USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 703 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.195 K(o=-0.2,f=0.48) USER MOD Set 2.1: A 65 ASN : amide:sc= -5.11 X(o=-5.1,f=-5!) USER MOD Set 2.2: A 70 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 18 LYS NZ :NH3+ -151:sc= -1.16 (180deg=-2.49!) USER MOD Set 3.2: A 20 ASN : amide:sc= -0.489 X(o=-4.2,f=-3.9) USER MOD Set 3.3: A 22 GLN : amide:sc= -2.54! C(o=-4.2!,f=-6.6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.04 K(o=-1,f=-0.11) USER MOD Single : A 10 ASN : amide:sc= -4.48! C(o=-4.5!,f=-3.5!) USER MOD Single : A 11 MET CE :methyl -121:sc= -2.96! (180deg=-9.73!) USER MOD Single : A 12 GLN : amide:sc= -5.18! C(o=-5.2!,f=-8!) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 1.17 (180deg=1.07) USER MOD Single : A 15 THR OG1 : rot -166:sc= 1.8 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 33 GLN : amide:sc= -1.95! K(o=-2!,f=-0.64) USER MOD Single : A 35 SER OG : rot 73:sc= 1.31 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -127:sc= -0.853 (180deg=-2.59!) USER MOD Single : A 42 HIS : no HD1:sc= -0.405 X(o=-0.4,f=-0.028) USER MOD Single : A 45 THR OG1 : rot -62:sc= 0.388 USER MOD Single : A 47 MET CE :methyl 140:sc= -1.15 (180deg=-3.02!) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 1.05 (180deg=0.832) USER MOD Single : A 52 GLN : amide:sc= -2.09 K(o=-2.1,f=-7.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.81) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.479 USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.012) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.259 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0275 X(o=-0.027,f=0) USER MOD Single : A 72 MET CE :methyl 169:sc= -1.09 (180deg=-1.38) USER MOD Single : A 79 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.049) USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.722 -0.777 -0.911 1.00 0.00 N ATOM 2 CA PRO A 1 1.787 -0.737 -1.936 1.00 0.00 C ATOM 3 C PRO A 1 1.784 -2.024 -2.750 1.00 0.00 C ATOM 4 O PRO A 1 0.953 -2.903 -2.523 1.00 0.00 O ATOM 5 CB PRO A 1 3.125 -0.563 -1.245 1.00 0.00 C ATOM 6 CG PRO A 1 2.836 -0.965 0.151 1.00 0.00 C ATOM 7 CD PRO A 1 1.391 -0.598 0.396 1.00 0.00 C ATOM 0 H2 PRO A 1 0.220 -1.664 -0.943 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.036 -0.040 -1.072 1.00 0.00 H new ATOM 0 HA PRO A 1 1.610 0.098 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.895 -1.190 -1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.478 0.467 -1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.997 -2.034 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.494 -0.449 0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.945 -1.237 1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.299 0.429 0.749 1.00 0.00 H new ATOM 17 N VAL A 2 2.714 -2.139 -3.689 1.00 0.00 N ATOM 18 CA VAL A 2 2.815 -3.336 -4.512 1.00 0.00 C ATOM 19 C VAL A 2 4.227 -3.890 -4.458 1.00 0.00 C ATOM 20 O VAL A 2 5.183 -3.156 -4.193 1.00 0.00 O ATOM 21 CB VAL A 2 2.425 -3.081 -5.987 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.028 -2.499 -6.089 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.437 -2.182 -6.675 1.00 0.00 C ATOM 0 H VAL A 2 3.407 -1.420 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 2 2.108 -4.058 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 2 2.428 -4.042 -6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.780 -2.330 -7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.311 -3.195 -5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.988 -1.553 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.136 -2.021 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.484 -1.224 -6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.419 -2.655 -6.652 1.00 0.00 H new ATOM 33 N SER A 3 4.355 -5.179 -4.701 1.00 0.00 N ATOM 34 CA SER A 3 5.647 -5.824 -4.654 1.00 0.00 C ATOM 35 C SER A 3 6.329 -5.701 -6.007 1.00 0.00 C ATOM 36 O SER A 3 5.759 -6.065 -7.034 1.00 0.00 O ATOM 37 CB SER A 3 5.487 -7.293 -4.261 1.00 0.00 C ATOM 38 OG SER A 3 4.730 -7.425 -3.067 1.00 0.00 O ATOM 0 H SER A 3 3.579 -5.799 -4.933 1.00 0.00 H new ATOM 0 HA SER A 3 6.268 -5.335 -3.903 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.996 -7.837 -5.068 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.469 -7.745 -4.124 1.00 0.00 H new ATOM 0 HG SER A 3 4.641 -8.374 -2.839 1.00 0.00 H new ATOM 44 N ILE A 4 7.532 -5.165 -6.009 1.00 0.00 N ATOM 45 CA ILE A 4 8.265 -4.959 -7.245 1.00 0.00 C ATOM 46 C ILE A 4 9.662 -5.541 -7.153 1.00 0.00 C ATOM 47 O ILE A 4 10.284 -5.529 -6.092 1.00 0.00 O ATOM 48 CB ILE A 4 8.345 -3.468 -7.612 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.764 -2.641 -6.402 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.005 -2.988 -8.142 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.952 -1.175 -6.707 1.00 0.00 C ATOM 0 H ILE A 4 8.025 -4.863 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 4 7.718 -5.478 -8.032 1.00 0.00 H new ATOM 0 HB ILE A 4 9.097 -3.341 -8.391 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.011 -2.747 -5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.695 -3.043 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.073 -1.931 -8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.739 -3.561 -9.030 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.240 -3.127 -7.378 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.250 -0.650 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.727 -1.057 -7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.016 -0.757 -7.077 1.00 0.00 H new ATOM 63 N LYS A 5 10.150 -6.059 -8.260 1.00 0.00 N ATOM 64 CA LYS A 5 11.424 -6.745 -8.263 1.00 0.00 C ATOM 65 C LYS A 5 12.347 -6.166 -9.316 1.00 0.00 C ATOM 66 O LYS A 5 11.901 -5.730 -10.374 1.00 0.00 O ATOM 67 CB LYS A 5 11.219 -8.234 -8.525 1.00 0.00 C ATOM 68 CG LYS A 5 10.075 -8.818 -7.728 1.00 0.00 C ATOM 69 CD LYS A 5 9.707 -10.210 -8.199 1.00 0.00 C ATOM 70 CE LYS A 5 8.204 -10.400 -8.154 1.00 0.00 C ATOM 71 NZ LYS A 5 7.807 -11.815 -8.375 1.00 0.00 N ATOM 0 H LYS A 5 9.685 -6.018 -9.167 1.00 0.00 H new ATOM 0 HA LYS A 5 11.883 -6.609 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.031 -8.389 -9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.136 -8.770 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.348 -8.853 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.206 -8.166 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.070 -10.365 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.194 -10.955 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.827 -10.066 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.738 -9.772 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.771 -11.895 -8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.143 -12.128 -9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.229 -12.413 -7.636 1.00 0.00 H new ATOM 85 N VAL A 6 13.630 -6.166 -9.016 1.00 0.00 N ATOM 86 CA VAL A 6 14.638 -5.698 -9.950 1.00 0.00 C ATOM 87 C VAL A 6 15.657 -6.801 -10.197 1.00 0.00 C ATOM 88 O VAL A 6 16.472 -7.117 -9.326 1.00 0.00 O ATOM 89 CB VAL A 6 15.364 -4.428 -9.443 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.358 -3.923 -10.481 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.364 -3.339 -9.085 1.00 0.00 C ATOM 0 H VAL A 6 14.004 -6.488 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 6 14.128 -5.438 -10.878 1.00 0.00 H new ATOM 0 HB VAL A 6 15.916 -4.693 -8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.856 -3.030 -10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.100 -4.696 -10.680 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.830 -3.681 -11.403 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.898 -2.457 -8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.778 -3.079 -9.966 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.699 -3.699 -8.300 1.00 0.00 H new ATOM 101 N GLN A 7 15.577 -7.412 -11.364 1.00 0.00 N ATOM 102 CA GLN A 7 16.473 -8.490 -11.727 1.00 0.00 C ATOM 103 C GLN A 7 17.862 -7.938 -12.010 1.00 0.00 C ATOM 104 O GLN A 7 18.103 -7.347 -13.058 1.00 0.00 O ATOM 105 CB GLN A 7 15.937 -9.243 -12.947 1.00 0.00 C ATOM 106 CG GLN A 7 16.187 -10.738 -12.898 1.00 0.00 C ATOM 107 CD GLN A 7 17.653 -11.084 -12.997 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.164 -11.380 -14.076 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.348 -10.963 -11.884 1.00 0.00 N ATOM 0 H GLN A 7 14.893 -7.176 -12.082 1.00 0.00 H new ATOM 0 HA GLN A 7 16.537 -9.190 -10.894 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.865 -9.065 -13.031 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.399 -8.835 -13.846 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.784 -11.140 -11.968 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.648 -11.220 -13.713 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.878 -10.715 -11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.356 -11.117 -11.893 1.00 0.00 H new ATOM 118 N VAL A 8 18.761 -8.132 -11.064 1.00 0.00 N ATOM 119 CA VAL A 8 20.118 -7.640 -11.179 1.00 0.00 C ATOM 120 C VAL A 8 20.940 -8.525 -12.117 1.00 0.00 C ATOM 121 O VAL A 8 20.926 -9.749 -11.989 1.00 0.00 O ATOM 122 CB VAL A 8 20.790 -7.592 -9.789 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.237 -7.154 -9.885 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.020 -6.673 -8.857 1.00 0.00 C ATOM 0 H VAL A 8 18.571 -8.634 -10.197 1.00 0.00 H new ATOM 0 HA VAL A 8 20.078 -6.633 -11.594 1.00 0.00 H new ATOM 0 HB VAL A 8 20.775 -8.602 -9.380 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.677 -7.132 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.789 -7.856 -10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.287 -6.158 -10.326 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.508 -6.651 -7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.999 -5.666 -9.274 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.000 -7.041 -8.744 1.00 0.00 H new ATOM 134 N PRO A 9 21.663 -7.919 -13.069 1.00 0.00 N ATOM 135 CA PRO A 9 22.484 -8.661 -14.027 1.00 0.00 C ATOM 136 C PRO A 9 23.652 -9.373 -13.344 1.00 0.00 C ATOM 137 O PRO A 9 24.097 -8.976 -12.259 1.00 0.00 O ATOM 138 CB PRO A 9 22.989 -7.581 -14.988 1.00 0.00 C ATOM 139 CG PRO A 9 22.906 -6.310 -14.218 1.00 0.00 C ATOM 140 CD PRO A 9 21.738 -6.466 -13.287 1.00 0.00 C ATOM 0 HA PRO A 9 21.921 -9.449 -14.527 1.00 0.00 H new ATOM 0 HB2 PRO A 9 24.012 -7.783 -15.307 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.377 -7.537 -15.889 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.826 -6.129 -13.663 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.763 -5.459 -14.884 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.895 -5.928 -12.352 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.819 -6.078 -13.727 1.00 0.00 H new ATOM 148 N ASN A 10 24.141 -10.428 -13.975 1.00 0.00 N ATOM 149 CA ASN A 10 25.210 -11.235 -13.404 1.00 0.00 C ATOM 150 C ASN A 10 26.570 -10.626 -13.723 1.00 0.00 C ATOM 151 O ASN A 10 27.218 -11.005 -14.697 1.00 0.00 O ATOM 152 CB ASN A 10 25.152 -12.672 -13.935 1.00 0.00 C ATOM 153 CG ASN A 10 23.931 -13.449 -13.483 1.00 0.00 C ATOM 154 OD1 ASN A 10 22.874 -13.379 -14.107 1.00 0.00 O ATOM 155 ND2 ASN A 10 24.067 -14.214 -12.407 1.00 0.00 N ATOM 0 H ASN A 10 23.814 -10.748 -14.887 1.00 0.00 H new ATOM 0 HA ASN A 10 25.073 -11.254 -12.323 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.171 -12.647 -15.025 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.048 -13.204 -13.613 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.279 -14.769 -12.073 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.960 -14.247 -11.914 1.00 0.00 H new ATOM 162 N MET A 11 26.993 -9.666 -12.915 1.00 0.00 N ATOM 163 CA MET A 11 28.300 -9.052 -13.092 1.00 0.00 C ATOM 164 C MET A 11 29.008 -8.968 -11.755 1.00 0.00 C ATOM 165 O MET A 11 29.124 -7.893 -11.173 1.00 0.00 O ATOM 166 CB MET A 11 28.164 -7.648 -13.699 1.00 0.00 C ATOM 167 CG MET A 11 28.067 -7.631 -15.221 1.00 0.00 C ATOM 168 SD MET A 11 28.345 -5.989 -15.927 1.00 0.00 S ATOM 169 CE MET A 11 26.866 -5.113 -15.422 1.00 0.00 C ATOM 0 H MET A 11 26.453 -9.296 -12.133 1.00 0.00 H new ATOM 0 HA MET A 11 28.884 -9.668 -13.776 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.277 -7.170 -13.284 1.00 0.00 H new ATOM 0 HB3 MET A 11 29.021 -7.048 -13.394 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.797 -8.327 -15.634 1.00 0.00 H new ATOM 0 HG3 MET A 11 27.082 -7.988 -15.521 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.339 -4.750 -16.304 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.217 -5.787 -14.863 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.141 -4.268 -14.791 1.00 0.00 H new ATOM 179 N GLN A 12 29.510 -10.106 -11.288 1.00 0.00 N ATOM 180 CA GLN A 12 30.045 -10.199 -9.931 1.00 0.00 C ATOM 181 C GLN A 12 31.430 -9.598 -9.869 1.00 0.00 C ATOM 182 O GLN A 12 31.756 -8.824 -8.970 1.00 0.00 O ATOM 183 CB GLN A 12 30.133 -11.659 -9.464 1.00 0.00 C ATOM 184 CG GLN A 12 28.922 -12.525 -9.785 1.00 0.00 C ATOM 185 CD GLN A 12 28.852 -12.928 -11.246 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.865 -12.981 -11.938 1.00 0.00 O ATOM 187 NE2 GLN A 12 27.658 -13.241 -11.720 1.00 0.00 N ATOM 0 H GLN A 12 29.558 -10.973 -11.824 1.00 0.00 H new ATOM 0 HA GLN A 12 29.365 -9.651 -9.279 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.014 -12.114 -9.917 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.289 -11.668 -8.385 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.950 -13.423 -9.167 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.014 -11.983 -9.519 1.00 0.00 H new ATOM 0 HE21 GLN A 12 26.839 -13.185 -11.115 1.00 0.00 H new ATOM 0 HE22 GLN A 12 27.556 -13.538 -12.690 1.00 0.00 H new ATOM 196 N ASP A 13 32.237 -9.968 -10.835 1.00 0.00 N ATOM 197 CA ASP A 13 33.608 -9.501 -10.902 1.00 0.00 C ATOM 198 C ASP A 13 33.842 -8.764 -12.203 1.00 0.00 C ATOM 199 O ASP A 13 34.938 -8.279 -12.465 1.00 0.00 O ATOM 200 CB ASP A 13 34.592 -10.668 -10.796 1.00 0.00 C ATOM 201 CG ASP A 13 33.929 -11.979 -10.432 1.00 0.00 C ATOM 202 OD1 ASP A 13 33.494 -12.698 -11.350 1.00 0.00 O ATOM 203 OD2 ASP A 13 33.843 -12.294 -9.224 1.00 0.00 O ATOM 0 H ASP A 13 31.968 -10.596 -11.593 1.00 0.00 H new ATOM 0 HA ASP A 13 33.775 -8.826 -10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 13 35.112 -10.783 -11.747 1.00 0.00 H new ATOM 0 HB3 ASP A 13 35.347 -10.430 -10.047 1.00 0.00 H new ATOM 208 N LYS A 14 32.795 -8.667 -13.012 1.00 0.00 N ATOM 209 CA LYS A 14 32.921 -8.097 -14.349 1.00 0.00 C ATOM 210 C LYS A 14 32.773 -6.587 -14.276 1.00 0.00 C ATOM 211 O LYS A 14 32.816 -5.890 -15.288 1.00 0.00 O ATOM 212 CB LYS A 14 31.868 -8.674 -15.307 1.00 0.00 C ATOM 213 CG LYS A 14 31.315 -10.036 -14.903 1.00 0.00 C ATOM 214 CD LYS A 14 32.405 -11.088 -14.740 1.00 0.00 C ATOM 215 CE LYS A 14 31.824 -12.390 -14.216 1.00 0.00 C ATOM 216 NZ LYS A 14 32.872 -13.352 -13.786 1.00 0.00 N ATOM 0 H LYS A 14 31.853 -8.974 -12.768 1.00 0.00 H new ATOM 0 HA LYS A 14 33.907 -8.355 -14.736 1.00 0.00 H new ATOM 0 HB2 LYS A 14 31.040 -7.969 -15.382 1.00 0.00 H new ATOM 0 HB3 LYS A 14 32.308 -8.756 -16.301 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.767 -9.938 -13.966 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.601 -10.372 -15.655 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.894 -11.263 -15.698 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.169 -10.723 -14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.165 -12.177 -13.375 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.212 -12.849 -14.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.456 -14.301 -13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.635 -13.373 -14.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.259 -13.056 -12.867 1.00 0.00 H new ATOM 230 N THR A 15 32.587 -6.096 -13.062 1.00 0.00 N ATOM 231 CA THR A 15 32.423 -4.677 -12.826 1.00 0.00 C ATOM 232 C THR A 15 32.712 -4.351 -11.359 1.00 0.00 C ATOM 233 O THR A 15 33.140 -5.223 -10.601 1.00 0.00 O ATOM 234 CB THR A 15 31.000 -4.216 -13.213 1.00 0.00 C ATOM 235 OG1 THR A 15 30.919 -2.786 -13.182 1.00 0.00 O ATOM 236 CG2 THR A 15 29.955 -4.820 -12.286 1.00 0.00 C ATOM 0 H THR A 15 32.546 -6.669 -12.219 1.00 0.00 H new ATOM 0 HA THR A 15 33.134 -4.138 -13.452 1.00 0.00 H new ATOM 0 HB THR A 15 30.796 -4.564 -14.226 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.979 -2.511 -13.201 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.964 -4.478 -12.583 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.997 -5.907 -12.349 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.154 -4.508 -11.261 1.00 0.00 H new ATOM 244 N GLU A 16 32.472 -3.106 -10.968 1.00 0.00 N ATOM 245 CA GLU A 16 32.790 -2.644 -9.622 1.00 0.00 C ATOM 246 C GLU A 16 31.545 -2.590 -8.740 1.00 0.00 C ATOM 247 O GLU A 16 31.633 -2.344 -7.536 1.00 0.00 O ATOM 248 CB GLU A 16 33.448 -1.263 -9.691 1.00 0.00 C ATOM 249 CG GLU A 16 32.593 -0.217 -10.393 1.00 0.00 C ATOM 250 CD GLU A 16 33.304 1.111 -10.540 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.319 1.893 -9.570 1.00 0.00 O ATOM 252 OE2 GLU A 16 33.852 1.379 -11.630 1.00 0.00 O ATOM 0 H GLU A 16 32.056 -2.394 -11.568 1.00 0.00 H new ATOM 0 HA GLU A 16 33.483 -3.356 -9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.666 -0.922 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.402 -1.349 -10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.311 -0.585 -11.379 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.670 -0.071 -9.832 1.00 0.00 H new ATOM 259 N TRP A 17 30.396 -2.842 -9.342 1.00 0.00 N ATOM 260 CA TRP A 17 29.121 -2.753 -8.635 1.00 0.00 C ATOM 261 C TRP A 17 28.811 -4.057 -7.910 1.00 0.00 C ATOM 262 O TRP A 17 29.517 -5.052 -8.067 1.00 0.00 O ATOM 263 CB TRP A 17 27.993 -2.412 -9.608 1.00 0.00 C ATOM 264 CG TRP A 17 28.316 -1.237 -10.469 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.724 -0.006 -10.052 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.260 -1.183 -11.895 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.938 0.807 -11.135 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.660 0.107 -12.278 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.917 -2.105 -12.882 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.725 0.495 -13.609 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.981 -1.714 -14.204 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.384 -0.425 -14.556 1.00 0.00 C ATOM 0 H TRP A 17 30.315 -3.111 -10.322 1.00 0.00 H new ATOM 0 HA TRP A 17 29.200 -1.957 -7.895 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.789 -3.276 -10.240 1.00 0.00 H new ATOM 0 HB3 TRP A 17 27.082 -2.207 -9.046 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.859 0.286 -9.021 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.253 1.776 -11.095 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.607 -3.105 -12.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 29.035 1.492 -13.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.715 -2.417 -14.979 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.427 -0.151 -15.600 1.00 0.00 H new ATOM 283 N LYS A 18 27.739 -4.047 -7.132 1.00 0.00 N ATOM 284 CA LYS A 18 27.362 -5.190 -6.315 1.00 0.00 C ATOM 285 C LYS A 18 26.429 -6.128 -7.070 1.00 0.00 C ATOM 286 O LYS A 18 25.599 -6.823 -6.472 1.00 0.00 O ATOM 287 CB LYS A 18 26.670 -4.707 -5.044 1.00 0.00 C ATOM 288 CG LYS A 18 25.345 -4.006 -5.296 1.00 0.00 C ATOM 289 CD LYS A 18 24.235 -4.705 -4.542 1.00 0.00 C ATOM 290 CE LYS A 18 23.130 -5.198 -5.456 1.00 0.00 C ATOM 291 NZ LYS A 18 22.106 -5.944 -4.677 1.00 0.00 N ATOM 0 H LYS A 18 27.108 -3.250 -7.049 1.00 0.00 H new ATOM 0 HA LYS A 18 28.270 -5.738 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.500 -5.560 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.336 -4.025 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.410 -2.965 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.124 -4.002 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.650 -5.549 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.814 -4.021 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.665 -4.353 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.549 -5.843 -6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.660 -6.660 -5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.560 -6.413 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.381 -5.282 -4.333 1.00 0.00 H new ATOM 305 N LEU A 19 26.558 -6.170 -8.374 1.00 0.00 N ATOM 306 CA LEU A 19 25.666 -6.978 -9.177 1.00 0.00 C ATOM 307 C LEU A 19 26.144 -8.426 -9.157 1.00 0.00 C ATOM 308 O LEU A 19 27.288 -8.698 -9.463 1.00 0.00 O ATOM 309 CB LEU A 19 25.637 -6.468 -10.621 1.00 0.00 C ATOM 310 CG LEU A 19 25.578 -4.949 -10.779 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.500 -4.569 -12.245 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.398 -4.378 -10.020 1.00 0.00 C ATOM 0 H LEU A 19 27.266 -5.659 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 19 24.660 -6.914 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.525 -6.836 -11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.773 -6.902 -11.125 1.00 0.00 H new ATOM 0 HG LEU A 19 26.492 -4.526 -10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.459 -3.484 -12.338 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.381 -4.944 -12.766 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.604 -5.005 -12.687 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.374 -3.296 -10.145 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.474 -4.809 -10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.495 -4.619 -8.961 1.00 0.00 H new ATOM 324 N ASN A 20 25.286 -9.353 -8.775 1.00 0.00 N ATOM 325 CA ASN A 20 25.705 -10.753 -8.680 1.00 0.00 C ATOM 326 C ASN A 20 24.703 -11.664 -9.358 1.00 0.00 C ATOM 327 O ASN A 20 24.679 -12.868 -9.115 1.00 0.00 O ATOM 328 CB ASN A 20 25.879 -11.176 -7.217 1.00 0.00 C ATOM 329 CG ASN A 20 27.043 -10.485 -6.535 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.071 -11.100 -6.249 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.893 -9.191 -6.305 1.00 0.00 N ATOM 0 H ASN A 20 24.312 -9.176 -8.528 1.00 0.00 H new ATOM 0 HA ASN A 20 26.665 -10.843 -9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 20 24.962 -10.957 -6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.027 -12.255 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.648 -8.659 -5.873 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.022 -8.725 -6.560 1.00 0.00 H new ATOM 338 N GLY A 21 23.892 -11.087 -10.231 1.00 0.00 N ATOM 339 CA GLY A 21 22.869 -11.857 -10.904 1.00 0.00 C ATOM 340 C GLY A 21 21.694 -12.161 -10.003 1.00 0.00 C ATOM 341 O GLY A 21 20.858 -13.007 -10.325 1.00 0.00 O ATOM 0 H GLY A 21 23.924 -10.100 -10.485 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.521 -11.308 -11.779 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.299 -12.792 -11.265 1.00 0.00 H new ATOM 345 N GLN A 22 21.637 -11.481 -8.865 1.00 0.00 N ATOM 346 CA GLN A 22 20.563 -11.695 -7.909 1.00 0.00 C ATOM 347 C GLN A 22 19.330 -10.888 -8.293 1.00 0.00 C ATOM 348 O GLN A 22 19.334 -10.152 -9.274 1.00 0.00 O ATOM 349 CB GLN A 22 21.007 -11.326 -6.489 1.00 0.00 C ATOM 350 CG GLN A 22 21.280 -9.844 -6.295 1.00 0.00 C ATOM 351 CD GLN A 22 22.743 -9.546 -6.047 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.467 -10.355 -5.481 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.187 -8.381 -6.487 1.00 0.00 N ATOM 0 H GLN A 22 22.321 -10.779 -8.584 1.00 0.00 H new ATOM 0 HA GLN A 22 20.310 -12.755 -7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.236 -11.639 -5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.909 -11.887 -6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.947 -9.299 -7.178 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.691 -9.478 -5.454 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.550 -7.736 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.167 -8.128 -6.360 1.00 0.00 H new ATOM 362 N VAL A 23 18.287 -11.019 -7.506 1.00 0.00 N ATOM 363 CA VAL A 23 17.033 -10.329 -7.760 1.00 0.00 C ATOM 364 C VAL A 23 16.659 -9.478 -6.555 1.00 0.00 C ATOM 365 O VAL A 23 16.607 -9.977 -5.430 1.00 0.00 O ATOM 366 CB VAL A 23 15.883 -11.320 -8.057 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.600 -10.574 -8.395 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.265 -12.265 -9.187 1.00 0.00 C ATOM 0 H VAL A 23 18.279 -11.605 -6.671 1.00 0.00 H new ATOM 0 HA VAL A 23 17.176 -9.699 -8.638 1.00 0.00 H new ATOM 0 HB VAL A 23 15.707 -11.912 -7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.805 -11.291 -8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.312 -9.945 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.762 -9.951 -9.275 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.442 -12.953 -9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.474 -11.689 -10.088 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.153 -12.831 -8.904 1.00 0.00 H new ATOM 378 N LEU A 24 16.418 -8.199 -6.786 1.00 0.00 N ATOM 379 CA LEU A 24 15.996 -7.303 -5.726 1.00 0.00 C ATOM 380 C LEU A 24 14.491 -7.350 -5.596 1.00 0.00 C ATOM 381 O LEU A 24 13.786 -7.404 -6.599 1.00 0.00 O ATOM 382 CB LEU A 24 16.433 -5.868 -6.018 1.00 0.00 C ATOM 383 CG LEU A 24 17.926 -5.677 -6.274 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.229 -4.223 -6.604 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.732 -6.131 -5.067 1.00 0.00 C ATOM 0 H LEU A 24 16.508 -7.758 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 24 16.463 -7.626 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.884 -5.509 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.143 -5.239 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 24 18.212 -6.289 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.298 -4.106 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.677 -3.930 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.930 -3.590 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.794 -5.989 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.443 -5.544 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.537 -7.186 -4.875 1.00 0.00 H new ATOM 397 N VAL A 25 14.006 -7.342 -4.374 1.00 0.00 N ATOM 398 CA VAL A 25 12.577 -7.345 -4.122 1.00 0.00 C ATOM 399 C VAL A 25 12.233 -6.230 -3.154 1.00 0.00 C ATOM 400 O VAL A 25 12.581 -6.285 -1.975 1.00 0.00 O ATOM 401 CB VAL A 25 12.079 -8.691 -3.547 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.577 -8.644 -3.304 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.427 -9.838 -4.482 1.00 0.00 C ATOM 0 H VAL A 25 14.582 -7.333 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 25 12.078 -7.193 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 25 12.581 -8.860 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.244 -9.600 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.348 -7.850 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.062 -8.449 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.067 -10.775 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.955 -9.674 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.508 -9.889 -4.609 1.00 0.00 H new ATOM 413 N PHE A 26 11.573 -5.212 -3.665 1.00 0.00 N ATOM 414 CA PHE A 26 11.183 -4.073 -2.860 1.00 0.00 C ATOM 415 C PHE A 26 9.682 -3.871 -2.966 1.00 0.00 C ATOM 416 O PHE A 26 9.029 -4.462 -3.822 1.00 0.00 O ATOM 417 CB PHE A 26 11.921 -2.805 -3.305 1.00 0.00 C ATOM 418 CG PHE A 26 13.411 -2.864 -3.102 1.00 0.00 C ATOM 419 CD1 PHE A 26 13.945 -3.303 -1.901 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.277 -2.476 -4.112 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.313 -3.359 -1.712 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.647 -2.527 -3.928 1.00 0.00 C ATOM 423 CZ PHE A 26 16.166 -2.970 -2.727 1.00 0.00 C ATOM 0 H PHE A 26 11.293 -5.150 -4.644 1.00 0.00 H new ATOM 0 HA PHE A 26 11.453 -4.270 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.715 -2.628 -4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.523 -1.953 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.284 -3.605 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.878 -2.130 -5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.715 -3.707 -0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.311 -2.221 -4.723 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.235 -3.012 -2.582 1.00 0.00 H new ATOM 433 N THR A 27 9.127 -3.067 -2.086 1.00 0.00 N ATOM 434 CA THR A 27 7.709 -2.788 -2.131 1.00 0.00 C ATOM 435 C THR A 27 7.473 -1.290 -2.153 1.00 0.00 C ATOM 436 O THR A 27 7.914 -0.570 -1.257 1.00 0.00 O ATOM 437 CB THR A 27 6.986 -3.408 -0.927 1.00 0.00 C ATOM 438 OG1 THR A 27 7.422 -4.762 -0.756 1.00 0.00 O ATOM 439 CG2 THR A 27 5.476 -3.381 -1.105 1.00 0.00 C ATOM 0 H THR A 27 9.633 -2.597 -1.335 1.00 0.00 H new ATOM 0 HA THR A 27 7.306 -3.232 -3.041 1.00 0.00 H new ATOM 0 HB THR A 27 7.232 -2.817 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.963 -5.159 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.999 -3.828 -0.233 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.141 -2.349 -1.213 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.205 -3.946 -1.997 1.00 0.00 H new ATOM 447 N LEU A 28 6.794 -0.829 -3.183 1.00 0.00 N ATOM 448 CA LEU A 28 6.508 0.582 -3.344 1.00 0.00 C ATOM 449 C LEU A 28 5.068 0.767 -3.773 1.00 0.00 C ATOM 450 O LEU A 28 4.492 -0.110 -4.417 1.00 0.00 O ATOM 451 CB LEU A 28 7.441 1.214 -4.382 1.00 0.00 C ATOM 452 CG LEU A 28 8.890 1.390 -3.936 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.747 1.883 -5.090 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.966 2.364 -2.774 1.00 0.00 C ATOM 0 H LEU A 28 6.426 -1.419 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 28 6.671 1.077 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.427 0.598 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.042 2.190 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 28 9.271 0.422 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.777 2.003 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.713 1.159 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.367 2.842 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.005 2.481 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.568 3.331 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.380 1.980 -1.939 1.00 0.00 H new ATOM 466 N PRO A 29 4.451 1.881 -3.384 1.00 0.00 N ATOM 467 CA PRO A 29 3.114 2.226 -3.841 1.00 0.00 C ATOM 468 C PRO A 29 3.102 2.487 -5.339 1.00 0.00 C ATOM 469 O PRO A 29 4.095 2.941 -5.909 1.00 0.00 O ATOM 470 CB PRO A 29 2.774 3.505 -3.068 1.00 0.00 C ATOM 471 CG PRO A 29 4.091 4.065 -2.649 1.00 0.00 C ATOM 472 CD PRO A 29 5.007 2.888 -2.470 1.00 0.00 C ATOM 0 HA PRO A 29 2.396 1.425 -3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.226 4.210 -3.693 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.145 3.289 -2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.480 4.751 -3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.997 4.630 -1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.037 3.138 -2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.011 2.536 -1.439 1.00 0.00 H new ATOM 480 N LEU A 30 1.972 2.208 -5.967 1.00 0.00 N ATOM 481 CA LEU A 30 1.802 2.415 -7.404 1.00 0.00 C ATOM 482 C LEU A 30 1.951 3.900 -7.758 1.00 0.00 C ATOM 483 O LEU A 30 2.019 4.273 -8.930 1.00 0.00 O ATOM 484 CB LEU A 30 0.422 1.903 -7.825 1.00 0.00 C ATOM 485 CG LEU A 30 0.215 1.717 -9.326 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.181 0.678 -9.869 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.218 1.305 -9.619 1.00 0.00 C ATOM 0 H LEU A 30 1.146 1.833 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 30 2.574 1.863 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.243 0.948 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.332 2.599 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 30 0.411 2.668 -9.820 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.021 0.557 -10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.205 1.005 -9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.011 -0.274 -9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.347 1.177 -10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.437 0.365 -9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.899 2.077 -9.261 1.00 0.00 H new ATOM 499 N THR A 31 2.017 4.734 -6.727 1.00 0.00 N ATOM 500 CA THR A 31 2.119 6.171 -6.893 1.00 0.00 C ATOM 501 C THR A 31 3.560 6.612 -7.150 1.00 0.00 C ATOM 502 O THR A 31 3.792 7.719 -7.647 1.00 0.00 O ATOM 503 CB THR A 31 1.571 6.889 -5.650 1.00 0.00 C ATOM 504 OG1 THR A 31 2.305 6.485 -4.487 1.00 0.00 O ATOM 505 CG2 THR A 31 0.107 6.549 -5.452 1.00 0.00 C ATOM 0 H THR A 31 2.001 4.429 -5.754 1.00 0.00 H new ATOM 0 HA THR A 31 1.524 6.442 -7.765 1.00 0.00 H new ATOM 0 HB THR A 31 1.678 7.964 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.951 6.948 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.270 7.064 -4.568 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.462 6.866 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.002 5.473 -5.319 1.00 0.00 H new ATOM 513 N ASP A 32 4.525 5.754 -6.810 1.00 0.00 N ATOM 514 CA ASP A 32 5.930 6.048 -7.098 1.00 0.00 C ATOM 515 C ASP A 32 6.210 5.855 -8.579 1.00 0.00 C ATOM 516 O ASP A 32 5.304 5.575 -9.369 1.00 0.00 O ATOM 517 CB ASP A 32 6.898 5.191 -6.263 1.00 0.00 C ATOM 518 CG ASP A 32 7.223 5.822 -4.920 1.00 0.00 C ATOM 519 OD1 ASP A 32 7.929 6.857 -4.901 1.00 0.00 O ATOM 520 OD2 ASP A 32 6.776 5.302 -3.880 1.00 0.00 O ATOM 0 H ASP A 32 4.363 4.863 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 32 6.102 7.088 -6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.459 4.206 -6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.821 5.041 -6.823 1.00 0.00 H new ATOM 525 N GLN A 33 7.462 5.993 -8.961 1.00 0.00 N ATOM 526 CA GLN A 33 7.816 5.957 -10.363 1.00 0.00 C ATOM 527 C GLN A 33 9.164 5.299 -10.580 1.00 0.00 C ATOM 528 O GLN A 33 9.869 4.970 -9.625 1.00 0.00 O ATOM 529 CB GLN A 33 7.823 7.372 -10.952 1.00 0.00 C ATOM 530 CG GLN A 33 8.627 8.382 -10.145 1.00 0.00 C ATOM 531 CD GLN A 33 7.859 8.986 -8.978 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.445 9.316 -7.947 1.00 0.00 O ATOM 533 NE2 GLN A 33 6.552 9.165 -9.137 1.00 0.00 N ATOM 0 H GLN A 33 8.247 6.130 -8.324 1.00 0.00 H new ATOM 0 HA GLN A 33 7.062 5.360 -10.876 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.226 7.330 -11.964 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.795 7.725 -11.033 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.525 7.896 -9.764 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.954 9.184 -10.807 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.100 8.879 -10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.001 9.588 -8.391 1.00 0.00 H new ATOM 542 N VAL A 34 9.517 5.125 -11.847 1.00 0.00 N ATOM 543 CA VAL A 34 10.769 4.482 -12.227 1.00 0.00 C ATOM 544 C VAL A 34 11.963 5.294 -11.731 1.00 0.00 C ATOM 545 O VAL A 34 13.050 4.760 -11.516 1.00 0.00 O ATOM 546 CB VAL A 34 10.869 4.322 -13.758 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.107 3.526 -14.144 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.612 3.672 -14.318 1.00 0.00 C ATOM 0 H VAL A 34 8.946 5.424 -12.638 1.00 0.00 H new ATOM 0 HA VAL A 34 10.783 3.495 -11.765 1.00 0.00 H new ATOM 0 HB VAL A 34 10.960 5.317 -14.194 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.153 3.428 -15.229 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.998 4.044 -13.788 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.058 2.535 -13.692 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.706 3.570 -15.399 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.481 2.687 -13.870 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.747 4.293 -14.086 1.00 0.00 H new ATOM 558 N SER A 35 11.742 6.591 -11.554 1.00 0.00 N ATOM 559 CA SER A 35 12.753 7.490 -11.011 1.00 0.00 C ATOM 560 C SER A 35 13.295 6.954 -9.679 1.00 0.00 C ATOM 561 O SER A 35 14.475 7.104 -9.372 1.00 0.00 O ATOM 562 CB SER A 35 12.157 8.890 -10.822 1.00 0.00 C ATOM 563 OG SER A 35 13.158 9.890 -10.896 1.00 0.00 O ATOM 0 H SER A 35 10.859 7.048 -11.782 1.00 0.00 H new ATOM 0 HA SER A 35 13.583 7.550 -11.715 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.401 9.072 -11.586 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.654 8.946 -9.856 1.00 0.00 H new ATOM 0 HG SER A 35 13.445 9.998 -11.827 1.00 0.00 H new ATOM 569 N VAL A 36 12.431 6.298 -8.910 1.00 0.00 N ATOM 570 CA VAL A 36 12.822 5.712 -7.639 1.00 0.00 C ATOM 571 C VAL A 36 13.688 4.475 -7.863 1.00 0.00 C ATOM 572 O VAL A 36 14.599 4.187 -7.088 1.00 0.00 O ATOM 573 CB VAL A 36 11.576 5.325 -6.817 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.961 4.877 -5.424 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.594 6.484 -6.757 1.00 0.00 C ATOM 0 H VAL A 36 11.449 6.160 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 36 13.398 6.455 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 36 11.089 4.487 -7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.063 4.610 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.619 4.010 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.479 5.688 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.721 6.192 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.073 7.343 -6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.282 6.749 -7.767 1.00 0.00 H new ATOM 585 N ILE A 37 13.409 3.755 -8.937 1.00 0.00 N ATOM 586 CA ILE A 37 14.148 2.539 -9.252 1.00 0.00 C ATOM 587 C ILE A 37 15.576 2.871 -9.694 1.00 0.00 C ATOM 588 O ILE A 37 16.534 2.272 -9.214 1.00 0.00 O ATOM 589 CB ILE A 37 13.452 1.705 -10.360 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.946 1.571 -10.084 1.00 0.00 C ATOM 591 CG2 ILE A 37 14.101 0.332 -10.473 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.612 0.938 -8.749 1.00 0.00 C ATOM 0 H ILE A 37 12.676 3.990 -9.607 1.00 0.00 H new ATOM 0 HA ILE A 37 14.175 1.943 -8.340 1.00 0.00 H new ATOM 0 HB ILE A 37 13.574 2.228 -11.309 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.491 2.560 -10.128 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.494 0.977 -10.878 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.603 -0.243 -11.254 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.155 0.448 -10.724 1.00 0.00 H new ATOM 0 HG23 ILE A 37 14.010 -0.193 -9.522 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.530 0.881 -8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.035 -0.066 -8.706 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.031 1.543 -7.945 1.00 0.00 H new ATOM 604 N LYS A 38 15.718 3.837 -10.594 1.00 0.00 N ATOM 605 CA LYS A 38 17.039 4.219 -11.087 1.00 0.00 C ATOM 606 C LYS A 38 17.909 4.773 -9.965 1.00 0.00 C ATOM 607 O LYS A 38 19.097 4.458 -9.882 1.00 0.00 O ATOM 608 CB LYS A 38 16.944 5.255 -12.210 1.00 0.00 C ATOM 609 CG LYS A 38 16.034 6.428 -11.889 1.00 0.00 C ATOM 610 CD LYS A 38 16.536 7.732 -12.493 1.00 0.00 C ATOM 611 CE LYS A 38 17.855 8.167 -11.872 1.00 0.00 C ATOM 612 NZ LYS A 38 18.230 9.551 -12.271 1.00 0.00 N ATOM 0 H LYS A 38 14.944 4.367 -10.995 1.00 0.00 H new ATOM 0 HA LYS A 38 17.499 3.313 -11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.943 5.632 -12.429 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.583 4.765 -13.114 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.031 6.220 -12.262 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.955 6.538 -10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.663 7.610 -13.569 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.789 8.513 -12.346 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.780 8.111 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.643 7.477 -12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.134 9.808 -11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.327 9.600 -13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.491 10.214 -11.961 1.00 0.00 H new ATOM 626 N VAL A 39 17.321 5.597 -9.105 1.00 0.00 N ATOM 627 CA VAL A 39 18.082 6.222 -8.039 1.00 0.00 C ATOM 628 C VAL A 39 18.517 5.184 -7.006 1.00 0.00 C ATOM 629 O VAL A 39 19.650 5.219 -6.528 1.00 0.00 O ATOM 630 CB VAL A 39 17.301 7.379 -7.360 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.061 6.878 -6.637 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.199 8.150 -6.406 1.00 0.00 C ATOM 0 H VAL A 39 16.331 5.843 -9.127 1.00 0.00 H new ATOM 0 HA VAL A 39 18.971 6.659 -8.493 1.00 0.00 H new ATOM 0 HB VAL A 39 16.971 8.053 -8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.544 7.719 -6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.396 6.390 -7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.353 6.165 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.630 8.956 -5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.572 7.477 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.040 8.570 -6.958 1.00 0.00 H new ATOM 642 N LYS A 40 17.636 4.232 -6.698 1.00 0.00 N ATOM 643 CA LYS A 40 17.948 3.227 -5.691 1.00 0.00 C ATOM 644 C LYS A 40 19.068 2.301 -6.163 1.00 0.00 C ATOM 645 O LYS A 40 19.957 1.957 -5.391 1.00 0.00 O ATOM 646 CB LYS A 40 16.696 2.428 -5.283 1.00 0.00 C ATOM 647 CG LYS A 40 16.095 1.545 -6.355 1.00 0.00 C ATOM 648 CD LYS A 40 14.977 0.668 -5.799 1.00 0.00 C ATOM 649 CE LYS A 40 13.891 1.481 -5.093 1.00 0.00 C ATOM 650 NZ LYS A 40 14.242 1.819 -3.681 1.00 0.00 N ATOM 0 H LYS A 40 16.715 4.138 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 40 18.303 3.752 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.951 1.804 -4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.933 3.131 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.704 2.166 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.873 0.914 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.528 0.098 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.399 -0.053 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.715 2.402 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.958 0.918 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.472 1.519 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.119 1.328 -3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.380 2.846 -3.594 1.00 0.00 H new ATOM 664 N ILE A 41 19.051 1.927 -7.439 1.00 0.00 N ATOM 665 CA ILE A 41 20.096 1.070 -7.994 1.00 0.00 C ATOM 666 C ILE A 41 21.421 1.821 -8.059 1.00 0.00 C ATOM 667 O ILE A 41 22.482 1.272 -7.757 1.00 0.00 O ATOM 668 CB ILE A 41 19.727 0.575 -9.402 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.419 -0.207 -9.349 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.843 -0.292 -9.980 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.832 -0.465 -10.712 1.00 0.00 C ATOM 0 H ILE A 41 18.330 2.202 -8.106 1.00 0.00 H new ATOM 0 HA ILE A 41 20.194 0.207 -7.335 1.00 0.00 H new ATOM 0 HB ILE A 41 19.598 1.439 -10.054 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.592 -1.159 -8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.697 0.344 -8.747 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.561 -0.631 -10.977 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.762 0.291 -10.042 1.00 0.00 H new ATOM 0 HG23 ILE A 41 21.004 -1.156 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.903 -1.025 -10.608 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.630 0.485 -11.207 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.538 -1.042 -11.309 1.00 0.00 H new ATOM 683 N HIS A 42 21.340 3.086 -8.444 1.00 0.00 N ATOM 684 CA HIS A 42 22.511 3.957 -8.534 1.00 0.00 C ATOM 685 C HIS A 42 23.194 4.124 -7.174 1.00 0.00 C ATOM 686 O HIS A 42 24.412 4.265 -7.097 1.00 0.00 O ATOM 687 CB HIS A 42 22.101 5.332 -9.102 1.00 0.00 C ATOM 688 CG HIS A 42 23.159 6.399 -8.984 1.00 0.00 C ATOM 689 ND1 HIS A 42 22.972 7.582 -8.293 1.00 0.00 N ATOM 690 CD2 HIS A 42 24.417 6.465 -9.487 1.00 0.00 C ATOM 691 CE1 HIS A 42 24.064 8.318 -8.378 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.952 7.664 -9.097 1.00 0.00 N ATOM 0 H HIS A 42 20.464 3.540 -8.703 1.00 0.00 H new ATOM 0 HA HIS A 42 23.229 3.489 -9.207 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.839 5.213 -10.153 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.203 5.671 -8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 42 24.907 5.711 -10.085 1.00 0.00 H new ATOM 0 HE1 HIS A 42 24.205 9.292 -7.933 1.00 0.00 H new ATOM 0 HE2 HIS A 42 25.888 7.997 -9.327 1.00 0.00 H new ATOM 701 N GLU A 43 22.410 4.104 -6.108 1.00 0.00 N ATOM 702 CA GLU A 43 22.952 4.282 -4.766 1.00 0.00 C ATOM 703 C GLU A 43 23.353 2.946 -4.154 1.00 0.00 C ATOM 704 O GLU A 43 24.282 2.879 -3.354 1.00 0.00 O ATOM 705 CB GLU A 43 21.936 4.977 -3.861 1.00 0.00 C ATOM 706 CG GLU A 43 21.556 6.369 -4.326 1.00 0.00 C ATOM 707 CD GLU A 43 20.560 7.036 -3.406 1.00 0.00 C ATOM 708 OE1 GLU A 43 19.429 6.527 -3.273 1.00 0.00 O ATOM 709 OE2 GLU A 43 20.903 8.076 -2.805 1.00 0.00 O ATOM 0 H GLU A 43 21.400 3.967 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 43 23.841 4.907 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.036 4.365 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.344 5.040 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 43 22.453 6.984 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.136 6.311 -5.330 1.00 0.00 H new ATOM 716 N ALA A 44 22.655 1.890 -4.541 1.00 0.00 N ATOM 717 CA ALA A 44 22.888 0.574 -3.969 1.00 0.00 C ATOM 718 C ALA A 44 24.068 -0.123 -4.630 1.00 0.00 C ATOM 719 O ALA A 44 24.853 -0.797 -3.967 1.00 0.00 O ATOM 720 CB ALA A 44 21.635 -0.278 -4.096 1.00 0.00 C ATOM 0 H ALA A 44 21.922 1.919 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 44 23.130 0.705 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.819 -1.262 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.813 0.203 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.374 -0.386 -5.149 1.00 0.00 H new ATOM 726 N THR A 45 24.189 0.036 -5.940 1.00 0.00 N ATOM 727 CA THR A 45 25.241 -0.633 -6.686 1.00 0.00 C ATOM 728 C THR A 45 26.329 0.356 -7.079 1.00 0.00 C ATOM 729 O THR A 45 27.518 0.082 -6.939 1.00 0.00 O ATOM 730 CB THR A 45 24.682 -1.312 -7.953 1.00 0.00 C ATOM 731 OG1 THR A 45 24.455 -0.345 -8.986 1.00 0.00 O ATOM 732 CG2 THR A 45 23.362 -1.998 -7.652 1.00 0.00 C ATOM 0 H THR A 45 23.573 0.621 -6.505 1.00 0.00 H new ATOM 0 HA THR A 45 25.666 -1.400 -6.038 1.00 0.00 H new ATOM 0 HB THR A 45 25.418 -2.045 -8.284 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.786 0.305 -8.685 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.983 -2.471 -8.558 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.513 -2.755 -6.883 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.641 -1.261 -7.299 1.00 0.00 H new ATOM 740 N GLY A 46 25.903 1.509 -7.572 1.00 0.00 N ATOM 741 CA GLY A 46 26.830 2.535 -7.982 1.00 0.00 C ATOM 742 C GLY A 46 26.644 2.931 -9.432 1.00 0.00 C ATOM 743 O GLY A 46 27.197 3.936 -9.878 1.00 0.00 O ATOM 0 H GLY A 46 24.920 1.751 -7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.701 3.413 -7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.850 2.181 -7.832 1.00 0.00 H new ATOM 747 N MET A 47 25.864 2.150 -10.176 1.00 0.00 N ATOM 748 CA MET A 47 25.663 2.426 -11.595 1.00 0.00 C ATOM 749 C MET A 47 24.554 3.461 -11.804 1.00 0.00 C ATOM 750 O MET A 47 23.403 3.254 -11.417 1.00 0.00 O ATOM 751 CB MET A 47 25.358 1.129 -12.363 1.00 0.00 C ATOM 752 CG MET A 47 23.985 0.539 -12.078 1.00 0.00 C ATOM 753 SD MET A 47 23.798 -1.156 -12.671 1.00 0.00 S ATOM 754 CE MET A 47 23.846 -0.931 -14.448 1.00 0.00 C ATOM 0 H MET A 47 25.367 1.331 -9.825 1.00 0.00 H new ATOM 0 HA MET A 47 26.587 2.846 -11.991 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.441 1.326 -13.432 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.117 0.387 -12.116 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.803 0.563 -11.004 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.224 1.165 -12.544 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.424 -1.736 -14.901 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.831 -0.946 -14.844 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.312 0.026 -14.681 1.00 0.00 H new ATOM 764 N PRO A 48 24.906 4.615 -12.388 1.00 0.00 N ATOM 765 CA PRO A 48 23.938 5.668 -12.700 1.00 0.00 C ATOM 766 C PRO A 48 22.981 5.258 -13.816 1.00 0.00 C ATOM 767 O PRO A 48 23.296 4.388 -14.633 1.00 0.00 O ATOM 768 CB PRO A 48 24.809 6.851 -13.135 1.00 0.00 C ATOM 769 CG PRO A 48 26.117 6.262 -13.537 1.00 0.00 C ATOM 770 CD PRO A 48 26.281 4.986 -12.756 1.00 0.00 C ATOM 0 HA PRO A 48 23.298 5.897 -11.848 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.351 7.390 -13.964 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.935 7.565 -12.321 1.00 0.00 H new ATOM 0 HG2 PRO A 48 26.138 6.064 -14.609 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.933 6.953 -13.324 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.757 4.210 -13.355 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.904 5.135 -11.874 1.00 0.00 H new ATOM 778 N ALA A 49 21.819 5.903 -13.849 1.00 0.00 N ATOM 779 CA ALA A 49 20.771 5.583 -14.814 1.00 0.00 C ATOM 780 C ALA A 49 21.221 5.854 -16.245 1.00 0.00 C ATOM 781 O ALA A 49 20.600 5.389 -17.197 1.00 0.00 O ATOM 782 CB ALA A 49 19.513 6.378 -14.510 1.00 0.00 C ATOM 0 H ALA A 49 21.577 6.660 -13.210 1.00 0.00 H new ATOM 0 HA ALA A 49 20.557 4.518 -14.724 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.741 6.129 -15.238 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.161 6.132 -13.508 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.734 7.444 -14.566 1.00 0.00 H new ATOM 788 N GLY A 50 22.306 6.610 -16.383 1.00 0.00 N ATOM 789 CA GLY A 50 22.856 6.916 -17.691 1.00 0.00 C ATOM 790 C GLY A 50 23.151 5.678 -18.513 1.00 0.00 C ATOM 791 O GLY A 50 23.081 5.705 -19.741 1.00 0.00 O ATOM 0 H GLY A 50 22.819 7.020 -15.602 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.154 7.548 -18.235 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.774 7.491 -17.568 1.00 0.00 H new ATOM 795 N LYS A 51 23.476 4.588 -17.835 1.00 0.00 N ATOM 796 CA LYS A 51 23.791 3.342 -18.513 1.00 0.00 C ATOM 797 C LYS A 51 23.023 2.194 -17.880 1.00 0.00 C ATOM 798 O LYS A 51 23.153 1.048 -18.285 1.00 0.00 O ATOM 799 CB LYS A 51 25.293 3.025 -18.475 1.00 0.00 C ATOM 800 CG LYS A 51 26.191 4.111 -17.884 1.00 0.00 C ATOM 801 CD LYS A 51 26.037 4.232 -16.370 1.00 0.00 C ATOM 802 CE LYS A 51 26.025 2.876 -15.690 1.00 0.00 C ATOM 803 NZ LYS A 51 27.246 2.087 -16.007 1.00 0.00 N ATOM 0 H LYS A 51 23.528 4.542 -16.817 1.00 0.00 H new ATOM 0 HA LYS A 51 23.497 3.462 -19.556 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.437 2.110 -17.901 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.627 2.819 -19.492 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.231 3.890 -18.124 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.953 5.068 -18.348 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.854 4.831 -15.969 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.112 4.761 -16.141 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.950 3.011 -14.611 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.142 2.320 -16.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.266 1.228 -15.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.236 1.820 -17.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.091 2.661 -15.810 1.00 0.00 H new ATOM 817 N GLN A 52 22.248 2.509 -16.869 1.00 0.00 N ATOM 818 CA GLN A 52 21.439 1.527 -16.187 1.00 0.00 C ATOM 819 C GLN A 52 20.012 1.557 -16.735 1.00 0.00 C ATOM 820 O GLN A 52 19.313 2.561 -16.627 1.00 0.00 O ATOM 821 CB GLN A 52 21.523 1.815 -14.690 1.00 0.00 C ATOM 822 CG GLN A 52 20.324 1.409 -13.859 1.00 0.00 C ATOM 823 CD GLN A 52 19.587 2.612 -13.311 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.538 3.000 -13.807 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.200 3.278 -12.351 1.00 0.00 N ATOM 0 H GLN A 52 22.161 3.454 -16.496 1.00 0.00 H new ATOM 0 HA GLN A 52 21.802 0.513 -16.358 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.402 1.307 -14.293 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.685 2.885 -14.556 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.645 0.813 -14.468 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.651 0.776 -13.034 1.00 0.00 H new ATOM 0 HE21 GLN A 52 21.074 2.923 -11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.800 4.148 -11.998 1.00 0.00 H new ATOM 834 N LYS A 53 19.623 0.470 -17.386 1.00 0.00 N ATOM 835 CA LYS A 53 18.311 0.374 -18.012 1.00 0.00 C ATOM 836 C LYS A 53 17.397 -0.549 -17.217 1.00 0.00 C ATOM 837 O LYS A 53 17.838 -1.575 -16.699 1.00 0.00 O ATOM 838 CB LYS A 53 18.442 -0.159 -19.444 1.00 0.00 C ATOM 839 CG LYS A 53 19.320 0.681 -20.363 1.00 0.00 C ATOM 840 CD LYS A 53 18.536 1.780 -21.074 1.00 0.00 C ATOM 841 CE LYS A 53 18.163 2.918 -20.137 1.00 0.00 C ATOM 842 NZ LYS A 53 17.363 3.969 -20.822 1.00 0.00 N ATOM 0 H LYS A 53 20.201 -0.363 -17.495 1.00 0.00 H new ATOM 0 HA LYS A 53 17.877 1.373 -18.032 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.846 -1.171 -19.404 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.446 -0.231 -19.882 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.124 1.131 -19.781 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.787 0.034 -21.105 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.130 2.172 -21.900 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.630 1.356 -21.506 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.595 2.522 -19.295 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.070 3.363 -19.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.131 4.725 -20.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.914 4.366 -21.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.484 3.552 -21.190 1.00 0.00 H new ATOM 856 N LEU A 54 16.128 -0.181 -17.130 1.00 0.00 N ATOM 857 CA LEU A 54 15.137 -1.001 -16.447 1.00 0.00 C ATOM 858 C LEU A 54 14.115 -1.508 -17.458 1.00 0.00 C ATOM 859 O LEU A 54 13.422 -0.720 -18.096 1.00 0.00 O ATOM 860 CB LEU A 54 14.409 -0.210 -15.345 1.00 0.00 C ATOM 861 CG LEU A 54 15.280 0.434 -14.262 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.333 -0.542 -13.769 1.00 0.00 C ATOM 863 CD2 LEU A 54 15.911 1.725 -14.766 1.00 0.00 C ATOM 0 H LEU A 54 15.758 0.684 -17.525 1.00 0.00 H new ATOM 0 HA LEU A 54 15.657 -1.837 -15.979 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.825 0.577 -15.822 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.702 -0.881 -14.857 1.00 0.00 H new ATOM 0 HG LEU A 54 14.641 0.689 -13.417 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.940 -0.064 -13.000 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.845 -1.423 -13.351 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.970 -0.841 -14.601 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.524 2.162 -13.978 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.534 1.511 -15.634 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.127 2.428 -15.047 1.00 0.00 H new ATOM 875 N GLN A 55 14.028 -2.813 -17.613 1.00 0.00 N ATOM 876 CA GLN A 55 13.068 -3.400 -18.532 1.00 0.00 C ATOM 877 C GLN A 55 11.926 -4.060 -17.768 1.00 0.00 C ATOM 878 O GLN A 55 12.126 -5.039 -17.054 1.00 0.00 O ATOM 879 CB GLN A 55 13.753 -4.420 -19.440 1.00 0.00 C ATOM 880 CG GLN A 55 12.779 -5.322 -20.181 1.00 0.00 C ATOM 881 CD GLN A 55 13.467 -6.402 -20.991 1.00 0.00 C ATOM 882 OE1 GLN A 55 13.769 -7.477 -20.476 1.00 0.00 O ATOM 883 NE2 GLN A 55 13.685 -6.139 -22.269 1.00 0.00 N ATOM 0 H GLN A 55 14.609 -3.489 -17.116 1.00 0.00 H new ATOM 0 HA GLN A 55 12.656 -2.602 -19.150 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.371 -3.891 -20.166 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.423 -5.036 -18.840 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.106 -5.789 -19.462 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.164 -4.715 -20.845 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.419 -5.234 -22.656 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.119 -6.842 -22.867 1.00 0.00 H new ATOM 892 N TYR A 56 10.735 -3.524 -17.932 1.00 0.00 N ATOM 893 CA TYR A 56 9.557 -4.054 -17.265 1.00 0.00 C ATOM 894 C TYR A 56 8.714 -4.838 -18.236 1.00 0.00 C ATOM 895 O TYR A 56 8.145 -4.276 -19.167 1.00 0.00 O ATOM 896 CB TYR A 56 8.745 -2.923 -16.635 1.00 0.00 C ATOM 897 CG TYR A 56 7.358 -3.323 -16.149 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.182 -4.399 -15.286 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.225 -2.619 -16.552 1.00 0.00 C ATOM 900 CE1 TYR A 56 5.926 -4.763 -14.844 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.968 -2.981 -16.113 1.00 0.00 C ATOM 902 CZ TYR A 56 4.823 -4.051 -15.261 1.00 0.00 C ATOM 903 OH TYR A 56 3.569 -4.411 -14.827 1.00 0.00 O ATOM 0 H TYR A 56 10.553 -2.715 -18.526 1.00 0.00 H new ATOM 0 HA TYR A 56 9.880 -4.726 -16.470 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.306 -2.518 -15.793 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.641 -2.120 -17.365 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.044 -4.960 -14.956 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.333 -1.776 -17.219 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.809 -5.602 -14.174 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.100 -2.426 -16.437 1.00 0.00 H new ATOM 0 HH TYR A 56 2.903 -3.805 -15.214 1.00 0.00 H new ATOM 913 N GLU A 57 8.678 -6.143 -18.019 1.00 0.00 N ATOM 914 CA GLU A 57 7.891 -7.056 -18.838 1.00 0.00 C ATOM 915 C GLU A 57 8.296 -6.968 -20.307 1.00 0.00 C ATOM 916 O GLU A 57 7.492 -7.222 -21.202 1.00 0.00 O ATOM 917 CB GLU A 57 6.408 -6.734 -18.676 1.00 0.00 C ATOM 918 CG GLU A 57 5.895 -6.993 -17.275 1.00 0.00 C ATOM 919 CD GLU A 57 5.815 -8.466 -16.947 1.00 0.00 C ATOM 920 OE1 GLU A 57 6.875 -9.109 -16.788 1.00 0.00 O ATOM 921 OE2 GLU A 57 4.690 -8.990 -16.849 1.00 0.00 O ATOM 0 H GLU A 57 9.194 -6.602 -17.269 1.00 0.00 H new ATOM 0 HA GLU A 57 8.080 -8.076 -18.503 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.239 -5.688 -18.931 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.833 -7.331 -19.384 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.549 -6.500 -16.556 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.907 -6.546 -17.166 1.00 0.00 H new ATOM 928 N GLY A 58 9.556 -6.641 -20.544 1.00 0.00 N ATOM 929 CA GLY A 58 10.049 -6.546 -21.905 1.00 0.00 C ATOM 930 C GLY A 58 9.915 -5.142 -22.463 1.00 0.00 C ATOM 931 O GLY A 58 9.847 -4.946 -23.677 1.00 0.00 O ATOM 0 H GLY A 58 10.247 -6.440 -19.821 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.096 -6.848 -21.933 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.499 -7.242 -22.539 1.00 0.00 H new ATOM 935 N ILE A 59 9.878 -4.163 -21.565 1.00 0.00 N ATOM 936 CA ILE A 59 9.732 -2.770 -21.943 1.00 0.00 C ATOM 937 C ILE A 59 10.791 -1.955 -21.229 1.00 0.00 C ATOM 938 O ILE A 59 10.751 -1.821 -20.008 1.00 0.00 O ATOM 939 CB ILE A 59 8.341 -2.212 -21.560 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.236 -3.202 -21.934 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.103 -0.873 -22.244 1.00 0.00 C ATOM 942 CD1 ILE A 59 5.855 -2.783 -21.473 1.00 0.00 C ATOM 0 H ILE A 59 9.948 -4.316 -20.559 1.00 0.00 H new ATOM 0 HA ILE A 59 9.842 -2.702 -23.025 1.00 0.00 H new ATOM 0 HB ILE A 59 8.317 -2.065 -20.480 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.225 -3.327 -23.017 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.472 -4.175 -21.503 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.120 -0.492 -21.966 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.869 -0.164 -21.932 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.149 -1.004 -23.325 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.127 -3.535 -21.775 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.848 -2.687 -20.387 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.596 -1.825 -21.924 1.00 0.00 H new ATOM 954 N PHE A 60 11.761 -1.451 -21.971 1.00 0.00 N ATOM 955 CA PHE A 60 12.790 -0.615 -21.378 1.00 0.00 C ATOM 956 C PHE A 60 12.225 0.741 -20.999 1.00 0.00 C ATOM 957 O PHE A 60 12.139 1.659 -21.816 1.00 0.00 O ATOM 958 CB PHE A 60 13.987 -0.474 -22.304 1.00 0.00 C ATOM 959 CG PHE A 60 14.876 -1.682 -22.290 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.917 -1.773 -21.384 1.00 0.00 C ATOM 961 CD2 PHE A 60 14.678 -2.717 -23.184 1.00 0.00 C ATOM 962 CE1 PHE A 60 16.750 -2.874 -21.371 1.00 0.00 C ATOM 963 CE2 PHE A 60 15.505 -3.825 -23.176 1.00 0.00 C ATOM 964 CZ PHE A 60 16.546 -3.902 -22.271 1.00 0.00 C ATOM 0 H PHE A 60 11.858 -1.604 -22.975 1.00 0.00 H new ATOM 0 HA PHE A 60 13.138 -1.102 -20.467 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.636 -0.298 -23.321 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.566 0.402 -22.011 1.00 0.00 H new ATOM 0 HD1 PHE A 60 16.080 -0.973 -20.678 1.00 0.00 H new ATOM 0 HD2 PHE A 60 13.869 -2.660 -23.897 1.00 0.00 H new ATOM 0 HE1 PHE A 60 17.560 -2.931 -20.659 1.00 0.00 H new ATOM 0 HE2 PHE A 60 15.337 -4.630 -23.877 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.198 -4.763 -22.267 1.00 0.00 H new ATOM 974 N ILE A 61 11.831 0.840 -19.746 1.00 0.00 N ATOM 975 CA ILE A 61 11.166 2.026 -19.231 1.00 0.00 C ATOM 976 C ILE A 61 12.175 3.121 -18.894 1.00 0.00 C ATOM 977 O ILE A 61 13.345 2.846 -18.636 1.00 0.00 O ATOM 978 CB ILE A 61 10.327 1.685 -17.976 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.246 1.452 -16.761 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.450 0.465 -18.249 1.00 0.00 C ATOM 981 CD1 ILE A 61 10.973 0.173 -15.993 1.00 0.00 C ATOM 0 H ILE A 61 11.961 0.102 -19.054 1.00 0.00 H new ATOM 0 HA ILE A 61 10.501 2.394 -20.013 1.00 0.00 H new ATOM 0 HB ILE A 61 9.676 2.528 -17.744 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.281 1.440 -17.103 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.145 2.297 -16.080 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.863 0.232 -17.360 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.779 0.678 -19.081 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.081 -0.388 -18.501 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.668 0.095 -15.157 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.951 0.187 -15.615 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.104 -0.684 -16.654 1.00 0.00 H new ATOM 993 N LYS A 62 11.715 4.363 -18.924 1.00 0.00 N ATOM 994 CA LYS A 62 12.535 5.495 -18.524 1.00 0.00 C ATOM 995 C LYS A 62 12.055 6.030 -17.181 1.00 0.00 C ATOM 996 O LYS A 62 10.932 5.744 -16.762 1.00 0.00 O ATOM 997 CB LYS A 62 12.518 6.601 -19.584 1.00 0.00 C ATOM 998 CG LYS A 62 11.133 7.030 -20.035 1.00 0.00 C ATOM 999 CD LYS A 62 10.694 6.289 -21.290 1.00 0.00 C ATOM 1000 CE LYS A 62 9.338 6.768 -21.789 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.395 8.130 -22.383 1.00 0.00 N ATOM 0 H LYS A 62 10.772 4.612 -19.223 1.00 0.00 H new ATOM 0 HA LYS A 62 13.566 5.154 -18.425 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.042 7.471 -19.189 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.078 6.259 -20.454 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.417 6.846 -19.234 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.129 8.103 -20.226 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.439 6.429 -22.073 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.647 5.220 -21.082 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.961 6.067 -22.533 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.629 6.766 -20.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.466 8.374 -22.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.647 8.820 -21.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.112 8.151 -23.136 1.00 0.00 H new ATOM 1015 N ASP A 63 12.896 6.815 -16.518 1.00 0.00 N ATOM 1016 CA ASP A 63 12.599 7.291 -15.165 1.00 0.00 C ATOM 1017 C ASP A 63 11.479 8.322 -15.174 1.00 0.00 C ATOM 1018 O ASP A 63 10.874 8.609 -14.143 1.00 0.00 O ATOM 1019 CB ASP A 63 13.854 7.880 -14.508 1.00 0.00 C ATOM 1020 CG ASP A 63 13.918 9.397 -14.553 1.00 0.00 C ATOM 1021 OD1 ASP A 63 14.417 9.949 -15.552 1.00 0.00 O ATOM 1022 OD2 ASP A 63 13.495 10.046 -13.568 1.00 0.00 O ATOM 0 H ASP A 63 13.789 7.137 -16.891 1.00 0.00 H new ATOM 0 HA ASP A 63 12.267 6.433 -14.581 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.894 7.555 -13.468 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.736 7.474 -15.003 1.00 0.00 H new ATOM 1027 N SER A 64 11.193 8.851 -16.354 1.00 0.00 N ATOM 1028 CA SER A 64 10.136 9.837 -16.524 1.00 0.00 C ATOM 1029 C SER A 64 8.761 9.163 -16.540 1.00 0.00 C ATOM 1030 O SER A 64 7.743 9.803 -16.799 1.00 0.00 O ATOM 1031 CB SER A 64 10.368 10.607 -17.823 1.00 0.00 C ATOM 1032 OG SER A 64 11.707 11.078 -17.899 1.00 0.00 O ATOM 0 H SER A 64 11.683 8.611 -17.216 1.00 0.00 H new ATOM 0 HA SER A 64 10.158 10.530 -15.683 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.156 9.962 -18.676 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.678 11.449 -17.880 1.00 0.00 H new ATOM 0 HG SER A 64 11.835 11.567 -18.739 1.00 0.00 H new ATOM 1038 N ASN A 65 8.747 7.868 -16.254 1.00 0.00 N ATOM 1039 CA ASN A 65 7.514 7.107 -16.197 1.00 0.00 C ATOM 1040 C ASN A 65 7.232 6.737 -14.759 1.00 0.00 C ATOM 1041 O ASN A 65 8.116 6.822 -13.903 1.00 0.00 O ATOM 1042 CB ASN A 65 7.603 5.821 -17.019 1.00 0.00 C ATOM 1043 CG ASN A 65 7.857 6.050 -18.492 1.00 0.00 C ATOM 1044 OD1 ASN A 65 7.467 7.064 -19.066 1.00 0.00 O ATOM 1045 ND2 ASN A 65 8.513 5.088 -19.116 1.00 0.00 N ATOM 0 H ASN A 65 9.586 7.322 -16.057 1.00 0.00 H new ATOM 0 HA ASN A 65 6.718 7.726 -16.610 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.401 5.198 -16.615 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.674 5.263 -16.903 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.714 5.171 -20.113 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.819 4.262 -18.601 1.00 0.00 H new ATOM 1052 N SER A 66 6.028 6.285 -14.495 1.00 0.00 N ATOM 1053 CA SER A 66 5.648 5.918 -13.157 1.00 0.00 C ATOM 1054 C SER A 66 5.163 4.483 -13.138 1.00 0.00 C ATOM 1055 O SER A 66 4.882 3.900 -14.188 1.00 0.00 O ATOM 1056 CB SER A 66 4.577 6.873 -12.639 1.00 0.00 C ATOM 1057 OG SER A 66 3.408 6.815 -13.435 1.00 0.00 O ATOM 0 H SER A 66 5.295 6.164 -15.194 1.00 0.00 H new ATOM 0 HA SER A 66 6.513 5.993 -12.498 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.330 6.621 -11.608 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.966 7.891 -12.634 1.00 0.00 H new ATOM 0 HG SER A 66 2.739 7.436 -13.079 1.00 0.00 H new ATOM 1063 N LEU A 67 5.083 3.914 -11.957 1.00 0.00 N ATOM 1064 CA LEU A 67 4.661 2.538 -11.810 1.00 0.00 C ATOM 1065 C LEU A 67 3.208 2.383 -12.249 1.00 0.00 C ATOM 1066 O LEU A 67 2.858 1.432 -12.952 1.00 0.00 O ATOM 1067 CB LEU A 67 4.828 2.110 -10.360 1.00 0.00 C ATOM 1068 CG LEU A 67 6.145 2.555 -9.712 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.141 2.276 -8.224 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.333 1.876 -10.370 1.00 0.00 C ATOM 0 H LEU A 67 5.306 4.385 -11.080 1.00 0.00 H new ATOM 0 HA LEU A 67 5.279 1.901 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.998 2.511 -9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.760 1.024 -10.305 1.00 0.00 H new ATOM 0 HG LEU A 67 6.237 3.631 -9.860 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.087 2.601 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.321 2.819 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.013 1.207 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.254 2.209 -9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.239 0.795 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.360 2.135 -11.428 1.00 0.00 H new ATOM 1082 N ALA A 68 2.371 3.334 -11.837 1.00 0.00 N ATOM 1083 CA ALA A 68 0.965 3.359 -12.232 1.00 0.00 C ATOM 1084 C ALA A 68 0.819 3.465 -13.742 1.00 0.00 C ATOM 1085 O ALA A 68 -0.061 2.840 -14.334 1.00 0.00 O ATOM 1086 CB ALA A 68 0.247 4.518 -11.559 1.00 0.00 C ATOM 0 H ALA A 68 2.646 4.102 -11.225 1.00 0.00 H new ATOM 0 HA ALA A 68 0.511 2.422 -11.910 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.800 4.523 -11.863 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.310 4.406 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.715 5.457 -11.854 1.00 0.00 H new ATOM 1092 N TYR A 69 1.699 4.248 -14.355 1.00 0.00 N ATOM 1093 CA TYR A 69 1.672 4.478 -15.794 1.00 0.00 C ATOM 1094 C TYR A 69 1.731 3.161 -16.566 1.00 0.00 C ATOM 1095 O TYR A 69 0.992 2.961 -17.528 1.00 0.00 O ATOM 1096 CB TYR A 69 2.841 5.385 -16.187 1.00 0.00 C ATOM 1097 CG TYR A 69 2.972 5.632 -17.670 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.171 6.563 -18.315 1.00 0.00 C ATOM 1099 CD2 TYR A 69 3.908 4.938 -18.422 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.300 6.796 -19.672 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.044 5.162 -19.775 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.238 6.092 -20.398 1.00 0.00 C ATOM 1103 OH TYR A 69 3.374 6.323 -21.750 1.00 0.00 O ATOM 0 H TYR A 69 2.449 4.740 -13.870 1.00 0.00 H new ATOM 0 HA TYR A 69 0.733 4.967 -16.052 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.726 6.344 -15.681 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.767 4.941 -15.823 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.435 7.114 -17.749 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.542 4.209 -17.939 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.670 7.525 -20.160 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.778 4.612 -20.345 1.00 0.00 H new ATOM 0 HH TYR A 69 4.079 5.746 -22.111 1.00 0.00 H new ATOM 1113 N TYR A 70 2.602 2.257 -16.134 1.00 0.00 N ATOM 1114 CA TYR A 70 2.727 0.956 -16.786 1.00 0.00 C ATOM 1115 C TYR A 70 1.884 -0.107 -16.090 1.00 0.00 C ATOM 1116 O TYR A 70 1.938 -1.285 -16.461 1.00 0.00 O ATOM 1117 CB TYR A 70 4.187 0.507 -16.840 1.00 0.00 C ATOM 1118 CG TYR A 70 4.978 1.144 -17.956 1.00 0.00 C ATOM 1119 CD1 TYR A 70 4.655 0.898 -19.285 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.045 1.987 -17.686 1.00 0.00 C ATOM 1121 CE1 TYR A 70 5.375 1.474 -20.314 1.00 0.00 C ATOM 1122 CE2 TYR A 70 6.769 2.566 -18.707 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.433 2.306 -20.019 1.00 0.00 C ATOM 1124 OH TYR A 70 7.157 2.884 -21.038 1.00 0.00 O ATOM 0 H TYR A 70 3.228 2.397 -15.341 1.00 0.00 H new ATOM 0 HA TYR A 70 2.355 1.074 -17.804 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.665 0.741 -15.889 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.220 -0.576 -16.956 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.827 0.245 -19.518 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.313 2.193 -16.660 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.111 1.274 -21.342 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.597 3.221 -18.480 1.00 0.00 H new ATOM 0 HH TYR A 70 6.577 3.019 -21.816 1.00 0.00 H new ATOM 1134 N ASN A 71 1.104 0.313 -15.095 1.00 0.00 N ATOM 1135 CA ASN A 71 0.253 -0.601 -14.324 1.00 0.00 C ATOM 1136 C ASN A 71 1.075 -1.697 -13.658 1.00 0.00 C ATOM 1137 O ASN A 71 0.722 -2.878 -13.741 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.820 -1.252 -15.209 1.00 0.00 C ATOM 1139 CG ASN A 71 -2.071 -0.407 -15.395 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -3.168 -0.948 -15.566 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -1.931 0.907 -15.368 1.00 0.00 N ATOM 0 H ASN A 71 1.042 1.287 -14.800 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.233 0.001 -13.556 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.389 -1.463 -16.188 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.103 -2.210 -14.772 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.745 1.509 -15.491 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.009 1.319 -15.224 1.00 0.00 H new ATOM 1148 N MET A 72 2.173 -1.313 -13.012 1.00 0.00 N ATOM 1149 CA MET A 72 2.984 -2.263 -12.260 1.00 0.00 C ATOM 1150 C MET A 72 2.222 -2.782 -11.045 1.00 0.00 C ATOM 1151 O MET A 72 2.335 -2.239 -9.947 1.00 0.00 O ATOM 1152 CB MET A 72 4.302 -1.627 -11.812 1.00 0.00 C ATOM 1153 CG MET A 72 5.240 -1.287 -12.954 1.00 0.00 C ATOM 1154 SD MET A 72 6.840 -0.691 -12.378 1.00 0.00 S ATOM 1155 CE MET A 72 7.725 -0.520 -13.920 1.00 0.00 C ATOM 0 H MET A 72 2.520 -0.354 -12.995 1.00 0.00 H new ATOM 0 HA MET A 72 3.208 -3.100 -12.921 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.083 -0.718 -11.252 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.809 -2.308 -11.129 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.387 -2.171 -13.575 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.779 -0.527 -13.585 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.656 0.021 -13.747 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.949 -1.508 -14.323 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.112 0.032 -14.632 1.00 0.00 H new ATOM 1165 N ALA A 73 1.412 -3.806 -11.268 1.00 0.00 N ATOM 1166 CA ALA A 73 0.663 -4.442 -10.194 1.00 0.00 C ATOM 1167 C ALA A 73 1.590 -5.225 -9.267 1.00 0.00 C ATOM 1168 O ALA A 73 2.810 -5.215 -9.442 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.403 -5.356 -10.777 1.00 0.00 C ATOM 0 H ALA A 73 1.256 -4.216 -12.189 1.00 0.00 H new ATOM 0 HA ALA A 73 0.180 -3.664 -9.603 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.959 -5.829 -9.968 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.086 -4.772 -11.394 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.071 -6.124 -11.388 1.00 0.00 H new ATOM 1175 N ASN A 74 1.008 -5.906 -8.287 1.00 0.00 N ATOM 1176 CA ASN A 74 1.789 -6.681 -7.334 1.00 0.00 C ATOM 1177 C ASN A 74 2.563 -7.775 -8.052 1.00 0.00 C ATOM 1178 O ASN A 74 1.974 -8.673 -8.661 1.00 0.00 O ATOM 1179 CB ASN A 74 0.890 -7.309 -6.268 1.00 0.00 C ATOM 1180 CG ASN A 74 1.687 -7.900 -5.120 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.160 -9.034 -5.192 1.00 0.00 O ATOM 1182 ND2 ASN A 74 1.810 -7.149 -4.039 1.00 0.00 N ATOM 0 H ASN A 74 0.000 -5.937 -8.133 1.00 0.00 H new ATOM 0 HA ASN A 74 2.488 -6.002 -6.846 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.206 -6.554 -5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.280 -8.089 -6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.312 -7.505 -3.225 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.403 -6.214 -4.019 1.00 0.00 H new ATOM 1189 N GLY A 75 3.876 -7.685 -7.992 1.00 0.00 N ATOM 1190 CA GLY A 75 4.715 -8.664 -8.632 1.00 0.00 C ATOM 1191 C GLY A 75 5.310 -8.143 -9.921 1.00 0.00 C ATOM 1192 O GLY A 75 5.508 -8.904 -10.869 1.00 0.00 O ATOM 0 H GLY A 75 4.380 -6.943 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.517 -8.954 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.132 -9.562 -8.838 1.00 0.00 H new ATOM 1196 N ALA A 76 5.602 -6.847 -9.968 1.00 0.00 N ATOM 1197 CA ALA A 76 6.193 -6.266 -11.166 1.00 0.00 C ATOM 1198 C ALA A 76 7.653 -6.669 -11.274 1.00 0.00 C ATOM 1199 O ALA A 76 8.473 -6.295 -10.435 1.00 0.00 O ATOM 1200 CB ALA A 76 6.059 -4.754 -11.164 1.00 0.00 C ATOM 0 H ALA A 76 5.442 -6.190 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 76 5.654 -6.648 -12.033 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.509 -4.348 -12.070 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.004 -4.482 -11.129 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.568 -4.345 -10.291 1.00 0.00 H new ATOM 1206 N VAL A 77 7.976 -7.441 -12.298 1.00 0.00 N ATOM 1207 CA VAL A 77 9.332 -7.925 -12.474 1.00 0.00 C ATOM 1208 C VAL A 77 10.094 -7.037 -13.439 1.00 0.00 C ATOM 1209 O VAL A 77 9.888 -7.092 -14.655 1.00 0.00 O ATOM 1210 CB VAL A 77 9.369 -9.379 -12.986 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.799 -9.902 -13.005 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.479 -10.270 -12.135 1.00 0.00 C ATOM 0 H VAL A 77 7.319 -7.744 -13.017 1.00 0.00 H new ATOM 0 HA VAL A 77 9.805 -7.897 -11.493 1.00 0.00 H new ATOM 0 HB VAL A 77 8.987 -9.394 -14.007 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.806 -10.929 -13.369 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.405 -9.280 -13.663 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.211 -9.872 -11.996 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.519 -11.292 -12.513 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.827 -10.251 -11.102 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.452 -9.907 -12.179 1.00 0.00 H new ATOM 1222 N ILE A 78 10.954 -6.203 -12.894 1.00 0.00 N ATOM 1223 CA ILE A 78 11.806 -5.366 -13.713 1.00 0.00 C ATOM 1224 C ILE A 78 13.133 -6.061 -13.908 1.00 0.00 C ATOM 1225 O ILE A 78 13.623 -6.736 -13.014 1.00 0.00 O ATOM 1226 CB ILE A 78 12.065 -3.971 -13.097 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.800 -3.414 -12.444 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.574 -3.008 -14.160 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.577 -3.469 -13.319 1.00 0.00 C ATOM 0 H ILE A 78 11.082 -6.086 -11.889 1.00 0.00 H new ATOM 0 HA ILE A 78 11.287 -5.212 -14.659 1.00 0.00 H new ATOM 0 HB ILE A 78 12.827 -4.081 -12.325 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.603 -3.971 -11.528 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.980 -2.378 -12.155 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.751 -2.031 -13.711 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.505 -3.389 -14.580 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.831 -2.914 -14.952 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.725 -3.055 -12.780 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.751 -2.888 -14.224 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.368 -4.505 -13.587 1.00 0.00 H new ATOM 1241 N HIS A 79 13.698 -5.915 -15.082 1.00 0.00 N ATOM 1242 CA HIS A 79 14.974 -6.531 -15.396 1.00 0.00 C ATOM 1243 C HIS A 79 16.010 -5.450 -15.586 1.00 0.00 C ATOM 1244 O HIS A 79 15.917 -4.645 -16.514 1.00 0.00 O ATOM 1245 CB HIS A 79 14.883 -7.399 -16.657 1.00 0.00 C ATOM 1246 CG HIS A 79 13.881 -8.505 -16.550 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.202 -9.838 -16.669 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.548 -8.459 -16.343 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.106 -10.564 -16.549 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.087 -9.751 -16.349 1.00 0.00 N ATOM 0 H HIS A 79 13.294 -5.371 -15.844 1.00 0.00 H new ATOM 0 HA HIS A 79 15.259 -7.181 -14.569 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.624 -6.766 -17.506 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.864 -7.827 -16.865 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.954 -7.569 -16.199 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.053 -11.641 -16.605 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.116 -10.036 -16.220 1.00 0.00 H new ATOM 1259 N LEU A 80 16.962 -5.407 -14.684 1.00 0.00 N ATOM 1260 CA LEU A 80 18.038 -4.447 -14.775 1.00 0.00 C ATOM 1261 C LEU A 80 19.063 -4.926 -15.786 1.00 0.00 C ATOM 1262 O LEU A 80 19.476 -6.087 -15.768 1.00 0.00 O ATOM 1263 CB LEU A 80 18.703 -4.232 -13.415 1.00 0.00 C ATOM 1264 CG LEU A 80 19.959 -3.356 -13.438 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.634 -1.962 -13.944 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.590 -3.283 -12.060 1.00 0.00 C ATOM 0 H LEU A 80 17.014 -6.027 -13.876 1.00 0.00 H new ATOM 0 HA LEU A 80 17.622 -3.493 -15.100 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.976 -3.781 -12.740 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.965 -5.204 -12.998 1.00 0.00 H new ATOM 0 HG LEU A 80 20.675 -3.813 -14.121 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.541 -1.357 -13.952 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.232 -2.026 -14.955 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.895 -1.500 -13.289 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.480 -2.656 -12.100 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.877 -2.856 -11.355 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.867 -4.285 -11.733 1.00 0.00 H new ATOM 1278 N ALA A 81 19.458 -4.038 -16.669 1.00 0.00 N ATOM 1279 CA ALA A 81 20.405 -4.363 -17.710 1.00 0.00 C ATOM 1280 C ALA A 81 21.220 -3.145 -18.050 1.00 0.00 C ATOM 1281 O ALA A 81 20.727 -2.018 -18.009 1.00 0.00 O ATOM 1282 CB ALA A 81 19.678 -4.883 -18.933 1.00 0.00 C ATOM 0 H ALA A 81 19.132 -3.072 -16.686 1.00 0.00 H new ATOM 0 HA ALA A 81 21.077 -5.145 -17.356 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.402 -5.125 -19.711 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.116 -5.779 -18.669 1.00 0.00 H new ATOM 0 HB3 ALA A 81 18.992 -4.120 -19.300 1.00 0.00 H new ATOM 1288 N LEU A 82 22.478 -3.369 -18.351 1.00 0.00 N ATOM 1289 CA LEU A 82 23.365 -2.285 -18.668 1.00 0.00 C ATOM 1290 C LEU A 82 23.197 -1.881 -20.130 1.00 0.00 C ATOM 1291 O LEU A 82 23.081 -2.729 -21.016 1.00 0.00 O ATOM 1292 CB LEU A 82 24.802 -2.690 -18.363 1.00 0.00 C ATOM 1293 CG LEU A 82 25.669 -1.592 -17.740 1.00 0.00 C ATOM 1294 CD1 LEU A 82 27.013 -2.150 -17.322 1.00 0.00 C ATOM 1295 CD2 LEU A 82 25.878 -0.435 -18.687 1.00 0.00 C ATOM 0 H LEU A 82 22.906 -4.294 -18.382 1.00 0.00 H new ATOM 0 HA LEU A 82 23.118 -1.419 -18.053 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.786 -3.546 -17.688 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.273 -3.022 -19.288 1.00 0.00 H new ATOM 0 HG LEU A 82 25.137 -1.223 -16.863 1.00 0.00 H new ATOM 0 HD11 LEU A 82 27.616 -1.356 -16.881 1.00 0.00 H new ATOM 0 HD12 LEU A 82 26.866 -2.943 -16.589 1.00 0.00 H new ATOM 0 HD13 LEU A 82 27.527 -2.554 -18.195 1.00 0.00 H new ATOM 0 HD21 LEU A 82 26.498 0.321 -18.206 1.00 0.00 H new ATOM 0 HD22 LEU A 82 26.374 -0.789 -19.591 1.00 0.00 H new ATOM 0 HD23 LEU A 82 24.913 -0.000 -18.949 1.00 0.00 H new ATOM 1307 N LYS A 83 23.166 -0.576 -20.352 1.00 0.00 N ATOM 1308 CA LYS A 83 22.989 0.002 -21.684 1.00 0.00 C ATOM 1309 C LYS A 83 24.142 -0.401 -22.600 1.00 0.00 C ATOM 1310 O LYS A 83 23.973 -0.576 -23.806 1.00 0.00 O ATOM 1311 CB LYS A 83 22.915 1.526 -21.566 1.00 0.00 C ATOM 1312 CG LYS A 83 22.885 2.260 -22.894 1.00 0.00 C ATOM 1313 CD LYS A 83 22.808 3.760 -22.679 1.00 0.00 C ATOM 1314 CE LYS A 83 21.435 4.181 -22.185 1.00 0.00 C ATOM 1315 NZ LYS A 83 21.378 5.635 -21.879 1.00 0.00 N ATOM 0 H LYS A 83 23.263 0.119 -19.612 1.00 0.00 H new ATOM 0 HA LYS A 83 22.063 -0.375 -22.118 1.00 0.00 H new ATOM 0 HB2 LYS A 83 22.023 1.791 -20.999 1.00 0.00 H new ATOM 0 HB3 LYS A 83 23.773 1.875 -20.992 1.00 0.00 H new ATOM 0 HG2 LYS A 83 23.778 2.016 -23.470 1.00 0.00 H new ATOM 0 HG3 LYS A 83 22.028 1.927 -23.479 1.00 0.00 H new ATOM 0 HD2 LYS A 83 23.565 4.064 -21.956 1.00 0.00 H new ATOM 0 HD3 LYS A 83 23.034 4.275 -23.613 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.687 3.939 -22.941 1.00 0.00 H new ATOM 0 HE3 LYS A 83 21.180 3.612 -21.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.385 5.940 -21.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 21.845 5.817 -20.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.864 6.167 -22.629 1.00 0.00 H new ATOM 1329 N GLU A 84 25.309 -0.549 -22.002 1.00 0.00 N ATOM 1330 CA GLU A 84 26.520 -0.917 -22.715 1.00 0.00 C ATOM 1331 C GLU A 84 27.403 -1.714 -21.752 1.00 0.00 C ATOM 1332 O GLU A 84 26.889 -2.352 -20.838 1.00 0.00 O ATOM 1333 CB GLU A 84 27.219 0.355 -23.230 1.00 0.00 C ATOM 1334 CG GLU A 84 28.340 0.103 -24.233 1.00 0.00 C ATOM 1335 CD GLU A 84 27.937 -0.866 -25.325 1.00 0.00 C ATOM 1336 OE1 GLU A 84 27.112 -0.494 -26.182 1.00 0.00 O ATOM 1337 OE2 GLU A 84 28.432 -2.013 -25.315 1.00 0.00 O ATOM 0 H GLU A 84 25.445 -0.416 -21.000 1.00 0.00 H new ATOM 0 HA GLU A 84 26.302 -1.536 -23.585 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.473 1.001 -23.693 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.627 0.899 -22.378 1.00 0.00 H new ATOM 0 HG2 GLU A 84 28.639 1.049 -24.684 1.00 0.00 H new ATOM 0 HG3 GLU A 84 29.211 -0.289 -23.708 1.00 0.00 H new ATOM 1344 N ARG A 85 28.708 -1.693 -21.947 1.00 0.00 N ATOM 1345 CA ARG A 85 29.612 -2.347 -21.016 1.00 0.00 C ATOM 1346 C ARG A 85 30.389 -1.291 -20.238 1.00 0.00 C ATOM 1347 O ARG A 85 30.248 -1.167 -19.020 1.00 0.00 O ATOM 1348 CB ARG A 85 30.561 -3.285 -21.765 1.00 0.00 C ATOM 1349 CG ARG A 85 30.688 -4.667 -21.136 1.00 0.00 C ATOM 1350 CD ARG A 85 29.326 -5.315 -20.895 1.00 0.00 C ATOM 1351 NE ARG A 85 28.465 -5.283 -22.083 1.00 0.00 N ATOM 1352 CZ ARG A 85 27.342 -5.993 -22.209 1.00 0.00 C ATOM 1353 NH1 ARG A 85 27.029 -6.916 -21.307 1.00 0.00 N ATOM 1354 NH2 ARG A 85 26.542 -5.803 -23.254 1.00 0.00 N ATOM 0 H ARG A 85 29.165 -1.234 -22.735 1.00 0.00 H new ATOM 0 HA ARG A 85 29.036 -2.948 -20.313 1.00 0.00 H new ATOM 0 HB2 ARG A 85 30.212 -3.395 -22.792 1.00 0.00 H new ATOM 0 HB3 ARG A 85 31.548 -2.826 -21.811 1.00 0.00 H new ATOM 0 HG2 ARG A 85 31.284 -5.308 -21.786 1.00 0.00 H new ATOM 0 HG3 ARG A 85 31.223 -4.587 -20.190 1.00 0.00 H new ATOM 0 HD2 ARG A 85 29.471 -6.350 -20.584 1.00 0.00 H new ATOM 0 HD3 ARG A 85 28.825 -4.802 -20.074 1.00 0.00 H new ATOM 0 HE ARG A 85 28.742 -4.682 -22.859 1.00 0.00 H new ATOM 0 HH11 ARG A 85 27.648 -7.085 -20.514 1.00 0.00 H new ATOM 0 HH12 ARG A 85 26.170 -7.456 -21.407 1.00 0.00 H new ATOM 0 HH21 ARG A 85 26.786 -5.112 -23.964 1.00 0.00 H new ATOM 0 HH22 ARG A 85 25.685 -6.348 -23.346 1.00 0.00 H new ATOM 1368 N GLY A 86 31.184 -0.510 -20.950 1.00 0.00 N ATOM 1369 CA GLY A 86 31.900 0.587 -20.339 1.00 0.00 C ATOM 1370 C GLY A 86 32.791 1.282 -21.338 1.00 0.00 C ATOM 1371 O GLY A 86 32.496 1.195 -22.547 1.00 0.00 O ATOM 1372 OXT GLY A 86 33.779 1.919 -20.923 1.00 0.00 O ATOM 0 H GLY A 86 31.347 -0.619 -21.951 1.00 0.00 H new ATOM 0 HA2 GLY A 86 31.190 1.301 -19.923 1.00 0.00 H new ATOM 0 HA3 GLY A 86 32.501 0.215 -19.509 1.00 0.00 H new TER 1376 GLY A 86