00 C ATOM 151 C TRP A 11 5.129 2.316 -4.711 1.00 0.00 C ATOM 152 O TRP A 11 6.163 2.175 -4.052 1.00 0.00 O ATOM 153 CB TRP A 11 5.376 0.062 -5.834 1.00 0.00 C ATOM 154 CG TRP A 11 4.390 -0.762 -4.999 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.267 -1.452 -5.498 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.205 -0.674 -3.636 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.376 -1.808 -4.467 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.980 -1.313 -3.322 1.00 0.00 C ATOM 159 CE3 TRP A 11 4.985 -0.067 -2.618 1.00 0.00 C ATOM 160 CZ2 TRP A 11 2.531 -1.359 -1.984 1.00 0.00 C ATOM 161 CZ3 TRP A 11 4.524 -0.131 -1.303 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.316 -0.770 -0.989 1.00 0.00 C ATOM 0 H TRP A 11 6.494 2.784 -6.836 1.00 0.00 H new ATOM 0 HA TRP A 11 3.930 1.530 -6.349 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.483 -0.407 -6.812 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.354 0.027 -5.355 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.109 -1.680 -6.542 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.493 -2.312 -4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.913 0.432 -2.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.597 -1.841 -1.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.107 0.319 -0.513 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.987 -0.808 0.039 1.00 0.00 H new ATOM 173 N ASN A 12 4.132 3.042 -4.201 1.00 0.00 N ATOM 174 CA ASN A 12 4.098 3.524 -2.797 1.00 0.00 C ATOM 175 C ASN A 12 2.593 3.776 -2.425 1.00 0.00 C ATOM 176 O ASN A 12 1.946 4.717 -2.934 1.00 0.00 O ATOM 177 CB ASN A 12 4.969 4.783 -2.635 1.00 0.00 C ATOM 178 CG ASN A 12 5.304 5.224 -1.218 1.00 0.00 C ATOM 179 OD1 ASN A 12 4.959 4.606 -0.202 1.00 0.00 O ATOM 180 ND2 ASN A 12 6.207 6.222 -1.110 1.00 0.00 N ATOM 0 H ASN A 12 3.315 3.320 -4.745 1.00 0.00 H new ATOM 0 HA ASN A 12 4.516 2.784 -2.114 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.906 4.615 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.463 5.609 -3.134 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.598 6.460 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.499 6.738 -1.940 1.00 0.00 H new ATOM 187 N HIS A 13 2.032 2.936 -1.541 1.00 0.00 N ATOM 188 CA HIS A 13 0.720 3.137 -0.935 1.00 0.00 C ATOM 189 C HIS A 13 0.794 3.347 0.644 1.00 0.00 C ATOM 190 O HIS A 13 0.945 2.391 1.391 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 2.493 2.082 -1.226 1.00 0.00 H new ATOM 0 HA HIS A 13 0.297 4.067 -1.314 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.179 1.847 -2.433 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.178 1.034 -0.922 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 0.598 4.581 1.241 1.00 0.00 N ATOM 206 CA PRO A 14 0.491 4.790 2.735 1.00 0.00 C ATOM 207 C PRO A 14 -0.668 4.075 3.576 1.00 0.00 C ATOM 208 O PRO A 14 -0.342 3.446 4.578 1.00 0.00 O ATOM 209 CB PRO A 14 0.523 6.342 2.841 1.00 0.00 C ATOM 210 CG PRO A 14 1.221 6.822 1.574 1.00 0.00 C ATOM 211 CD PRO A 14 0.819 5.834 0.486 1.00 0.00 C ATOM 0 HA PRO A 14 1.300 4.262 3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.485 6.751 2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.062 6.664 3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.913 7.835 1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.303 6.841 1.706 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.082 6.154 -0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.601 5.720 -0.265 1.00 0.00 H new ATOM 219 N GLY A 15 -1.936 4.252 3.193 1.00 0.00 N ATOM 220 CA GLY A 15 -3.060 3.789 4.014 1.00 0.00 C ATOM 221 C GLY A 15 -4.254 3.196 3.252 1.00 0.00 C ATOM 222 O GLY A 15 -4.143 2.265 2.463 1.00 0.00 O ATOM 0 H GLY A 15 -2.210 4.710 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.689 3.037 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.417 4.628 4.612 1.00 0.00 H new ATOM 226 N SER A 16 -5.465 3.738 3.476 1.00 0.00 N ATOM 227 CA SER A 16 -6.690 3.542 2.593 1.00 0.00 C ATOM 228 C SER A 16 -7.838 4.526 3.047 1.00 0.00 C ATOM 229 O SER A 16 -7.877 5.665 2.578 1.00 0.00 O ATOM 230 CB SER A 16 -7.131 2.080 2.399 1.00 0.00 C ATOM 231 OG SER A 16 -7.761 1.572 3.570 1.00 0.00 O ATOM 0 H SER A 16 -5.651 4.337 4.280 1.00 0.00 H new ATOM 0 HA SER A 16 -6.403 3.813 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.818 2.014 1.555 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.265 1.466 2.153 1.00 0.00 H new ATOM 0 HG SER A 16 -7.167 1.694 4.340 1.00 0.00 H new ATOM 237 N GLN A 17 -8.767 4.116 3.942 1.00 0.00 N ATOM 238 CA GLN A 17 -10.119 4.761 4.033 1.00 0.00 C ATOM 239 C GLN A 17 -10.392 5.664 5.315 1.00 0.00 C ATOM 240 O GLN A 17 -9.863 5.284 6.376 1.00 0.00 O ATOM 241 CB GLN A 17 -11.198 3.680 3.818 1.00 0.00 C ATOM 242 CG GLN A 17 -11.175 2.925 2.432 1.00 0.00 C ATOM 243 CD GLN A 17 -11.624 3.785 1.238 1.00 0.00 C ATOM 244 OE1 GLN A 17 -12.336 4.765 1.400 1.00 0.00 O ATOM 245 NE2 GLN A 17 -11.301 3.326 0.057 1.00 0.00 N ATOM 0 H GLN A 17 -8.619 3.355 4.605 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.158 5.503 3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.101 2.939 4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.176 4.147 3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.164 2.563 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.820 2.049 2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.703 2.504 -0.025 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.647 3.790 -0.783 1.00 0.00 H new ATOM 254 N PRO A 18 -11.189 6.792 5.270 1.00 0.00 N ATOM 255 CA PRO A 18 -11.892 7.268 4.056 1.00 0.00 C ATOM 256 C PRO A 18 -11.113 8.186 3.053 1.00 0.00 C ATOM 257 O PRO A 18 -10.698 9.269 3.490 1.00 0.00 O ATOM 258 CB PRO A 18 -13.108 8.021 4.632 1.00 0.00 C ATOM 259 CG PRO A 18 -12.652 8.519 6.009 1.00 0.00 C ATOM 260 CD PRO A 18 -11.611 7.521 6.498 1.00 0.00 C ATOM 0 HA PRO A 18 -12.102 6.406 3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.399 8.851 3.989 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.974 7.365 4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.228 9.521 5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.493 8.575 6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.768 8.026 6.970 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.030 6.841 7.239 1.00 0.00 H new ATOM 268 N ARG A 19 -10.917 7.727 1.791 1.00 0.00 N ATOM 269 CA ARG A 19 -9.996 8.366 0.767 1.00 0.00 C ATOM 270 C ARG A 19 -8.777 9.334 1.252 1.00 0.00 C ATOM 271 O ARG A 19 -8.653 10.427 0.744 1.00 0.00 O ATOM 272 CB ARG A 19 -10.867 8.894 -0.406 1.00 0.00 C ATOM 273 CG ARG A 19 -10.789 8.069 -1.755 1.00 0.00 C ATOM 274 CD ARG A 19 -11.615 8.742 -2.891 1.00 0.00 C ATOM 275 NE ARG A 19 -11.681 7.947 -4.191 1.00 0.00 N ATOM 276 CZ ARG A 19 -12.704 7.862 -5.022 1.00 0.00 C ATOM 277 NH1 ARG A 19 -13.875 8.399 -4.810 1.00 0.00 N ATOM 278 NH2 ARG A 19 -12.535 7.205 -6.102 1.00 0.00 N ATOM 0 H ARG A 19 -11.390 6.896 1.434 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.340 7.564 0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.906 8.919 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.574 9.923 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.748 7.979 -2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.160 7.058 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.630 8.910 -2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.186 9.721 -3.102 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.844 7.424 -4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.046 8.927 -3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.618 8.290 -5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.634 6.769 -6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.301 7.116 -6.770 1.00 0.00 H new ATOM 292 N THR A 20 -7.983 8.923 2.229 1.00 0.00 N ATOM 293 CA THR A 20 -7.313 9.899 3.159 1.00 0.00 C ATOM 294 C THR A 20 -5.931 10.517 2.664 1.00 0.00 C ATOM 295 O THR A 20 -5.891 11.751 2.678 1.00 0.00 O ATOM 296 CB THR A 20 -7.252 9.309 4.624 1.00 0.00 C ATOM 297 OG1 THR A 20 -8.527 8.828 5.074 1.00 0.00 O ATOM 298 CG2 THR A 20 -6.796 10.342 5.709 1.00 0.00 C ATOM 0 H THR A 20 -7.772 7.944 2.420 1.00 0.00 H new ATOM 0 HA THR A 20 -7.954 10.780 3.161 1.00 0.00 H new ATOM 0 HB THR A 20 -6.520 8.506 4.533 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.219 9.083 4.429 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.780 9.860 6.686 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.797 10.706 5.468 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.493 11.180 5.729 1.00 0.00 H new ATOM 306 N PRO A 21 -4.870 9.837 2.118 1.00 0.00 N ATOM 307 CA PRO A 21 -4.594 8.363 2.182 1.00 0.00 C ATOM 308 C PRO A 21 -4.142 7.664 3.492 1.00 0.00 C ATOM 309 O PRO A 21 -4.625 6.584 3.826 1.00 0.00 O ATOM 310 CB PRO A 21 -3.528 8.203 1.021 1.00 0.00 C ATOM 311 CG PRO A 21 -2.751 9.506 1.021 1.00 0.00 C ATOM 312 CD PRO A 21 -3.886 10.508 1.243 1.00 0.00 C ATOM 0 HA PRO A 21 -5.545 7.838 2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.872 7.352 1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.013 8.033 0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.004 9.543 1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.226 9.676 0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.513 11.421 1.707 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.341 10.795 0.295 1.00 0.00 H new ATOM 320 N CYS A 22 -3.260 8.327 4.248 1.00 0.00 N ATOM 321 CA CYS A 22 -2.343 7.726 5.225 1.00 0.00 C ATOM 322 C CYS A 22 -2.895 6.955 6.449 1.00 0.00 C ATOM 323 O CYS A 22 -2.435 5.840 6.679 1.00 0.00 O ATOM 324 CB CYS A 22 -1.507 8.958 5.653 1.00 0.00 C ATOM 325 SG CYS A 22 -0.002 8.451 6.606 1.00 0.00 S ATOM 0 H CYS A 22 -3.161 9.341 4.194 1.00 0.00 H new ATOM 0 HA CYS A 22 -1.823 6.893 4.752 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.208 9.522 4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.120 9.622 6.263 1.00 0.00 H new ATOM 0 HG CYS A 22 0.674 9.509 6.945 1.00 0.00 H new ATOM 331 N ASN A 23 -3.840 7.527 7.260 1.00 0.00 N ATOM 332 CA ASN A 23 -4.317 6.857 8.505 1.00 0.00 C ATOM 333 C ASN A 23 -3.240 6.729 9.641 1.00 0.00 C ATOM 334 O ASN A 23 -2.054 6.580 9.366 1.00 0.00 O ATOM 335 CB ASN A 23 -5.081 5.510 8.236 1.00 0.00 C ATOM 336 CG ASN A 23 -6.444 5.687 7.638 1.00 0.00 C ATOM 337 OD1 ASN A 23 -7.428 5.392 8.317 1.00 0.00 O ATOM 338 ND2 ASN A 23 -6.641 5.968 6.397 1.00 0.00 N ATOM 0 H ASN A 23 -4.275 8.431 7.076 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.055 7.552 8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.481 4.892 7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.176 4.965 9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.585 5.941 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.853 6.218 5.799 1.00 0.00 H new ATOM 345 N LYS A 24 -3.612 6.580 10.913 1.00 0.00 N ATOM 346 CA LYS A 24 -2.681 6.048 11.969 1.00 0.00 C ATOM 347 C LYS A 24 -2.445 4.479 11.904 1.00 0.00 C ATOM 348 O LYS A 24 -2.252 3.873 12.961 1.00 0.00 O ATOM 349 CB LYS A 24 -3.240 6.622 13.324 1.00 0.00 C ATOM 350 CG LYS A 24 -2.287 6.537 14.585 1.00 0.00 C ATOM 351 CD LYS A 24 -2.801 7.339 15.806 1.00 0.00 C ATOM 352 CE LYS A 24 -1.740 7.484 16.901 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.323 8.231 18.028 1.00 0.00 N ATOM 0 H LYS A 24 -4.543 6.813 11.259 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.654 6.384 11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.502 7.668 13.167 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.164 6.094 13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.169 5.492 14.871 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.299 6.905 14.309 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.119 8.329 15.479 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.679 6.843 16.219 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.403 6.502 17.233 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.866 8.007 16.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.612 8.337 18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.625 9.171 17.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.145 7.713 18.400 1.00 0.00 H new ATOM 367 N CYS A 25 -2.479 3.823 10.746 1.00 0.00 N ATOM 368 CA CYS A 25 -2.284 2.357 10.521 1.00 0.00 C ATOM 369 C CYS A 25 -2.167 1.999 8.950 1.00 0.00 C ATOM 370 O CYS A 25 -2.796 2.651 8.129 1.00 0.00 O ATOM 371 CB CYS A 25 -3.470 1.612 11.192 1.00 0.00 C ATOM 372 SG CYS A 25 -3.176 -0.196 11.251 1.00 0.00 S ATOM 0 H CYS A 25 -2.654 4.316 9.870 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.343 2.038 10.968 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.615 1.992 12.203 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.388 1.815 10.641 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.187 -0.782 11.820 1.00 0.00 H new ATOM 378 N TYR A 26 -1.410 0.949 8.619 1.00 0.00 N ATOM 379 CA TYR A 26 -1.278 0.452 7.221 1.00 0.00 C ATOM 380 C TYR A 26 -2.557 -0.292 6.699 1.00 0.00 C ATOM 381 O TYR A 26 -2.973 -1.283 7.275 1.00 0.00 O ATOM 382 CB TYR A 26 -0.015 -0.499 7.119 1.00 0.00 C ATOM 383 CG TYR A 26 1.417 0.102 6.998 1.00 0.00 C ATOM 384 CD1 TYR A 26 1.968 0.361 5.732 1.00 0.00 C ATOM 385 CD2 TYR A 26 2.184 0.329 8.132 1.00 0.00 C ATOM 386 CE1 TYR A 26 3.261 0.882 5.599 1.00 0.00 C ATOM 387 CE2 TYR A 26 3.499 0.817 8.000 1.00 0.00 C ATOM 388 CZ TYR A 26 4.036 1.058 6.746 1.00 0.00 C ATOM 389 OH TYR A 26 5.298 1.533 6.595 1.00 0.00 O ATOM 0 H TYR A 26 -0.869 0.413 9.298 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.152 1.326 6.582 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.022 -1.140 8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.167 -1.145 6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.385 0.155 4.847 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.774 0.132 9.112 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.651 1.143 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.093 1.005 8.883 1.00 0.00 H new ATOM 0 HH TYR A 26 5.356 2.048 5.763 1.00 0.00 H new ATOM 399 N CYS A 27 -3.098 0.156 5.543 1.00 0.00 N ATOM 400 CA CYS A 27 -4.325 -0.398 4.877 1.00 0.00 C ATOM 401 C CYS A 27 -5.573 -0.018 5.675 1.00 0.00 C ATOM 402 O CYS A 27 -6.142 1.060 5.465 1.00 0.00 O ATOM 403 CB CYS A 27 -4.161 -1.876 4.431 1.00 0.00 C ATOM 404 SG CYS A 27 -5.597 -2.376 3.365 1.00 0.00 S ATOM 0 H CYS A 27 -2.691 0.934 5.024 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.477 0.080 3.909 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.228 -1.998 3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.102 -2.525 5.305 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.956 -3.589 3.662 1.00 0.00 H new ATOM 410 N LYS A 28 -6.011 -0.832 6.655 1.00 0.00 N ATOM 411 CA LYS A 28 -7.169 -0.518 7.583 1.00 0.00 C ATOM 412 C LYS A 28 -8.582 -0.359 6.899 1.00 0.00 C ATOM 413 O LYS A 28 -8.859 0.694 6.337 1.00 0.00 O ATOM 414 CB LYS A 28 -6.740 0.655 8.553 1.00 0.00 C ATOM 415 CG LYS A 28 -7.484 0.820 9.918 1.00 0.00 C ATOM 416 CD LYS A 28 -8.958 1.368 9.933 1.00 0.00 C ATOM 417 CE LYS A 28 -9.053 2.870 9.485 1.00 0.00 C ATOM 418 NZ LYS A 28 -9.309 2.980 8.011 1.00 0.00 N ATOM 0 H LYS A 28 -5.583 -1.738 6.845 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.363 -1.405 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.679 0.532 8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.847 1.591 8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.493 -0.155 10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.882 1.483 10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.575 0.757 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.368 1.267 10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.853 3.366 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.126 3.387 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.855 3.840 7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.916 2.147 7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.334 3.028 7.839 1.00 0.00 H new ATOM 432 N LYS A 29 -9.496 -1.322 6.984 1.00 0.00 N ATOM 433 CA LYS A 29 -10.885 -1.170 6.400 1.00 0.00 C ATOM 434 C LYS A 29 -11.726 0.031 6.973 1.00 0.00 C ATOM 435 O LYS A 29 -11.574 0.413 8.129 1.00 0.00 O ATOM 436 CB LYS A 29 -11.571 -2.587 6.545 1.00 0.00 C ATOM 437 CG LYS A 29 -12.956 -2.773 5.844 1.00 0.00 C ATOM 438 CD LYS A 29 -14.162 -2.669 6.786 1.00 0.00 C ATOM 439 CE LYS A 29 -15.486 -2.774 6.023 1.00 0.00 C ATOM 440 NZ LYS A 29 -16.657 -2.404 6.879 1.00 0.00 N ATOM 0 H LYS A 29 -9.331 -2.219 7.441 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.821 -0.879 5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.887 -3.338 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.697 -2.797 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.057 -2.022 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.975 -3.747 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.109 -3.460 7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.125 -1.721 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.454 -2.122 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.613 -3.792 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.538 -2.679 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.590 -2.899 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.658 -1.377 7.041 1.00 0.00 H new ATOM 454 N CYS A 30 -12.626 0.627 6.181 1.00 0.00 N ATOM 455 CA CYS A 30 -13.776 1.409 6.718 1.00 0.00 C ATOM 456 C CYS A 30 -15.162 0.952 6.088 1.00 0.00 C ATOM 457 O CYS A 30 -15.929 0.355 6.851 1.00 0.00 O ATOM 458 CB CYS A 30 -13.490 2.918 6.733 1.00 0.00 C ATOM 459 SG CYS A 30 -14.816 3.673 7.803 1.00 0.00 S ATOM 0 H CYS A 30 -12.590 0.590 5.162 1.00 0.00 H new ATOM 0 HA CYS A 30 -13.897 1.168 7.774 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.498 3.124 7.135 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.518 3.332 5.725 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.641 4.960 7.868 1.00 0.00 H new ATOM 465 N CYS A 31 -15.620 1.147 4.821 1.00 0.00 N ATOM 466 CA CYS A 31 -14.865 1.735 3.693 1.00 0.00 C ATOM 467 C CYS A 31 -14.268 0.659 2.676 1.00 0.00 C ATOM 468 O CYS A 31 -13.885 -0.451 3.091 1.00 0.00 O ATOM 469 CB CYS A 31 -15.769 2.837 3.099 1.00 0.00 C ATOM 470 SG CYS A 31 -17.164 2.078 2.206 1.00 0.00 S ATOM 0 H CYS A 31 -16.568 0.885 4.552 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.935 2.196 4.027 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.142 3.482 3.895 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.192 3.467 2.422 1.00 0.00 H new ATOM 0 HG CYS A 31 -17.922 3.011 1.711 1.00 0.00 H new ATOM 476 N TYR A 32 -14.092 1.020 1.386 1.00 0.00 N ATOM 477 CA TYR A 32 -13.582 0.070 0.356 1.00 0.00 C ATOM 478 C TYR A 32 -12.057 -0.284 0.485 1.00 0.00 C ATOM 479 O TYR A 32 -11.144 0.517 0.339 1.00 0.00 O ATOM 480 CB TYR A 32 -13.826 0.630 -1.076 1.00 0.00 C ATOM 481 CG TYR A 32 -13.209 -0.158 -2.237 1.00 0.00 C ATOM 482 CD1 TYR A 32 -13.693 -1.446 -2.490 1.00 0.00 C ATOM 483 CD2 TYR A 32 -12.007 0.254 -2.819 1.00 0.00 C ATOM 484 CE1 TYR A 32 -12.978 -2.314 -3.310 1.00 0.00 C ATOM 485 CE2 TYR A 32 -11.294 -0.617 -3.639 1.00 0.00 C ATOM 486 CZ TYR A 32 -11.779 -1.898 -3.884 1.00 0.00 C ATOM 487 OH TYR A 32 -11.075 -2.751 -4.687 1.00 0.00 O ATOM 0 H TYR A 32 -14.292 1.954 1.029 1.00 0.00 H new ATOM 0 HA TYR A 32 -14.144 -0.848 0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -14.902 0.690 -1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -13.441 1.649 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -14.624 -1.768 -2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.631 1.249 -2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.352 -3.309 -3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.364 -0.298 -4.085 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.226 -2.515 -5.626 1.00 0.00 H new ATOM 497 N HIS A 33 -11.806 -1.596 0.668 1.00 0.00 N ATOM 498 CA HIS A 33 -10.663 -2.273 0.038 1.00 0.00 C ATOM 499 C HIS A 33 -11.052 -3.777 -0.069 1.00 0.00 C ATOM 500 O HIS A 33 -11.135 -4.509 0.908 1.00 0.00 O ATOM 501 CB HIS A 33 -9.327 -2.117 0.783 1.00 0.00 C ATOM 502 CG HIS A 33 -8.175 -2.695 0.014 1.00 0.00 C ATOM 503 ND1 HIS A 33 -7.821 -4.041 -0.034 1.00 0.00 N ATOM 504 CD2 HIS A 33 -7.806 -2.030 -1.148 1.00 0.00 C ATOM 505 CE1 HIS A 33 -7.256 -4.086 -1.256 1.00 0.00 C ATOM 506 NE2 HIS A 33 -7.202 -2.936 -1.981 1.00 0.00 N ATOM 0 H HIS A 33 -12.382 -2.205 1.248 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.481 -1.809 -0.931 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.141 -1.060 0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.396 -2.608 1.754 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.952 -4.780 0.657 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.967 -0.983 -1.358 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.857 -5.009 -1.649 1.00 0.00 H new ATOM 515 N CYS A 34 -11.169 -4.245 -1.326 1.00 0.00 N ATOM 516 CA CYS A 34 -11.395 -5.691 -1.624 1.00 0.00 C ATOM 517 C CYS A 34 -10.118 -6.573 -1.374 1.00 0.00 C ATOM 518 O CYS A 34 -9.035 -6.264 -1.838 1.00 0.00 O ATOM 519 CB CYS A 34 -11.882 -5.791 -3.099 1.00 0.00 C ATOM 520 SG CYS A 34 -12.459 -7.533 -3.369 1.00 0.00 S ATOM 0 H CYS A 34 -11.113 -3.654 -2.155 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.148 -6.088 -0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.691 -5.084 -3.286 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.075 -5.542 -3.788 1.00 0.00 H new ATOM 0 HG CYS A 34 -12.880 -7.666 -4.592 1.00 0.00 H new ATOM 526 N GLN A 35 -10.285 -7.627 -0.545 1.00 0.00 N ATOM 527 CA GLN A 35 -9.307 -8.742 -0.260 1.00 0.00 C ATOM 528 C GLN A 35 -7.839 -8.388 0.178 1.00 0.00 C ATOM 529 O GLN A 35 -7.593 -8.227 1.361 1.00 0.00 O ATOM 530 CB GLN A 35 -9.412 -9.778 -1.423 1.00 0.00 C ATOM 531 CG GLN A 35 -8.861 -11.227 -1.179 1.00 0.00 C ATOM 532 CD GLN A 35 -9.628 -12.056 -0.093 1.00 0.00 C ATOM 533 OE1 GLN A 35 -9.841 -11.634 1.048 1.00 0.00 O ATOM 534 NE2 GLN A 35 -10.157 -13.172 -0.484 1.00 0.00 N ATOM 0 H GLN A 35 -11.150 -7.745 -0.018 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.624 -9.176 0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.463 -9.864 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.889 -9.364 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.893 -11.774 -2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.813 -11.156 -0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.979 -13.518 -1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.751 -13.705 0.151 1.00 0.00 H new ATOM 543 N MET A 36 -6.898 -8.176 -0.739 1.00 0.00 N ATOM 544 CA MET A 36 -5.411 -8.107 -0.497 1.00 0.00 C ATOM 545 C MET A 36 -4.956 -6.975 0.505 1.00 0.00 C ATOM 546 O MET A 36 -4.803 -5.838 0.068 1.00 0.00 O ATOM 547 CB MET A 36 -4.854 -9.547 -0.199 1.00 0.00 C ATOM 548 CG MET A 36 -4.834 -10.484 -1.422 1.00 0.00 C ATOM 549 SD MET A 36 -4.679 -12.163 -0.825 1.00 0.00 S ATOM 550 CE MET A 36 -4.914 -13.056 -2.404 1.00 0.00 C ATOM 0 H MET A 36 -7.134 -8.038 -1.722 1.00 0.00 H new ATOM 0 HA MET A 36 -4.935 -7.768 -1.417 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.841 -9.458 0.193 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.460 -10.003 0.584 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.747 -10.369 -2.006 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.002 -10.235 -2.080 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.849 -14.130 -2.228 1.00 0.00 H new ATOM 0 HE2 MET A 36 -5.894 -12.814 -2.816 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.139 -12.757 -3.110 1.00 0.00 H new ATOM 560 N CYS A 37 -4.652 -7.247 1.780 1.00 0.00 N ATOM 561 CA CYS A 37 -4.108 -6.232 2.745 1.00 0.00 C ATOM 562 C CYS A 37 -2.737 -5.580 2.317 1.00 0.00 C ATOM 563 O CYS A 37 -2.822 -4.431 1.858 1.00 0.00 O ATOM 564 CB CYS A 37 -4.068 -6.899 4.126 1.00 0.00 C ATOM 565 SG CYS A 37 -3.758 -5.698 5.477 1.00 0.00 S ATOM 0 H CYS A 37 -4.770 -8.173 2.191 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.770 -5.366 2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.014 -7.409 4.307 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.289 -7.661 4.136 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.738 -6.323 6.617 1.00 0.00 H new ATOM 571 N PHE A 38 -1.619 -6.284 2.448 1.00 0.00 N ATOM 572 CA PHE A 38 -0.328 -5.913 1.782 1.00 0.00 C ATOM 573 C PHE A 38 0.602 -7.176 1.649 1.00 0.00 C ATOM 574 O PHE A 38 1.070 -7.724 2.650 1.00 0.00 O ATOM 575 CB PHE A 38 0.426 -4.816 2.595 1.00 0.00 C ATOM 576 CG PHE A 38 0.008 -3.361 2.331 1.00 0.00 C ATOM 577 CD1 PHE A 38 0.117 -2.816 1.050 1.00 0.00 C ATOM 578 CD2 PHE A 38 -0.321 -2.530 3.408 1.00 0.00 C ATOM 579 CE1 PHE A 38 -0.107 -1.457 0.847 1.00 0.00 C ATOM 580 CE2 PHE A 38 -0.556 -1.175 3.203 1.00 0.00 C ATOM 581 CZ PHE A 38 -0.446 -0.638 1.923 1.00 0.00 C ATOM 0 H PHE A 38 -1.558 -7.131 3.013 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.567 -5.524 0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.290 -5.023 3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.492 -4.908 2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.376 -3.450 0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.393 -2.943 4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.018 -1.037 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.823 -0.540 4.035 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.624 0.415 1.763 1.00 0.00 H new ATOM 591 N ILE A 39 0.828 -7.641 0.426 1.00 0.00 N ATOM 592 CA ILE A 39 1.844 -8.697 0.140 1.00 0.00 C ATOM 593 C ILE A 39 3.162 -8.095 -0.472 1.00 0.00 C ATOM 594 O ILE A 39 3.131 -7.435 -1.520 1.00 0.00 O ATOM 595 CB ILE A 39 1.213 -9.939 -0.678 1.00 0.00 C ATOM 596 CG1 ILE A 39 0.063 -9.611 -1.723 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.657 -11.005 0.306 1.00 0.00 C ATOM 598 CD1 ILE A 39 0.512 -8.580 -2.828 1.00 0.00 C ATOM 0 H ILE A 39 0.328 -7.313 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 39 2.158 -9.130 1.089 1.00 0.00 H new ATOM 0 HB ILE A 39 2.059 -10.293 -1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.257 -10.535 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.801 -9.212 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.235 -11.836 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.464 -11.370 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.119 -10.557 0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.316 -8.396 -3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.806 -7.643 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.358 -8.987 -3.383 1.00 0.00 H new ATOM 610 N THR A 40 4.350 -8.294 0.184 1.00 0.00 N ATOM 611 CA THR A 40 5.601 -7.479 -0.080 1.00 0.00 C ATOM 612 C THR A 40 6.476 -8.024 -1.323 1.00 0.00 C ATOM 613 O THR A 40 7.456 -8.762 -1.169 1.00 0.00 O ATOM 614 CB THR A 40 6.530 -7.326 1.180 1.00 0.00 C ATOM 615 OG1 THR A 40 6.964 -8.615 1.643 1.00 0.00 O ATOM 616 CG2 THR A 40 5.907 -6.596 2.385 1.00 0.00 C ATOM 0 H THR A 40 4.475 -9.009 0.900 1.00 0.00 H new ATOM 0 HA THR A 40 5.212 -6.495 -0.340 1.00 0.00 H new ATOM 0 HB THR A 40 7.353 -6.708 0.820 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.316 -9.132 0.889 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.633 -6.547 3.196 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.623 -5.586 2.091 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.023 -7.138 2.722 1.00 0.00 H new ATOM 624 N LYS A 41 6.103 -7.591 -2.537 1.00 0.00 N ATOM 625 CA LYS A 41 6.884 -7.703 -3.822 1.00 0.00 C ATOM 626 C LYS A 41 7.653 -6.367 -4.158 1.00 0.00 C ATOM 627 O LYS A 41 7.038 -5.321 -4.439 1.00 0.00 O ATOM 628 CB LYS A 41 5.972 -8.267 -4.940 1.00 0.00 C ATOM 629 CG LYS A 41 4.424 -7.985 -4.979 1.00 0.00 C ATOM 630 CD LYS A 41 3.986 -6.566 -5.324 1.00 0.00 C ATOM 631 CE LYS A 41 2.483 -6.290 -5.045 1.00 0.00 C ATOM 632 NZ LYS A 41 2.172 -4.899 -5.414 1.00 0.00 N ATOM 0 H LYS A 41 5.206 -7.127 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 41 7.690 -8.428 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.380 -7.912 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.093 -9.350 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.975 -8.664 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.009 -8.240 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.588 -5.860 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.191 -6.378 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.862 -6.979 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.259 -6.459 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.450 -4.521 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.034 -4.321 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.812 -4.871 -6.389 1.00 0.00 H new ATOM 646 N GLY A 42 8.991 -6.412 -4.126 1.00 0.00 N ATOM 647 CA GLY A 42 9.838 -5.172 -4.325 1.00 0.00 C ATOM 648 C GLY A 42 10.141 -4.390 -3.031 1.00 0.00 C ATOM 649 O GLY A 42 9.418 -3.447 -2.692 1.00 0.00 O ATOM 0 H GLY A 42 9.527 -7.266 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.781 -5.462 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.330 -4.509 -5.025 1.00 0.00 H new ATOM 653 N LEU A 43 11.267 -4.664 -2.371 1.00 0.00 N ATOM 654 CA LEU A 43 11.562 -4.116 -0.991 1.00 0.00 C ATOM 655 C LEU A 43 12.445 -2.767 -1.067 1.00 0.00 C ATOM 656 O LEU A 43 13.651 -2.742 -0.712 1.00 0.00 O ATOM 657 CB LEU A 43 12.232 -5.241 -0.130 1.00 0.00 C ATOM 658 CG LEU A 43 11.524 -6.598 0.127 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.425 -7.531 0.972 1.00 0.00 C ATOM 660 CD2 LEU A 43 10.216 -6.493 0.927 1.00 0.00 C ATOM 0 H LEU A 43 12.006 -5.259 -2.746 1.00 0.00 H new ATOM 0 HA LEU A 43 10.632 -3.825 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.191 -5.468 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.447 -4.806 0.846 1.00 0.00 H new ATOM 0 HG LEU A 43 11.316 -6.976 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.911 -8.477 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.358 -7.715 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.641 -7.058 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.790 -7.487 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.421 -6.053 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.508 -5.864 0.387 1.00 0.00 H new ATOM 672 N GLY A 44 11.811 -1.691 -1.510 1.00 0.00 N ATOM 673 CA GLY A 44 12.424 -0.357 -1.677 1.00 0.00 C ATOM 674 C GLY A 44 12.610 0.472 -0.385 1.00 0.00 C ATOM 675 O GLY A 44 13.670 0.373 0.228 1.00 0.00 O ATOM 0 H GLY A 44 10.826 -1.710 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.399 -0.484 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.809 0.219 -2.369 1.00 0.00 H new ATOM 679 N ILE A 45 11.544 1.110 0.095 1.00 0.00 N ATOM 680 CA ILE A 45 11.452 1.678 1.493 1.00 0.00 C ATOM 681 C ILE A 45 10.062 1.307 2.159 1.00 0.00 C ATOM 682 O ILE A 45 10.140 0.918 3.330 1.00 0.00 O ATOM 683 CB ILE A 45 11.855 3.207 1.620 1.00 0.00 C ATOM 684 CG1 ILE A 45 13.315 3.469 1.165 1.00 0.00 C ATOM 685 CG2 ILE A 45 11.636 3.693 3.091 1.00 0.00 C ATOM 686 CD1 ILE A 45 13.862 4.869 1.155 1.00 0.00 C ATOM 0 H ILE A 45 10.700 1.263 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 45 12.229 1.188 2.080 1.00 0.00 H new ATOM 0 HB ILE A 45 11.210 3.778 0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.965 2.872 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.414 3.076 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.914 4.744 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.587 3.574 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.254 3.101 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.895 4.853 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.264 5.488 0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.824 5.282 2.163 1.00 0.00 H new ATOM 698 N SER A 46 8.884 1.531 1.558 1.00 0.00 N ATOM 699 CA SER A 46 7.559 1.214 2.197 1.00 0.00 C ATOM 700 C SER A 46 7.182 -0.273 2.449 1.00 0.00 C ATOM 701 O SER A 46 6.816 -0.640 3.582 1.00 0.00 O ATOM 702 CB SER A 46 6.458 2.014 1.494 1.00 0.00 C ATOM 703 OG SER A 46 6.358 1.829 0.089 1.00 0.00 O ATOM 0 H SER A 46 8.802 1.933 0.624 1.00 0.00 H new ATOM 0 HA SER A 46 7.675 1.535 3.232 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.501 1.752 1.945 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.623 3.073 1.691 1.00 0.00 H new ATOM 0 HG SER A 46 7.202 1.469 -0.254 1.00 0.00 H new ATOM 709 N TYR A 47 7.307 -1.157 1.435 1.00 0.00 N ATOM 710 CA TYR A 47 7.444 -2.631 1.719 1.00 0.00 C ATOM 711 C TYR A 47 8.817 -3.022 2.377 1.00 0.00 C ATOM 712 O TYR A 47 9.870 -2.679 1.826 1.00 0.00 O ATOM 713 CB TYR A 47 7.233 -3.539 0.473 1.00 0.00 C ATOM 714 CG TYR A 47 5.836 -3.528 -0.159 1.00 0.00 C ATOM 715 CD1 TYR A 47 4.691 -3.547 0.643 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.726 -3.804 -1.525 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.449 -3.832 0.080 1.00 0.00 C ATOM 718 CE2 TYR A 47 4.484 -4.089 -2.085 1.00 0.00 C ATOM 719 CZ TYR A 47 3.347 -4.103 -1.281 1.00 0.00 C ATOM 720 OH TYR A 47 2.127 -4.380 -1.830 1.00 0.00 O ATOM 0 H TYR A 47 7.318 -0.906 0.446 1.00 0.00 H new ATOM 0 HA TYR A 47 6.638 -2.812 2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.954 -3.243 -0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.471 -4.565 0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.769 -3.341 1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.608 -3.796 -2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.565 -3.843 0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.402 -4.299 -3.141 1.00 0.00 H new ATOM 0 HH TYR A 47 1.810 -3.601 -2.334 1.00 0.00 H new ATOM 730 N GLY A 48 8.902 -3.735 3.499 1.00 0.00 N ATOM 731 CA GLY A 48 10.213 -3.862 4.148 1.00 0.00 C ATOM 732 C GLY A 48 10.246 -4.710 5.399 1.00 0.00 C ATOM 733 O GLY A 48 9.539 -4.468 6.382 1.00 0.00 O ATOM 0 H GLY A 48 8.127 -4.211 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.915 -4.282 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.572 -2.864 4.398 1.00 0.00 H new ATOM 737 N ARG A 49 11.194 -5.667 5.473 1.00 0.00 N ATOM 738 CA ARG A 49 11.450 -6.465 6.721 1.00 0.00 C ATOM 739 C ARG A 49 12.320 -5.652 7.791 1.00 0.00 C ATOM 740 O ARG A 49 11.774 -5.256 8.853 1.00 0.00 O ATOM 741 CB ARG A 49 12.033 -7.840 6.291 1.00 0.00 C ATOM 742 CG ARG A 49 12.338 -8.832 7.436 1.00 0.00 C ATOM 743 CD ARG A 49 12.856 -10.147 6.811 1.00 0.00 C ATOM 744 NE ARG A 49 13.107 -11.149 7.873 1.00 0.00 N ATOM 745 CZ ARG A 49 13.416 -12.424 7.649 1.00 0.00 C ATOM 746 NH1 ARG A 49 13.733 -12.899 6.453 1.00 0.00 N ATOM 747 NH2 ARG A 49 13.416 -13.249 8.636 1.00 0.00 N ATOM 0 H ARG A 49 11.801 -5.916 4.692 1.00 0.00 H new ATOM 0 HA ARG A 49 10.524 -6.656 7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.330 -8.312 5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.953 -7.664 5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.083 -8.414 8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.441 -9.019 8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.126 -10.534 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.774 -9.958 6.254 1.00 0.00 H new ATOM 0 HE ARG A 49 13.038 -10.840 8.843 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.749 -12.277 5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.961 -13.887 6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.181 -12.923 9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.651 -14.230 8.481 1.00 0.00 H new ATOM 761 N LYS A 50 13.596 -5.289 7.510 1.00 0.00 N ATOM 762 CA LYS A 50 14.235 -4.104 8.162 1.00 0.00 C ATOM 763 C LYS A 50 14.267 -2.829 7.220 1.00 0.00 C ATOM 764 O LYS A 50 15.329 -2.260 6.914 1.00 0.00 O ATOM 765 CB LYS A 50 15.579 -4.605 8.788 1.00 0.00 C ATOM 766 CG LYS A 50 16.324 -3.618 9.684 1.00 0.00 C ATOM 767 CD LYS A 50 17.590 -4.265 10.316 1.00 0.00 C ATOM 768 CE LYS A 50 18.439 -3.230 11.087 1.00 0.00 C ATOM 769 NZ LYS A 50 19.424 -3.936 11.951 1.00 0.00 N ATOM 0 H LYS A 50 14.198 -5.784 6.851 1.00 0.00 H new ATOM 0 HA LYS A 50 13.645 -3.701 8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.370 -5.503 9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.245 -4.898 7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.613 -2.743 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.659 -3.269 10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.290 -5.065 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.195 -4.720 9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.958 -2.576 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.794 -2.597 11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.995 -3.238 12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.919 -4.542 12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.047 -4.522 11.360 1.00 0.00 H new ATOM 783 N LYS A 51 13.090 -2.349 6.803 1.00 0.00 N ATOM 784 CA LYS A 51 12.941 -0.935 6.269 1.00 0.00 C ATOM 785 C LYS A 51 11.544 -0.331 6.740 1.00 0.00 C ATOM 786 O LYS A 51 11.413 -0.164 7.940 1.00 0.00 O ATOM 787 CB LYS A 51 13.268 -0.797 4.782 1.00 0.00 C ATOM 788 CG LYS A 51 14.663 -1.230 4.269 1.00 0.00 C ATOM 789 CD LYS A 51 14.648 -1.035 2.765 1.00 0.00 C ATOM 790 CE LYS A 51 15.932 -1.535 2.057 1.00 0.00 C ATOM 791 NZ LYS A 51 15.747 -1.420 0.613 1.00 0.00 N ATOM 0 H LYS A 51 12.223 -2.886 6.813 1.00 0.00 H new ATOM 0 HA LYS A 51 13.712 -0.305 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.523 -1.369 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.130 0.250 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.449 -0.632 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.864 -2.271 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.787 -1.559 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.513 0.024 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.792 -0.946 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.135 -2.570 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.675 -1.386 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.214 -2.242 0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.220 -0.549 0.399 1.00 0.00 H new ATOM 805 N ARG A 52 10.557 -0.027 5.865 1.00 0.00 N ATOM 806 CA ARG A 52 9.088 0.116 6.245 1.00 0.00 C ATOM 807 C ARG A 52 8.687 1.544 6.873 1.00 0.00 C ATOM 808 O ARG A 52 8.529 1.645 8.091 1.00 0.00 O ATOM 809 CB ARG A 52 8.551 -1.151 7.006 1.00 0.00 C ATOM 810 CG ARG A 52 7.016 -1.233 7.189 1.00 0.00 C ATOM 811 CD ARG A 52 6.591 -2.590 7.846 1.00 0.00 C ATOM 812 NE ARG A 52 6.716 -2.541 9.333 1.00 0.00 N ATOM 813 CZ ARG A 52 7.783 -2.944 10.048 1.00 0.00 C ATOM 814 NH1 ARG A 52 8.745 -3.641 9.532 1.00 0.00 N ATOM 815 NH2 ARG A 52 7.891 -2.646 11.284 1.00 0.00 N ATOM 0 H ARG A 52 10.732 0.130 4.872 1.00 0.00 H new ATOM 0 HA ARG A 52 8.529 0.135 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.881 -2.040 6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.017 -1.183 7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.677 -0.404 7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.526 -1.126 6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.561 -2.820 7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.212 -3.395 7.454 1.00 0.00 H new ATOM 0 HE ARG A 52 5.922 -2.169 9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.712 -3.905 8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.536 -3.926 10.110 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.164 -2.096 11.741 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.705 -2.958 11.815 1.00 0.00 H new ATOM 829 N ARG A 53 8.476 2.569 6.040 1.00 0.00 N ATOM 830 CA ARG A 53 7.981 3.913 6.451 1.00 0.00 C ATOM 831 C ARG A 53 6.709 4.370 5.669 1.00 0.00 C ATOM 832 O ARG A 53 6.352 3.798 4.628 1.00 0.00 O ATOM 833 CB ARG A 53 9.153 4.937 6.442 1.00 0.00 C ATOM 834 CG ARG A 53 8.998 6.199 7.326 1.00 0.00 C ATOM 835 CD ARG A 53 10.318 6.922 7.663 1.00 0.00 C ATOM 836 NE ARG A 53 10.839 7.739 6.497 1.00 0.00 N ATOM 837 CZ ARG A 53 11.713 8.722 6.603 1.00 0.00 C ATOM 838 NH1 ARG A 53 12.396 8.956 7.678 1.00 0.00 N ATOM 839 NH2 ARG A 53 11.895 9.558 5.639 1.00 0.00 N ATOM 0 H ARG A 53 8.645 2.499 5.036 1.00 0.00 H new ATOM 0 HA ARG A 53 7.625 3.849 7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.059 4.416 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.309 5.262 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.336 6.901 6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.508 5.914 8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.163 7.576 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.069 6.187 7.953 1.00 0.00 H new ATOM 0 HE ARG A 53 10.490 7.513 5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.271 8.365 8.500 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.059 9.731 7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.359 9.466 4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.575 10.312 5.739 1.00 0.00 H new ATOM 853 N GLN A 54 5.975 5.374 6.184 1.00 0.00 N ATOM 854 CA GLN A 54 4.605 5.813 5.718 1.00 0.00 C ATOM 855 C GLN A 54 4.570 7.389 5.660 1.00 0.00 C ATOM 856 O GLN A 54 4.590 8.034 6.712 1.00 0.00 O ATOM 857 CB GLN A 54 3.649 5.209 6.792 1.00 0.00 C ATOM 858 CG GLN A 54 2.164 5.375 6.395 1.00 0.00 C ATOM 859 CD GLN A 54 1.158 5.001 7.516 1.00 0.00 C ATOM 860 OE1 GLN A 54 1.298 5.424 8.671 1.00 0.00 O ATOM 861 NE2 GLN A 54 0.132 4.235 7.337 1.00 0.00 N ATOM 0 H GLN A 54 6.314 5.935 6.965 1.00 0.00 H new ATOM 0 HA GLN A 54 4.323 5.479 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.874 4.151 6.925 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.826 5.696 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.993 6.410 6.099 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.962 4.756 5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.057 3.843 6.414 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.488 4.023 8.118 1.00 0.00 H new ATOM 870 N ARG A 55 4.461 7.993 4.460 1.00 0.00 N ATOM 871 CA ARG A 55 4.440 9.469 4.257 1.00 0.00 C ATOM 872 C ARG A 55 3.168 9.870 3.431 1.00 0.00 C ATOM 873 O ARG A 55 2.906 9.252 2.399 1.00 0.00 O ATOM 874 CB ARG A 55 5.766 9.745 3.545 1.00 0.00 C ATOM 875 CG ARG A 55 6.134 11.246 3.422 1.00 0.00 C ATOM 876 CD ARG A 55 7.478 11.390 2.707 1.00 0.00 C ATOM 877 NE ARG A 55 7.829 12.824 2.506 1.00 0.00 N ATOM 878 CZ ARG A 55 8.715 13.282 1.600 1.00 0.00 C ATOM 879 NH1 ARG A 55 9.608 12.565 1.022 1.00 0.00 N ATOM 880 NH2 ARG A 55 8.713 14.529 1.289 1.00 0.00 N ATOM 0 H ARG A 55 4.384 7.469 3.588 1.00 0.00 H new ATOM 0 HA ARG A 55 4.366 10.060 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.564 9.232 4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.723 9.312 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.358 11.776 2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.187 11.700 4.412 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.258 10.900 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.436 10.884 1.742 1.00 0.00 H new ATOM 0 HE ARG A 55 7.363 13.511 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.683 11.571 1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.243 12.989 0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.044 15.163 1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.380 14.885 0.604 1.00 0.00 H new ATOM 894 N ARG A 56 2.492 10.960 3.825 1.00 0.00 N ATOM 895 CA ARG A 56 1.356 11.513 3.062 1.00 0.00 C ATOM 896 C ARG A 56 1.816 12.735 2.140 1.00 0.00 C ATOM 897 O ARG A 56 2.644 13.509 2.673 1.00 0.00 O ATOM 898 CB ARG A 56 0.244 12.046 4.090 1.00 0.00 C ATOM 899 CG ARG A 56 -1.174 12.386 3.537 1.00 0.00 C ATOM 900 CD ARG A 56 -2.023 13.256 4.469 1.00 0.00 C ATOM 901 NE ARG A 56 -3.309 13.494 3.789 1.00 0.00 N ATOM 902 CZ ARG A 56 -3.576 14.474 2.925 1.00 0.00 C ATOM 903 NH1 ARG A 56 -2.721 15.381 2.574 1.00 0.00 N ATOM 904 NH2 ARG A 56 -4.751 14.471 2.436 1.00 0.00 N ATOM 0 H ARG A 56 2.713 11.481 4.674 1.00 0.00 H new ATOM 0 HA ARG A 56 0.957 10.723 2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.125 11.294 4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.637 12.942 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.065 12.898 2.581 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.707 11.456 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.180 12.757 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.519 14.199 4.681 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.068 12.846 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.779 15.372 2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.990 16.104 1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.416 13.749 2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.027 15.191 1.768 1.00 0.00 H new ATOM 918 N ARG A 57 1.143 12.949 0.975 1.00 0.00 N ATOM 919 CA ARG A 57 1.237 14.261 0.239 1.00 0.00 C ATOM 920 C ARG A 57 -0.089 14.697 -0.466 1.00 0.00 C ATOM 921 O ARG A 57 -0.675 15.660 0.076 1.00 0.00 O ATOM 922 CB ARG A 57 2.530 14.242 -0.619 1.00 0.00 C ATOM 923 CG ARG A 57 3.025 15.588 -1.186 1.00 0.00 C ATOM 924 CD ARG A 57 2.133 16.298 -2.264 1.00 0.00 C ATOM 925 NE ARG A 57 3.056 17.166 -3.027 1.00 0.00 N ATOM 926 CZ ARG A 57 2.763 18.187 -3.794 1.00 0.00 C ATOM 927 NH1 ARG A 57 1.644 18.827 -3.771 1.00 0.00 N ATOM 928 NH2 ARG A 57 3.680 18.581 -4.573 1.00 0.00 N ATOM 0 H ARG A 57 0.543 12.256 0.528 1.00 0.00 H new ATOM 0 HA ARG A 57 1.342 15.086 0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.330 13.817 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.369 13.563 -1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.154 16.277 -0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.011 15.426 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.650 15.570 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.341 16.882 -1.796 1.00 0.00 H new ATOM 0 HE ARG A 57 4.048 16.941 -2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.909 18.547 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.493 19.614 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.584 18.108 -4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.515 19.372 -5.196 1.00 0.00 H new ATOM 942 N PRO A 58 -0.581 14.149 -1.630 1.00 0.00 N ATOM 943 CA PRO A 58 -1.816 14.629 -2.297 1.00 0.00 C ATOM 944 C PRO A 58 -3.203 14.472 -1.549 1.00 0.00 C ATOM 945 O PRO A 58 -3.224 13.941 -0.406 1.00 0.00 O ATOM 946 CB PRO A 58 -1.770 13.909 -3.645 1.00 0.00 C ATOM 947 CG PRO A 58 -0.942 12.604 -3.424 1.00 0.00 C ATOM 948 CD PRO A 58 0.100 13.072 -2.409 1.00 0.00 C ATOM 0 HA PRO A 58 -1.800 15.718 -2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.776 13.676 -3.994 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.307 14.538 -4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.555 11.790 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.484 12.247 -4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.415 12.254 -1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.994 13.448 -2.906 1.00 0.00 H new ATOM 956 N PRO A 59 -4.381 14.926 -2.086 1.00 0.00 N ATOM 957 CA PRO A 59 -5.656 14.848 -1.363 1.00 0.00 C ATOM 958 C PRO A 59 -6.217 13.504 -0.752 1.00 0.00 C ATOM 959 O PRO A 59 -6.507 13.529 0.444 1.00 0.00 O ATOM 960 CB PRO A 59 -6.649 15.635 -2.225 1.00 0.00 C ATOM 961 CG PRO A 59 -5.744 16.597 -3.011 1.00 0.00 C ATOM 962 CD PRO A 59 -4.486 15.797 -3.281 1.00 0.00 C ATOM 0 HA PRO A 59 -5.457 15.268 -0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.214 14.980 -2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.375 16.173 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.217 16.918 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.527 17.497 -2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.567 15.215 -4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.613 16.441 -3.389 1.00 0.00 H new ATOM 970 N GLN A 60 -6.566 12.327 -1.276 1.00 0.00 N ATOM 971 CA GLN A 60 -6.445 11.891 -2.711 1.00 0.00 C ATOM 972 C GLN A 60 -7.530 10.812 -2.994 1.00 0.00 C ATOM 973 O GLN A 60 -7.988 10.020 -2.168 1.00 0.00 O ATOM 974 CB GLN A 60 -4.978 11.345 -2.914 1.00 0.00 C ATOM 975 CG GLN A 60 -4.492 10.982 -4.345 1.00 0.00 C ATOM 976 CD GLN A 60 -4.500 12.063 -5.420 1.00 0.00 C ATOM 977 OE1 GLN A 60 -5.002 13.187 -5.335 1.00 0.00 O ATOM 978 NE2 GLN A 60 -3.984 11.752 -6.588 1.00 0.00 N ATOM 0 H GLN A 60 -6.967 11.592 -0.693 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.611 12.709 -3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.292 12.093 -2.515 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.872 10.453 -2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.472 10.607 -4.262 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.107 10.156 -4.703 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.553 10.838 -6.728 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.015 12.424 -7.354 1.00 0.00 H new ATOM 987 N GLY A 61 -7.827 10.647 -4.289 1.00 0.00 N ATOM 988 CA GLY A 61 -8.349 9.301 -4.803 1.00 0.00 C ATOM 989 C GLY A 61 -7.332 8.115 -4.810 1.00 0.00 C ATOM 990 O GLY A 61 -7.318 7.269 -3.898 1.00 0.00 O ATOM 0 H GLY A 61 -7.733 11.372 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.205 9.012 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.715 9.443 -5.820 1.00 0.00 H new ATOM 994 N ASN A 62 -6.524 8.121 -5.881 1.00 0.00 N ATOM 995 CA ASN A 62 -5.628 6.994 -6.271 1.00 0.00 C ATOM 996 C ASN A 62 -4.676 6.525 -5.132 1.00 0.00 C ATOM 997 O ASN A 62 -4.735 5.350 -4.812 1.00 0.00 O ATOM 998 CB ASN A 62 -4.861 7.272 -7.616 1.00 0.00 C ATOM 999 CG ASN A 62 -5.632 7.977 -8.722 1.00 0.00 C ATOM 1000 OD1 ASN A 62 -5.642 9.186 -8.817 1.00 0.00 O ATOM 1001 ND2 ASN A 62 -6.324 7.260 -9.569 1.00 0.00 N ATOM 0 H ASN A 62 -6.465 8.916 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.294 6.151 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.979 7.870 -7.385 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.506 6.318 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.866 7.718 -10.302 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.322 6.243 -9.497 1.00 0.00 H new ATOM 1008 N GLN A 63 -3.835 7.369 -4.501 1.00 0.00 N ATOM 1009 CA GLN A 63 -3.008 6.950 -3.312 1.00 0.00 C ATOM 1010 C GLN A 63 -3.856 6.495 -2.064 1.00 0.00 C ATOM 1011 O GLN A 63 -3.256 6.095 -1.083 1.00 0.00 O ATOM 1012 CB GLN A 63 -2.095 8.169 -3.039 1.00 0.00 C ATOM 1013 CG GLN A 63 -0.821 7.799 -2.211 1.00 0.00 C ATOM 1014 CD GLN A 63 0.163 8.966 -2.042 1.00 0.00 C ATOM 1015 OE1 GLN A 63 0.180 9.673 -1.061 1.00 0.00 O ATOM 1016 NE2 GLN A 63 1.048 9.110 -2.968 1.00 0.00 N ATOM 0 H GLN A 63 -3.699 8.341 -4.779 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.432 6.048 -3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.790 8.609 -3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.663 8.930 -2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.128 7.448 -1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.308 6.970 -2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.026 8.509 -3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.770 9.825 -2.877 1.00 0.00 H new ATOM 1025 N ALA A 64 -5.216 6.413 -2.027 1.00 0.00 N ATOM 1026 CA ALA A 64 -5.975 5.581 -1.038 1.00 0.00 C ATOM 1027 C ALA A 64 -6.540 4.189 -1.484 1.00 0.00 C ATOM 1028 O ALA A 64 -6.557 3.248 -0.674 1.00 0.00 O ATOM 1029 CB ALA A 64 -7.071 6.510 -0.525 1.00 0.00 C ATOM 0 H ALA A 64 -5.818 6.918 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.266 5.239 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.681 5.983 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.618 7.385 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.699 6.827 -1.358 1.00 0.00 H new ATOM 1035 N HIS A 65 -6.976 4.024 -2.746 1.00 0.00 N ATOM 1036 CA HIS A 65 -7.403 2.721 -3.381 1.00 0.00 C ATOM 1037 C HIS A 65 -6.202 1.753 -3.886 1.00 0.00 C ATOM 1038 O HIS A 65 -5.968 0.626 -3.509 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 -7.051 4.810 -3.392 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.895 2.135 -2.604 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.938 3.904 -5.145 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.416 2.222 -5.258 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 -5.406 2.344 -4.776 1.00 0.00 N ATOM 1054 CA GLN A 66 -4.389 1.709 -5.648 1.00 0.00 C ATOM 1055 C GLN A 66 -3.166 1.007 -5.031 1.00 0.00 C ATOM 1056 O GLN A 66 -2.728 1.324 -3.944 1.00 0.00 O ATOM 1057 CB GLN A 66 -3.997 2.905 -6.569 1.00 0.00 C ATOM 1058 CG GLN A 66 -3.104 2.709 -7.824 1.00 0.00 C ATOM 1059 CD GLN A 66 -2.793 4.050 -8.576 1.00 0.00 C ATOM 1060 OE1 GLN A 66 -3.548 4.583 -9.395 1.00 0.00 O ATOM 1061 NE2 GLN A 66 -1.699 4.654 -8.240 1.00 0.00 N ATOM 0 H GLN A 66 -5.449 3.352 -4.926 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.818 0.827 -6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.927 3.359 -6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.497 3.640 -5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.166 2.241 -7.525 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.598 2.021 -8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.066 4.225 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.469 5.559 -8.651 1.00 0.00 H new ATOM 1070 N ASP A 67 -2.648 0.033 -5.807 1.00 0.00 N ATOM 1071 CA ASP A 67 -1.260 -0.467 -5.641 1.00 0.00 C ATOM 1072 C ASP A 67 -0.246 0.102 -6.708 1.00 0.00 C ATOM 1073 O ASP A 67 0.768 0.720 -6.311 1.00 0.00 O ATOM 1074 CB ASP A 67 -1.263 -2.040 -5.603 1.00 0.00 C ATOM 1075 CG ASP A 67 -0.775 -2.721 -4.300 1.00 0.00 C ATOM 1076 OD1 ASP A 67 -1.051 -2.181 -3.205 1.00 0.00 O ATOM 1077 OD2 ASP A 67 -0.117 -3.787 -4.370 1.00 0.00 O ATOM 0 H ASP A 67 -3.167 -0.425 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.892 -0.089 -4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.280 -2.380 -5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.642 -2.398 -6.424 1.00 0.00 H new ATOM 1082 N PRO A 68 -0.372 -0.147 -8.053 1.00 0.00 N ATOM 1083 CA PRO A 68 0.749 0.184 -9.011 1.00 0.00 C ATOM 1084 C PRO A 68 0.534 1.552 -9.773 1.00 0.00 C ATOM 1085 O PRO A 68 0.566 2.621 -9.154 1.00 0.00 O ATOM 1086 CB PRO A 68 0.670 -1.106 -9.831 1.00 0.00 C ATOM 1087 CG PRO A 68 -0.816 -1.451 -9.953 1.00 0.00 C ATOM 1088 CD PRO A 68 -1.498 -0.814 -8.713 1.00 0.00 C ATOM 0 HA PRO A 68 1.738 0.393 -8.603 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.119 -0.969 -10.815 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.217 -1.912 -9.341 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.235 -1.054 -10.878 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.967 -2.530 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.281 -0.110 -8.995 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.960 -1.564 -8.072 1.00 0.00 H new ATOM 1096 N LEU A 69 0.276 1.505 -11.090 1.00 0.00 N ATOM 1097 CA LEU A 69 -0.117 2.673 -11.904 1.00 0.00 C ATOM 1098 C LEU A 69 -1.105 2.416 -13.093 1.00 0.00 C ATOM 1099 O LEU A 69 -2.017 3.218 -13.257 1.00 0.00 O ATOM 1100 CB LEU A 69 1.193 3.323 -12.432 1.00 0.00 C ATOM 1101 CG LEU A 69 2.055 4.265 -11.505 1.00 0.00 C ATOM 1102 CD1 LEU A 69 3.420 4.691 -12.098 1.00 0.00 C ATOM 1103 CD2 LEU A 69 1.315 5.587 -11.301 1.00 0.00 C ATOM 0 H LEU A 69 0.335 0.642 -11.630 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.694 3.321 -11.244 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.844 2.512 -12.760 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.930 3.899 -13.319 1.00 0.00 H new ATOM 0 HG LEU A 69 2.216 3.678 -10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.939 5.336 -11.389 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.025 3.805 -12.293 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.259 5.232 -13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.908 6.241 -10.661 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.158 6.069 -12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.351 5.395 -10.830 1.00 0.00 H new ATOM 1115 N PRO A 70 -0.874 1.452 -14.083 1.00 0.00 N ATOM 1116 CA PRO A 70 -1.676 1.303 -15.366 1.00 0.00 C ATOM 1117 C PRO A 70 -3.091 0.698 -15.074 1.00 0.00 C ATOM 1118 O PRO A 70 -3.295 -0.075 -14.120 1.00 0.00 O ATOM 1119 CB PRO A 70 -0.784 0.361 -16.229 1.00 0.00 C ATOM 1120 CG PRO A 70 -0.089 -0.516 -15.222 1.00 0.00 C ATOM 1121 CD PRO A 70 0.192 0.438 -14.044 1.00 0.00 C ATOM 0 HA PRO A 70 -1.884 2.247 -15.870 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.383 -0.228 -16.924 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.068 0.927 -16.825 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.717 -1.354 -14.919 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.832 -0.938 -15.625 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.185 -0.100 -13.096 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.174 0.900 -14.141 1.00 0.00 H new ATOM 1129 N GLU A 71 -4.054 0.986 -15.960 1.00 0.00 N ATOM 1130 CA GLU A 71 -5.350 0.304 -16.046 1.00 0.00 C ATOM 1131 C GLU A 71 -5.370 -1.125 -16.699 1.00 0.00 C ATOM 1132 O GLU A 71 -6.162 -1.416 -17.595 1.00 0.00 O ATOM 1133 CB GLU A 71 -6.260 1.397 -16.719 1.00 0.00 C ATOM 1134 CG GLU A 71 -5.992 1.918 -18.167 1.00 0.00 C ATOM 1135 CD GLU A 71 -5.011 3.098 -18.252 1.00 0.00 C ATOM 1136 OE1 GLU A 71 -3.797 2.988 -17.999 1.00 0.00 O ATOM 1137 OE2 GLU A 71 -5.462 4.222 -18.459 1.00 0.00 O ATOM 0 H GLU A 71 -3.948 1.723 -16.657 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.715 -0.008 -15.067 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.278 1.009 -16.708 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.243 2.268 -16.063 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.604 1.096 -18.769 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.941 2.219 -18.612 1.00 0.00 H new ATOM 1144 N GLN A 72 -4.487 -2.024 -16.223 1.00 0.00 N ATOM 1145 CA GLN A 72 -4.264 -3.391 -16.736 1.00 0.00 C ATOM 1146 C GLN A 72 -4.302 -4.336 -15.472 1.00 0.00 C ATOM 1147 O GLN A 72 -3.236 -4.694 -14.949 1.00 0.00 O ATOM 1148 CB GLN A 72 -2.916 -3.471 -17.528 1.00 0.00 C ATOM 1149 CG GLN A 72 -2.996 -2.681 -18.867 1.00 0.00 C ATOM 1150 CD GLN A 72 -1.623 -2.404 -19.544 1.00 0.00 C ATOM 1151 OE1 GLN A 72 -0.546 -2.951 -19.282 1.00 0.00 O ATOM 1152 NE2 GLN A 72 -1.646 -1.555 -20.555 1.00 0.00 N ATOM 0 H GLN A 72 -3.880 -1.807 -15.432 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.028 -3.698 -17.451 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.108 -3.071 -16.915 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.674 -4.514 -17.733 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.623 -3.237 -19.564 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.493 -1.729 -18.682 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.515 -1.082 -20.804 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.795 -1.372 -21.087 1.00 0.00 H new ATOM 1161 N PRO A 73 -5.512 -4.835 -15.026 1.00 0.00 N ATOM 1162 CA PRO A 73 -5.664 -5.726 -13.812 1.00 0.00 C ATOM 1163 C PRO A 73 -5.060 -7.181 -13.799 1.00 0.00 C ATOM 1164 O PRO A 73 -5.705 -8.210 -13.982 1.00 0.00 O ATOM 1165 CB PRO A 73 -7.193 -5.708 -13.542 1.00 0.00 C ATOM 1166 CG PRO A 73 -7.787 -5.439 -14.914 1.00 0.00 C ATOM 1167 CD PRO A 73 -6.799 -4.512 -15.639 1.00 0.00 C ATOM 0 HA PRO A 73 -5.029 -5.316 -13.026 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.540 -6.656 -13.132 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.466 -4.932 -12.826 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.925 -6.368 -15.467 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.768 -4.971 -14.828 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.789 -4.698 -16.713 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.058 -3.462 -15.499 1.00 0.00 H new ATOM 1175 N SER A 74 -3.735 -7.276 -13.520 1.00 0.00 N ATOM 1176 CA SER A 74 -2.937 -8.581 -13.505 1.00 0.00 C ATOM 1177 C SER A 74 -1.828 -8.534 -12.409 1.00 0.00 C ATOM 1178 O SER A 74 -2.013 -7.899 -11.358 1.00 0.00 O ATOM 1179 CB SER A 74 -2.574 -8.835 -14.987 1.00 0.00 C ATOM 1180 OG SER A 74 -1.714 -9.958 -15.212 1.00 0.00 O ATOM 0 H SER A 74 -3.166 -6.460 -13.295 1.00 0.00 H new ATOM 0 HA SER A 74 -3.465 -9.476 -13.175 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.495 -8.982 -15.552 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.094 -7.942 -15.387 1.00 0.00 H new ATOM 0 HG SER A 74 -1.537 -10.047 -16.172 1.00 0.00 H new ATOM 1186 N SER A 75 -0.650 -9.182 -12.624 1.00 0.00 N ATOM 1187 CA SER A 75 0.383 -9.329 -11.542 1.00 0.00 C ATOM 1188 C SER A 75 1.699 -8.515 -11.793 1.00 0.00 C ATOM 1189 O SER A 75 2.261 -8.514 -12.885 1.00 0.00 O ATOM 1190 CB SER A 75 0.674 -10.862 -11.383 1.00 0.00 C ATOM 1191 OG SER A 75 1.306 -11.424 -12.501 1.00 0.00 O ATOM 0 H SER A 75 -0.389 -9.605 -13.515 1.00 0.00 H new ATOM 0 HA SER A 75 -0.016 -8.903 -10.622 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.300 -11.017 -10.504 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.264 -11.386 -11.203 1.00 0.00 H new ATOM 0 HG SER A 75 1.463 -12.378 -12.343 1.00 0.00 H new ATOM 1197 N GLN A 76 2.168 -7.810 -10.753 1.00 0.00 N ATOM 1198 CA GLN A 76 3.538 -7.199 -10.676 1.00 0.00 C ATOM 1199 C GLN A 76 3.722 -5.881 -11.540 1.00 0.00 C ATOM 1200 O GLN A 76 4.030 -5.880 -12.739 1.00 0.00 O ATOM 1201 CB GLN A 76 4.651 -8.278 -10.828 1.00 0.00 C ATOM 1202 CG GLN A 76 6.065 -7.895 -10.323 1.00 0.00 C ATOM 1203 CD GLN A 76 7.006 -9.081 -10.223 1.00 0.00 C ATOM 1204 OE1 GLN A 76 7.384 -9.503 -9.135 1.00 0.00 O ATOM 1205 NE2 GLN A 76 7.507 -9.616 -11.304 1.00 0.00 N ATOM 0 H GLN A 76 1.609 -7.635 -9.918 1.00 0.00 H new ATOM 0 HA GLN A 76 3.657 -6.807 -9.666 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.331 -9.174 -10.296 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.726 -8.543 -11.883 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.496 -7.154 -10.996 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.979 -7.424 -9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.210 -9.284 -12.222 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.195 -10.366 -11.230 1.00 0.00 H new ATOM 1214 N HIS A 77 3.271 -4.766 -10.919 1.00 0.00 N ATOM 1215 CA HIS A 77 2.992 -3.469 -11.634 1.00 0.00 C ATOM 1216 C HIS A 77 1.857 -3.435 -12.768 1.00 0.00 C ATOM 1217 O HIS A 77 2.012 -2.869 -13.849 1.00 0.00 O ATOM 1218 CB HIS A 77 4.277 -2.794 -12.143 1.00 0.00 C ATOM 1219 CG HIS A 77 4.096 -1.321 -12.369 1.00 0.00 C ATOM 1220 ND1 HIS A 77 3.903 -0.363 -11.377 1.00 0.00 N ATOM 1221 CD2 HIS A 77 3.924 -0.784 -13.637 1.00 0.00 C ATOM 1222 CE1 HIS A 77 3.627 0.709 -12.145 1.00 0.00 C ATOM 1223 NE2 HIS A 77 3.615 0.545 -13.495 1.00 0.00 N ATOM 0 H HIS A 77 3.087 -4.725 -9.917 1.00 0.00 H new ATOM 0 HA HIS A 77 2.542 -2.894 -10.825 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.078 -2.953 -11.421 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.589 -3.267 -13.074 1.00 0.00 H new ATOM 0 HD1 HIS A 77 3.955 -0.448 -10.362 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.017 -1.318 -14.571 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.421 1.672 -11.701 1.00 0.00 H new ATOM 1232 N ARG A 78 0.700 -3.989 -12.398 1.00 0.00 N ATOM 1233 CA ARG A 78 -0.481 -4.201 -13.266 1.00 0.00 C ATOM 1234 C ARG A 78 -1.766 -3.866 -12.435 1.00 0.00 C ATOM 1235 O ARG A 78 -2.290 -2.778 -12.551 1.00 0.00 O ATOM 1236 CB ARG A 78 -0.432 -5.682 -13.820 1.00 0.00 C ATOM 1237 CG ARG A 78 0.675 -6.119 -14.803 1.00 0.00 C ATOM 1238 CD ARG A 78 0.511 -5.548 -16.239 1.00 0.00 C ATOM 1239 NE ARG A 78 1.506 -6.199 -17.153 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.416 -6.276 -18.499 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.559 -5.614 -19.231 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.287 -7.028 -19.123 1.00 0.00 N ATOM 0 H ARG A 78 0.545 -4.319 -11.446 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.490 -3.544 -14.136 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.375 -6.346 -12.957 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.388 -5.874 -14.307 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.641 -5.806 -14.407 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.690 -7.208 -14.856 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.502 -5.728 -16.600 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.660 -4.468 -16.232 1.00 0.00 H new ATOM 0 HE ARG A 78 2.326 -6.623 -16.719 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.108 -4.982 -18.789 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.557 -5.730 -20.244 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.000 -7.529 -18.593 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.253 -7.113 -20.139 1.00 0.00 H new ATOM 1256 N GLY A 79 -2.258 -4.721 -11.526 1.00 0.00 N ATOM 1257 CA GLY A 79 -3.296 -4.343 -10.503 1.00 0.00 C ATOM 1258 C GLY A 79 -3.111 -4.957 -9.070 1.00 0.00 C ATOM 1259 O GLY A 79 -3.849 -5.867 -8.697 1.00 0.00 O ATOM 0 H GLY A 79 -1.961 -5.695 -11.463 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.308 -3.257 -10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.274 -4.642 -10.880 1.00 0.00 H new ATOM 1263 N ASP A 80 -2.088 -4.485 -8.311 1.00 0.00 N ATOM 1264 CA ASP A 80 -1.419 -5.286 -7.236 1.00 0.00 C ATOM 1265 C ASP A 80 -2.224 -5.849 -6.019 1.00 0.00 C ATOM 1266 O ASP A 80 -1.694 -6.684 -5.275 1.00 0.00 O ATOM 1267 CB ASP A 80 -0.393 -6.278 -7.897 1.00 0.00 C ATOM 1268 CG ASP A 80 0.764 -5.632 -8.657 1.00 0.00 C ATOM 1269 OD1 ASP A 80 0.581 -5.252 -9.825 1.00 0.00 O ATOM 1270 OD2 ASP A 80 1.828 -5.426 -8.072 1.00 0.00 O ATOM 0 H ASP A 80 -1.702 -3.547 -8.420 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.907 -4.530 -6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.022 -6.915 -7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.936 -6.928 -8.584 1.00 0.00 H new ATOM 1275 N HIS A 81 -3.401 -5.288 -5.727 1.00 0.00 N ATOM 1276 CA HIS A 81 -4.168 -5.681 -4.497 1.00 0.00 C ATOM 1277 C HIS A 81 -5.763 -5.498 -4.384 1.00 0.00 C ATOM 1278 O HIS A 81 -6.308 -6.219 -3.531 1.00 0.00 O ATOM 1279 CB HIS A 81 -3.479 -5.181 -3.215 1.00 0.00 C ATOM 1280 CG HIS A 81 -3.886 -3.781 -2.859 1.00 0.00 C ATOM 1281 ND1 HIS A 81 -4.314 -2.804 -3.754 1.00 0.00 N ATOM 1282 CD2 HIS A 81 -3.591 -3.238 -1.616 1.00 0.00 C ATOM 1283 CE1 HIS A 81 -4.248 -1.719 -2.959 1.00 0.00 C ATOM 1284 NE2 HIS A 81 -3.826 -1.888 -1.677 1.00 0.00 N ATOM 0 H HIS A 81 -3.852 -4.574 -6.299 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.118 -6.762 -4.627 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.724 -5.849 -2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.398 -5.220 -3.347 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.238 -3.783 -0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.522 -0.742 -3.329 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.713 -1.187 -0.945 1.00 0.00 H new ATOM 1293 N PRO A 82 -6.510 -4.551 -5.046 1.00 0.00 N ATOM 1294 CA PRO A 82 -8.011 -4.442 -4.988 1.00 0.00 C ATOM 1295 C PRO A 82 -8.740 -5.136 -6.194 1.00 0.00 C ATOM 1296 O PRO A 82 -8.120 -5.658 -7.126 1.00 0.00 O ATOM 1297 CB PRO A 82 -8.107 -2.894 -4.963 1.00 0.00 C ATOM 1298 CG PRO A 82 -6.736 -2.266 -5.335 1.00 0.00 C ATOM 1299 CD PRO A 82 -6.014 -3.464 -5.912 1.00 0.00 C ATOM 0 HA PRO A 82 -8.505 -4.949 -4.159 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.871 -2.558 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.413 -2.557 -3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.836 -1.457 -6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.222 -1.854 -4.466 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.264 -3.628 -6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.931 -3.356 -5.856 1.00 0.00 H new ATOM 1307 N THR A 83 -10.055 -4.957 -6.343 1.00 0.00 N ATOM 1308 CA THR A 83 -10.676 -4.736 -7.684 1.00 0.00 C ATOM 1309 C THR A 83 -10.469 -3.241 -8.067 1.00 0.00 C ATOM 1310 O THR A 83 -11.268 -2.355 -7.748 1.00 0.00 O ATOM 1311 CB THR A 83 -12.115 -5.270 -7.672 1.00 0.00 C ATOM 1312 OG1 THR A 83 -12.252 -6.644 -7.282 1.00 0.00 O ATOM 1313 CG2 THR A 83 -12.737 -5.154 -9.080 1.00 0.00 C ATOM 0 H THR A 83 -10.719 -4.958 -5.569 1.00 0.00 H new ATOM 0 HA THR A 83 -10.202 -5.301 -8.487 1.00 0.00 H new ATOM 0 HB THR A 83 -12.620 -4.655 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.199 -6.897 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.758 -5.536 -9.059 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.747 -4.109 -9.388 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.146 -5.736 -9.788 1.00 0.00 H new ATOM 1321 N GLY A 84 -9.285 -2.903 -8.674 1.00 0.00 N ATOM 1322 CA GLY A 84 -8.788 -1.495 -8.693 1.00 0.00 C ATOM 1323 C GLY A 84 -7.330 -1.371 -9.243 1.00 0.00 C ATOM 1324 O GLY A 84 -6.388 -1.375 -8.454 1.00 0.00 O ATOM 0 H GLY A 84 -8.675 -3.572 -9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.455 -0.888 -9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.825 -1.088 -7.682 1.00 0.00 H new ATOM 1328 N PRO A 85 -7.089 -1.333 -10.592 1.00 0.00 N ATOM 1329 CA PRO A 85 -5.709 -1.185 -11.148 1.00 0.00 C ATOM 1330 C PRO A 85 -5.205 0.317 -11.193 1.00 0.00 C ATOM 1331 O PRO A 85 -4.065 0.541 -10.773 1.00 0.00 O ATOM 1332 CB PRO A 85 -5.861 -1.877 -12.514 1.00 0.00 C ATOM 1333 CG PRO A 85 -7.315 -1.674 -12.937 1.00 0.00 C ATOM 1334 CD PRO A 85 -8.080 -1.646 -11.631 1.00 0.00 C ATOM 0 HA PRO A 85 -4.922 -1.631 -10.540 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.179 -1.446 -13.247 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.621 -2.938 -12.441 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.442 -0.745 -13.493 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.659 -2.482 -13.583 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.870 -0.895 -11.657 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.559 -2.606 -11.438 1.00 0.00 H new ATOM 1342 N LYS A 86 -5.963 1.313 -11.681 1.00 0.00 N ATOM 1343 CA LYS A 86 -5.513 2.750 -11.675 1.00 0.00 C ATOM 1344 C LYS A 86 -6.483 3.574 -10.797 1.00 0.00 C ATOM 1345 O LYS A 86 -7.223 4.345 -11.412 1.00 0.00 O ATOM 1346 CB LYS A 86 -5.452 3.123 -13.198 1.00 0.00 C ATOM 1347 CG LYS A 86 -4.977 4.566 -13.532 1.00 0.00 C ATOM 1348 CD LYS A 86 -4.741 4.623 -15.094 1.00 0.00 C ATOM 1349 CE LYS A 86 -4.267 6.009 -15.579 1.00 0.00 C ATOM 1350 NZ LYS A 86 -3.906 5.815 -17.015 1.00 0.00 N ATOM 0 H LYS A 86 -6.888 1.170 -12.086 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.539 2.952 -11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.786 2.419 -13.697 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.444 2.981 -13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.725 5.299 -13.228 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.059 4.805 -12.994 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.000 3.873 -15.372 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.667 4.361 -15.606 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.053 6.756 -15.467 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.411 6.358 -15.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.542 6.708 -17.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.175 5.079 -17.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.749 5.523 -17.549 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.459 3.457 -9.461 1.00 0.00 N ATOM 1365 CA GLU A 87 -7.582 3.662 -8.525 1.00 0.00 C ATOM 1366 C GLU A 87 -7.912 2.228 -8.036 1.00 0.00 C ATOM 1367 O GLU A 87 -8.794 1.499 -8.587 1.00 0.00 O ATOM 1368 CB GLU A 87 -8.814 4.554 -8.949 1.00 0.00 C ATOM 1369 CG GLU A 87 -9.828 5.022 -7.848 1.00 0.00 C ATOM 1370 CD GLU A 87 -9.485 6.285 -7.063 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -9.041 7.262 -7.708 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -9.785 6.342 -5.842 1.00 0.00 O ATOM 1373 OXT GLU A 87 -7.181 1.745 -7.138 1.00 0.00 O ATOM 0 H GLU A 87 -5.602 3.201 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.267 4.338 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.422 5.447 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.377 4.002 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.796 5.176 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.950 4.206 -7.135 1.00 0.00 H new TER 1380 GLU A 87