USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 770 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 THR OG1 : rot 36:sc= -0.373 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.158 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-3.6) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 146:sc= -1.92 (180deg=-4.95!) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= 0.0566 (180deg=-0.577) USER MOD Single : A 27 ASN : amide:sc= -0.0618 X(o=-0.062,f=-0.44) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.26 F(o=-2.4!,f=-1.3) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-7.1!) USER MOD Single : A 52 ASN : amide:sc= -0.41 K(o=-0.41,f=-3.6!) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.869 F(o=-0.27,f=0.87) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -99:sc= 0.717 USER MOD Single : A 63 SER OG : rot -80:sc= 0.443 USER MOD Single : A 67 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-2.8!) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.0217 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -170:sc= 0.533 USER MOD Single : A 77 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.53) USER MOD Single : A 80 GLN : amide:sc= 0.521 K(o=0.52,f=-0.0058) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 157:sc= -0.0659 (180deg=-0.411) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.976 X(o=-0.98,f=-1.5) USER MOD Single : A 97 CYS SG : rot 180:sc= -0.0809 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.887 -18.589 -2.448 1.00 0.00 N ATOM 2 CA GLY A 1 12.719 -18.682 -1.263 1.00 0.00 C ATOM 3 C GLY A 1 13.981 -17.849 -1.375 1.00 0.00 C ATOM 4 O GLY A 1 14.865 -18.153 -2.176 1.00 0.00 O ATOM 0 H1 GLY A 1 11.037 -19.175 -2.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.605 -17.599 -2.598 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.421 -18.926 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.147 -18.355 -0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.989 -19.724 -1.093 1.00 0.00 H new ATOM 8 N SER A 2 14.065 -16.794 -0.570 1.00 0.00 N ATOM 9 CA SER A 2 15.225 -15.911 -0.586 1.00 0.00 C ATOM 10 C SER A 2 16.339 -16.463 0.298 1.00 0.00 C ATOM 11 O SER A 2 16.115 -17.358 1.113 1.00 0.00 O ATOM 12 CB SER A 2 14.832 -14.510 -0.116 1.00 0.00 C ATOM 13 OG SER A 2 13.824 -13.957 -0.945 1.00 0.00 O ATOM 0 H SER A 2 13.344 -16.530 0.101 1.00 0.00 H new ATOM 0 HA SER A 2 15.593 -15.852 -1.610 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.476 -14.555 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.708 -13.862 -0.122 1.00 0.00 H new ATOM 0 HG SER A 2 13.589 -13.062 -0.622 1.00 0.00 H new ATOM 19 N SER A 3 17.542 -15.922 0.131 1.00 0.00 N ATOM 20 CA SER A 3 18.693 -16.361 0.910 1.00 0.00 C ATOM 21 C SER A 3 19.210 -15.234 1.799 1.00 0.00 C ATOM 22 O SER A 3 19.095 -14.057 1.458 1.00 0.00 O ATOM 23 CB SER A 3 19.808 -16.847 -0.017 1.00 0.00 C ATOM 24 OG SER A 3 20.225 -15.817 -0.897 1.00 0.00 O ATOM 0 H SER A 3 17.744 -15.179 -0.537 1.00 0.00 H new ATOM 0 HA SER A 3 18.375 -17.186 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.656 -17.188 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.458 -17.703 -0.594 1.00 0.00 H new ATOM 0 HG SER A 3 20.940 -16.152 -1.478 1.00 0.00 H new ATOM 30 N GLY A 4 19.781 -15.603 2.942 1.00 0.00 N ATOM 31 CA GLY A 4 20.307 -14.613 3.862 1.00 0.00 C ATOM 32 C GLY A 4 21.425 -13.790 3.252 1.00 0.00 C ATOM 33 O GLY A 4 22.049 -14.206 2.276 1.00 0.00 O ATOM 0 H GLY A 4 19.888 -16.571 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.501 -13.949 4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.675 -15.113 4.758 1.00 0.00 H new ATOM 37 N SER A 5 21.678 -12.619 3.828 1.00 0.00 N ATOM 38 CA SER A 5 22.724 -11.733 3.332 1.00 0.00 C ATOM 39 C SER A 5 23.255 -10.840 4.449 1.00 0.00 C ATOM 40 O SER A 5 22.576 -9.917 4.896 1.00 0.00 O ATOM 41 CB SER A 5 22.191 -10.872 2.185 1.00 0.00 C ATOM 42 OG SER A 5 23.242 -10.172 1.542 1.00 0.00 O ATOM 0 H SER A 5 21.173 -12.262 4.639 1.00 0.00 H new ATOM 0 HA SER A 5 23.544 -12.350 2.963 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.674 -11.503 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.458 -10.162 2.569 1.00 0.00 H new ATOM 0 HG SER A 5 22.876 -9.631 0.812 1.00 0.00 H new ATOM 48 N SER A 6 24.475 -11.123 4.894 1.00 0.00 N ATOM 49 CA SER A 6 25.098 -10.349 5.962 1.00 0.00 C ATOM 50 C SER A 6 26.259 -9.519 5.425 1.00 0.00 C ATOM 51 O SER A 6 26.999 -9.961 4.546 1.00 0.00 O ATOM 52 CB SER A 6 25.591 -11.278 7.073 1.00 0.00 C ATOM 53 OG SER A 6 24.554 -12.134 7.520 1.00 0.00 O ATOM 0 H SER A 6 25.052 -11.882 4.532 1.00 0.00 H new ATOM 0 HA SER A 6 24.348 -9.671 6.371 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.427 -11.874 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.963 -10.685 7.909 1.00 0.00 H new ATOM 0 HG SER A 6 24.895 -12.719 8.229 1.00 0.00 H new ATOM 59 N GLY A 7 26.413 -8.312 5.960 1.00 0.00 N ATOM 60 CA GLY A 7 27.486 -7.438 5.523 1.00 0.00 C ATOM 61 C GLY A 7 27.252 -6.884 4.132 1.00 0.00 C ATOM 62 O GLY A 7 28.186 -6.760 3.339 1.00 0.00 O ATOM 0 H GLY A 7 25.814 -7.924 6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.588 -6.612 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 28.427 -7.988 5.538 1.00 0.00 H new ATOM 66 N VAL A 8 26.001 -6.550 3.832 1.00 0.00 N ATOM 67 CA VAL A 8 25.646 -6.007 2.526 1.00 0.00 C ATOM 68 C VAL A 8 24.764 -4.772 2.666 1.00 0.00 C ATOM 69 O VAL A 8 24.005 -4.642 3.627 1.00 0.00 O ATOM 70 CB VAL A 8 24.915 -7.052 1.663 1.00 0.00 C ATOM 71 CG1 VAL A 8 24.494 -6.446 0.333 1.00 0.00 C ATOM 72 CG2 VAL A 8 25.794 -8.274 1.447 1.00 0.00 C ATOM 0 H VAL A 8 25.216 -6.646 4.476 1.00 0.00 H new ATOM 0 HA VAL A 8 26.579 -5.730 2.034 1.00 0.00 H new ATOM 0 HB VAL A 8 24.016 -7.369 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 8 23.979 -7.199 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 8 23.824 -5.605 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 8 25.377 -6.099 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 8 25.261 -9.002 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 8 26.712 -7.977 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 8 26.040 -8.720 2.411 1.00 0.00 H new ATOM 82 N LYS A 9 24.867 -3.865 1.701 1.00 0.00 N ATOM 83 CA LYS A 9 24.078 -2.639 1.714 1.00 0.00 C ATOM 84 C LYS A 9 23.133 -2.588 0.517 1.00 0.00 C ATOM 85 O LYS A 9 23.433 -3.096 -0.563 1.00 0.00 O ATOM 86 CB LYS A 9 24.997 -1.416 1.703 1.00 0.00 C ATOM 87 CG LYS A 9 25.703 -1.196 0.377 1.00 0.00 C ATOM 88 CD LYS A 9 26.807 -0.159 0.497 1.00 0.00 C ATOM 89 CE LYS A 9 27.591 -0.026 -0.799 1.00 0.00 C ATOM 90 NZ LYS A 9 28.579 1.087 -0.738 1.00 0.00 N ATOM 0 H LYS A 9 25.490 -3.956 0.899 1.00 0.00 H new ATOM 0 HA LYS A 9 23.482 -2.630 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.410 -0.529 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 9 25.744 -1.527 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.125 -2.139 0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.980 -0.873 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.374 0.806 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.483 -0.438 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.110 -0.962 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.901 0.146 -1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 29.093 1.145 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.082 1.984 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 29.253 0.911 0.034 1.00 0.00 H new ATOM 104 N PRO A 10 21.964 -1.959 0.712 1.00 0.00 N ATOM 105 CA PRO A 10 20.953 -1.825 -0.341 1.00 0.00 C ATOM 106 C PRO A 10 21.392 -0.874 -1.449 1.00 0.00 C ATOM 107 O PRO A 10 22.127 0.087 -1.221 1.00 0.00 O ATOM 108 CB PRO A 10 19.741 -1.257 0.402 1.00 0.00 C ATOM 109 CG PRO A 10 20.316 -0.550 1.580 1.00 0.00 C ATOM 110 CD PRO A 10 21.540 -1.330 1.974 1.00 0.00 C ATOM 0 HA PRO A 10 20.758 -2.773 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 10 19.173 -0.575 -0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.059 -2.049 0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 10 20.573 0.479 1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.598 -0.510 2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 10 22.316 -0.682 2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 10 21.314 -2.074 2.738 1.00 0.00 H new ATOM 118 N PRO A 11 20.932 -1.145 -2.680 1.00 0.00 N ATOM 119 CA PRO A 11 21.265 -0.325 -3.848 1.00 0.00 C ATOM 120 C PRO A 11 20.605 1.049 -3.798 1.00 0.00 C ATOM 121 O PRO A 11 21.253 2.069 -4.033 1.00 0.00 O ATOM 122 CB PRO A 11 20.716 -1.139 -5.022 1.00 0.00 C ATOM 123 CG PRO A 11 19.623 -1.964 -4.433 1.00 0.00 C ATOM 124 CD PRO A 11 20.052 -2.274 -3.025 1.00 0.00 C ATOM 0 HA PRO A 11 22.334 -0.125 -3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.340 -0.490 -5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.490 -1.766 -5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.677 -1.423 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.473 -2.879 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.199 -2.339 -2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 11 20.579 -3.227 -2.966 1.00 0.00 H new ATOM 132 N HIS A 12 19.312 1.069 -3.490 1.00 0.00 N ATOM 133 CA HIS A 12 18.564 2.318 -3.408 1.00 0.00 C ATOM 134 C HIS A 12 17.933 2.484 -2.028 1.00 0.00 C ATOM 135 O HIS A 12 17.663 3.601 -1.589 1.00 0.00 O ATOM 136 CB HIS A 12 17.480 2.360 -4.485 1.00 0.00 C ATOM 137 CG HIS A 12 16.953 1.009 -4.858 1.00 0.00 C ATOM 138 ND1 HIS A 12 16.116 0.277 -4.043 1.00 0.00 N ATOM 139 CD2 HIS A 12 17.147 0.258 -5.967 1.00 0.00 C ATOM 140 CE1 HIS A 12 15.819 -0.867 -4.633 1.00 0.00 C ATOM 141 NE2 HIS A 12 16.432 -0.903 -5.803 1.00 0.00 N ATOM 0 H HIS A 12 18.761 0.234 -3.293 1.00 0.00 H new ATOM 0 HA HIS A 12 19.260 3.141 -3.572 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.654 2.979 -4.134 1.00 0.00 H new ATOM 0 HB3 HIS A 12 17.883 2.842 -5.376 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.752 0.522 -6.822 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.184 -1.641 -4.228 1.00 0.00 H new ATOM 0 HE2 HIS A 12 16.382 -1.669 -6.475 1.00 0.00 H new ATOM 150 N GLY A 13 17.700 1.365 -1.350 1.00 0.00 N ATOM 151 CA GLY A 13 17.102 1.408 -0.029 1.00 0.00 C ATOM 152 C GLY A 13 15.871 0.531 0.080 1.00 0.00 C ATOM 153 O GLY A 13 15.726 -0.232 1.035 1.00 0.00 O ATOM 0 H GLY A 13 17.915 0.429 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.838 1.089 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.834 2.437 0.211 1.00 0.00 H new ATOM 157 N PHE A 14 14.980 0.640 -0.901 1.00 0.00 N ATOM 158 CA PHE A 14 13.753 -0.148 -0.910 1.00 0.00 C ATOM 159 C PHE A 14 14.051 -1.622 -0.650 1.00 0.00 C ATOM 160 O PHE A 14 15.131 -2.113 -0.976 1.00 0.00 O ATOM 161 CB PHE A 14 13.031 0.009 -2.250 1.00 0.00 C ATOM 162 CG PHE A 14 12.337 1.332 -2.405 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.064 2.485 -2.656 1.00 0.00 C ATOM 164 CD2 PHE A 14 10.959 1.423 -2.300 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.428 3.704 -2.800 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.318 2.639 -2.443 1.00 0.00 C ATOM 167 CZ PHE A 14 11.053 3.781 -2.693 1.00 0.00 C ATOM 0 H PHE A 14 15.085 1.266 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 14 13.108 0.220 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.752 -0.111 -3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.298 -0.791 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.139 2.431 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.379 0.533 -2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.006 4.595 -2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.243 2.696 -2.359 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.554 4.732 -2.805 1.00 0.00 H new ATOM 177 N GLN A 15 13.086 -2.319 -0.060 1.00 0.00 N ATOM 178 CA GLN A 15 13.245 -3.736 0.245 1.00 0.00 C ATOM 179 C GLN A 15 12.156 -4.564 -0.430 1.00 0.00 C ATOM 180 O GLN A 15 11.126 -4.034 -0.846 1.00 0.00 O ATOM 181 CB GLN A 15 13.209 -3.961 1.758 1.00 0.00 C ATOM 182 CG GLN A 15 14.240 -3.144 2.519 1.00 0.00 C ATOM 183 CD GLN A 15 14.198 -3.396 4.013 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.615 -4.379 4.472 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.816 -2.507 4.782 1.00 0.00 N ATOM 0 H GLN A 15 12.186 -1.926 0.216 1.00 0.00 H new ATOM 0 HA GLN A 15 14.212 -4.058 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.215 -3.714 2.130 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.372 -5.019 1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.235 -3.381 2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.071 -2.084 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 15 15.287 -1.707 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.820 -2.624 5.795 1.00 0.00 H new ATOM 194 N LYS A 16 12.392 -5.867 -0.536 1.00 0.00 N ATOM 195 CA LYS A 16 11.432 -6.770 -1.160 1.00 0.00 C ATOM 196 C LYS A 16 10.494 -7.371 -0.118 1.00 0.00 C ATOM 197 O LYS A 16 10.822 -7.433 1.067 1.00 0.00 O ATOM 198 CB LYS A 16 12.163 -7.887 -1.908 1.00 0.00 C ATOM 199 CG LYS A 16 12.607 -7.493 -3.306 1.00 0.00 C ATOM 200 CD LYS A 16 13.808 -8.307 -3.759 1.00 0.00 C ATOM 201 CE LYS A 16 15.076 -7.878 -3.038 1.00 0.00 C ATOM 202 NZ LYS A 16 16.300 -8.385 -3.717 1.00 0.00 N ATOM 0 H LYS A 16 13.240 -6.322 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 16 10.838 -6.194 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.036 -8.189 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.509 -8.756 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.783 -7.638 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.857 -6.432 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.623 -9.365 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.943 -8.191 -4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.114 -6.790 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.052 -8.245 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.142 -8.071 -3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.277 -9.424 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.337 -8.015 -4.688 1.00 0.00 H new ATOM 216 N LYS A 17 9.325 -7.815 -0.567 1.00 0.00 N ATOM 217 CA LYS A 17 8.339 -8.415 0.325 1.00 0.00 C ATOM 218 C LYS A 17 7.787 -7.379 1.300 1.00 0.00 C ATOM 219 O LYS A 17 7.322 -7.722 2.387 1.00 0.00 O ATOM 220 CB LYS A 17 8.963 -9.578 1.100 1.00 0.00 C ATOM 221 CG LYS A 17 9.723 -10.556 0.220 1.00 0.00 C ATOM 222 CD LYS A 17 10.067 -11.831 0.972 1.00 0.00 C ATOM 223 CE LYS A 17 11.417 -11.722 1.665 1.00 0.00 C ATOM 224 NZ LYS A 17 11.677 -12.885 2.559 1.00 0.00 N ATOM 0 H LYS A 17 9.037 -7.771 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 17 7.516 -8.791 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.641 -9.179 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.176 -10.115 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.123 -10.800 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.638 -10.087 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.293 -12.039 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.080 -12.672 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.206 -11.657 0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.453 -10.801 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.606 -12.773 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.939 -12.933 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.668 -13.762 2.000 1.00 0.00 H new ATOM 238 N MET A 18 7.840 -6.112 0.903 1.00 0.00 N ATOM 239 CA MET A 18 7.343 -5.028 1.742 1.00 0.00 C ATOM 240 C MET A 18 6.158 -4.330 1.081 1.00 0.00 C ATOM 241 O MET A 18 5.703 -4.735 0.011 1.00 0.00 O ATOM 242 CB MET A 18 8.456 -4.016 2.018 1.00 0.00 C ATOM 243 CG MET A 18 8.623 -2.980 0.918 1.00 0.00 C ATOM 244 SD MET A 18 9.764 -1.660 1.374 1.00 0.00 S ATOM 245 CE MET A 18 9.750 -0.670 -0.119 1.00 0.00 C ATOM 0 H MET A 18 8.222 -5.811 0.006 1.00 0.00 H new ATOM 0 HA MET A 18 7.010 -5.457 2.687 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.246 -3.505 2.958 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.397 -4.550 2.149 1.00 0.00 H new ATOM 0 HG2 MET A 18 8.984 -3.471 0.014 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.651 -2.548 0.680 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.859 0.383 0.142 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.576 -0.971 -0.763 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.807 -0.818 -0.645 1.00 0.00 H new ATOM 255 N LYS A 19 5.662 -3.278 1.725 1.00 0.00 N ATOM 256 CA LYS A 19 4.531 -2.523 1.200 1.00 0.00 C ATOM 257 C LYS A 19 4.925 -1.076 0.922 1.00 0.00 C ATOM 258 O LYS A 19 5.844 -0.541 1.545 1.00 0.00 O ATOM 259 CB LYS A 19 3.362 -2.563 2.187 1.00 0.00 C ATOM 260 CG LYS A 19 2.678 -3.917 2.264 1.00 0.00 C ATOM 261 CD LYS A 19 2.106 -4.329 0.918 1.00 0.00 C ATOM 262 CE LYS A 19 1.286 -5.606 1.028 1.00 0.00 C ATOM 263 NZ LYS A 19 2.151 -6.811 1.162 1.00 0.00 N ATOM 0 H LYS A 19 6.026 -2.929 2.612 1.00 0.00 H new ATOM 0 HA LYS A 19 4.223 -2.984 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.725 -2.292 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.628 -1.810 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.392 -4.668 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.879 -3.881 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.481 -3.527 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.918 -4.477 0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.622 -5.538 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.654 -5.709 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.555 -7.660 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.767 -6.891 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.736 -6.725 2.018 1.00 0.00 H new ATOM 277 N LEU A 20 4.225 -0.447 -0.016 1.00 0.00 N ATOM 278 CA LEU A 20 4.501 0.940 -0.375 1.00 0.00 C ATOM 279 C LEU A 20 3.392 1.505 -1.256 1.00 0.00 C ATOM 280 O LEU A 20 2.837 0.801 -2.100 1.00 0.00 O ATOM 281 CB LEU A 20 5.845 1.042 -1.099 1.00 0.00 C ATOM 282 CG LEU A 20 5.790 0.992 -2.627 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.665 2.393 -3.203 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.022 0.293 -3.182 1.00 0.00 C ATOM 0 H LEU A 20 3.463 -0.875 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 20 4.544 1.526 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.325 1.975 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.485 0.231 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 20 4.909 0.421 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.627 2.337 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.752 2.859 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.526 2.989 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.966 0.267 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.917 0.836 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.067 -0.725 -2.796 1.00 0.00 H new ATOM 296 N GLU A 21 3.076 2.781 -1.056 1.00 0.00 N ATOM 297 CA GLU A 21 2.033 3.440 -1.833 1.00 0.00 C ATOM 298 C GLU A 21 2.569 3.890 -3.189 1.00 0.00 C ATOM 299 O GLU A 21 3.436 4.761 -3.269 1.00 0.00 O ATOM 300 CB GLU A 21 1.478 4.642 -1.067 1.00 0.00 C ATOM 301 CG GLU A 21 0.747 4.265 0.211 1.00 0.00 C ATOM 302 CD GLU A 21 0.034 5.444 0.844 1.00 0.00 C ATOM 303 OE1 GLU A 21 0.376 6.597 0.507 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.866 5.213 1.679 1.00 0.00 O ATOM 0 H GLU A 21 3.527 3.378 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 21 1.230 2.722 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.299 5.316 -0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.797 5.193 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.022 3.481 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.460 3.850 0.924 1.00 0.00 H new ATOM 311 N VAL A 22 2.046 3.291 -4.254 1.00 0.00 N ATOM 312 CA VAL A 22 2.470 3.629 -5.608 1.00 0.00 C ATOM 313 C VAL A 22 1.361 4.347 -6.368 1.00 0.00 C ATOM 314 O VAL A 22 0.189 3.985 -6.266 1.00 0.00 O ATOM 315 CB VAL A 22 2.888 2.374 -6.396 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.367 2.752 -7.789 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.965 1.607 -5.643 1.00 0.00 C ATOM 0 H VAL A 22 1.327 2.569 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 22 3.330 4.292 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 22 2.018 1.726 -6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.658 1.852 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.563 3.255 -8.326 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.224 3.421 -7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.249 0.723 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.838 2.246 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.581 1.302 -4.669 1.00 0.00 H new ATOM 327 N VAL A 23 1.738 5.368 -7.131 1.00 0.00 N ATOM 328 CA VAL A 23 0.776 6.136 -7.911 1.00 0.00 C ATOM 329 C VAL A 23 0.438 5.429 -9.219 1.00 0.00 C ATOM 330 O VAL A 23 1.325 5.108 -10.010 1.00 0.00 O ATOM 331 CB VAL A 23 1.307 7.547 -8.226 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.316 8.311 -9.090 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.600 8.305 -6.939 1.00 0.00 C ATOM 0 H VAL A 23 2.704 5.682 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.125 6.222 -7.304 1.00 0.00 H new ATOM 0 HB VAL A 23 2.238 7.449 -8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.709 9.305 -9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.161 7.775 -10.026 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.633 8.401 -8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.974 9.300 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.685 8.394 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.350 7.765 -6.362 1.00 0.00 H new ATOM 343 N ASP A 24 -0.850 5.190 -9.440 1.00 0.00 N ATOM 344 CA ASP A 24 -1.306 4.521 -10.653 1.00 0.00 C ATOM 345 C ASP A 24 -0.974 5.352 -11.888 1.00 0.00 C ATOM 346 O ASP A 24 -1.505 6.448 -12.074 1.00 0.00 O ATOM 347 CB ASP A 24 -2.813 4.266 -10.584 1.00 0.00 C ATOM 348 CG ASP A 24 -3.276 3.253 -11.613 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.574 2.238 -11.804 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.340 3.476 -12.226 1.00 0.00 O ATOM 0 H ASP A 24 -1.597 5.449 -8.795 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.787 3.566 -10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.073 3.912 -9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.345 5.205 -10.738 1.00 0.00 H new ATOM 355 N LYS A 25 -0.093 4.825 -12.730 1.00 0.00 N ATOM 356 CA LYS A 25 0.311 5.516 -13.949 1.00 0.00 C ATOM 357 C LYS A 25 -0.903 6.067 -14.690 1.00 0.00 C ATOM 358 O LYS A 25 -1.001 7.270 -14.931 1.00 0.00 O ATOM 359 CB LYS A 25 1.092 4.569 -14.863 1.00 0.00 C ATOM 360 CG LYS A 25 1.856 3.492 -14.112 1.00 0.00 C ATOM 361 CD LYS A 25 2.681 4.080 -12.979 1.00 0.00 C ATOM 362 CE LYS A 25 4.016 4.610 -13.480 1.00 0.00 C ATOM 363 NZ LYS A 25 4.877 3.523 -14.023 1.00 0.00 N ATOM 0 H LYS A 25 0.356 3.920 -12.591 1.00 0.00 H new ATOM 0 HA LYS A 25 0.953 6.351 -13.667 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.399 4.094 -15.557 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.794 5.151 -15.461 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.155 2.760 -13.711 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.511 2.961 -14.803 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.124 4.886 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.853 3.318 -12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.842 5.357 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.536 5.112 -12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.873 3.820 -13.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.753 2.663 -13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.607 3.326 -15.008 1.00 0.00 H new ATOM 377 N ARG A 26 -1.826 5.180 -15.046 1.00 0.00 N ATOM 378 CA ARG A 26 -3.034 5.578 -15.759 1.00 0.00 C ATOM 379 C ARG A 26 -3.847 6.573 -14.936 1.00 0.00 C ATOM 380 O ARG A 26 -4.577 7.397 -15.485 1.00 0.00 O ATOM 381 CB ARG A 26 -3.887 4.351 -16.085 1.00 0.00 C ATOM 382 CG ARG A 26 -3.086 3.065 -16.200 1.00 0.00 C ATOM 383 CD ARG A 26 -3.895 1.961 -16.863 1.00 0.00 C ATOM 384 NE ARG A 26 -4.292 2.315 -18.223 1.00 0.00 N ATOM 385 CZ ARG A 26 -4.725 1.432 -19.116 1.00 0.00 C ATOM 386 NH1 ARG A 26 -4.816 0.149 -18.794 1.00 0.00 N ATOM 387 NH2 ARG A 26 -5.068 1.832 -20.334 1.00 0.00 N ATOM 0 H ARG A 26 -1.761 4.181 -14.852 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.735 6.061 -16.689 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.644 4.229 -15.310 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.415 4.525 -17.022 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.180 3.250 -16.777 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.772 2.741 -15.208 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.307 1.043 -16.884 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.785 1.756 -16.267 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.234 3.294 -18.503 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.553 -0.162 -17.859 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.149 -0.527 -19.482 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.999 2.818 -20.585 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.400 1.153 -21.019 1.00 0.00 H new ATOM 401 N ASN A 27 -3.716 6.488 -13.617 1.00 0.00 N ATOM 402 CA ASN A 27 -4.440 7.380 -12.718 1.00 0.00 C ATOM 403 C ASN A 27 -3.506 7.965 -11.663 1.00 0.00 C ATOM 404 O ASN A 27 -3.293 7.387 -10.597 1.00 0.00 O ATOM 405 CB ASN A 27 -5.589 6.632 -12.039 1.00 0.00 C ATOM 406 CG ASN A 27 -6.880 6.713 -12.830 1.00 0.00 C ATOM 407 OD1 ASN A 27 -7.264 7.783 -13.303 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.556 5.580 -12.977 1.00 0.00 N ATOM 0 H ASN A 27 -3.116 5.811 -13.146 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.848 8.199 -13.311 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.311 5.586 -11.909 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.750 7.045 -11.043 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.432 5.573 -13.500 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.199 4.717 -12.567 1.00 0.00 H new ATOM 415 N PRO A 28 -2.934 9.141 -11.965 1.00 0.00 N ATOM 416 CA PRO A 28 -2.014 9.831 -11.056 1.00 0.00 C ATOM 417 C PRO A 28 -2.722 10.381 -9.823 1.00 0.00 C ATOM 418 O PRO A 28 -2.097 10.610 -8.788 1.00 0.00 O ATOM 419 CB PRO A 28 -1.463 10.975 -11.911 1.00 0.00 C ATOM 420 CG PRO A 28 -2.515 11.224 -12.935 1.00 0.00 C ATOM 421 CD PRO A 28 -3.143 9.887 -13.218 1.00 0.00 C ATOM 0 HA PRO A 28 -1.246 9.162 -10.668 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.278 11.865 -11.309 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.516 10.701 -12.375 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.257 11.933 -12.568 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.085 11.652 -13.840 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.202 9.983 -13.457 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.669 9.391 -14.065 1.00 0.00 H new ATOM 429 N MET A 29 -4.029 10.590 -9.940 1.00 0.00 N ATOM 430 CA MET A 29 -4.822 11.111 -8.833 1.00 0.00 C ATOM 431 C MET A 29 -5.343 9.977 -7.956 1.00 0.00 C ATOM 432 O MET A 29 -6.247 10.173 -7.143 1.00 0.00 O ATOM 433 CB MET A 29 -5.993 11.941 -9.363 1.00 0.00 C ATOM 434 CG MET A 29 -5.567 13.246 -10.017 1.00 0.00 C ATOM 435 SD MET A 29 -6.899 14.021 -10.952 1.00 0.00 S ATOM 436 CE MET A 29 -6.107 14.252 -12.542 1.00 0.00 C ATOM 0 H MET A 29 -4.561 10.407 -10.790 1.00 0.00 H new ATOM 0 HA MET A 29 -4.179 11.749 -8.227 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.551 11.347 -10.087 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.673 12.162 -8.540 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.218 13.936 -9.249 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.724 13.057 -10.682 1.00 0.00 H new ATOM 0 HE1 MET A 29 -6.807 14.723 -13.232 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.231 14.889 -12.423 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.801 13.285 -12.940 1.00 0.00 H new ATOM 446 N PHE A 30 -4.767 8.792 -8.125 1.00 0.00 N ATOM 447 CA PHE A 30 -5.175 7.626 -7.349 1.00 0.00 C ATOM 448 C PHE A 30 -3.958 6.842 -6.867 1.00 0.00 C ATOM 449 O PHE A 30 -3.084 6.484 -7.657 1.00 0.00 O ATOM 450 CB PHE A 30 -6.080 6.721 -8.187 1.00 0.00 C ATOM 451 CG PHE A 30 -7.436 7.310 -8.453 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.622 8.216 -9.484 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.525 6.956 -7.672 1.00 0.00 C ATOM 454 CE1 PHE A 30 -8.869 8.760 -9.730 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.774 7.496 -7.913 1.00 0.00 C ATOM 456 CZ PHE A 30 -9.946 8.399 -8.945 1.00 0.00 C ATOM 0 H PHE A 30 -4.016 8.613 -8.792 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.729 7.975 -6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.591 6.512 -9.138 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.201 5.767 -7.674 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.784 8.501 -10.103 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.396 6.250 -6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.001 9.467 -10.536 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.614 7.213 -7.296 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.921 8.822 -9.137 1.00 0.00 H new ATOM 466 N ILE A 31 -3.910 6.578 -5.565 1.00 0.00 N ATOM 467 CA ILE A 31 -2.801 5.836 -4.977 1.00 0.00 C ATOM 468 C ILE A 31 -3.302 4.621 -4.205 1.00 0.00 C ATOM 469 O ILE A 31 -4.271 4.708 -3.451 1.00 0.00 O ATOM 470 CB ILE A 31 -1.968 6.723 -4.033 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.406 7.927 -4.793 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.843 5.915 -3.403 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.075 9.103 -3.901 1.00 0.00 C ATOM 0 H ILE A 31 -4.626 6.867 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.170 5.505 -5.802 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.616 7.090 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.506 7.622 -5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.130 8.243 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.263 6.555 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.265 5.087 -2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.194 5.523 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.682 9.920 -4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.977 9.434 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.327 8.803 -3.166 1.00 0.00 H new ATOM 485 N ARG A 32 -2.634 3.488 -4.397 1.00 0.00 N ATOM 486 CA ARG A 32 -3.011 2.254 -3.717 1.00 0.00 C ATOM 487 C ARG A 32 -1.784 1.554 -3.141 1.00 0.00 C ATOM 488 O ARG A 32 -0.654 2.006 -3.327 1.00 0.00 O ATOM 489 CB ARG A 32 -3.740 1.318 -4.682 1.00 0.00 C ATOM 490 CG ARG A 32 -4.959 1.946 -5.337 1.00 0.00 C ATOM 491 CD ARG A 32 -5.216 1.359 -6.716 1.00 0.00 C ATOM 492 NE ARG A 32 -5.885 0.062 -6.643 1.00 0.00 N ATOM 493 CZ ARG A 32 -6.626 -0.438 -7.625 1.00 0.00 C ATOM 494 NH1 ARG A 32 -6.792 0.245 -8.749 1.00 0.00 N ATOM 495 NH2 ARG A 32 -7.203 -1.625 -7.483 1.00 0.00 N ATOM 0 H ARG A 32 -1.829 3.399 -5.018 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.680 2.511 -2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.045 0.998 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.049 0.423 -4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.834 1.790 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.814 3.023 -5.420 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.828 2.050 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.270 1.249 -7.245 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.777 -0.489 -5.792 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.350 1.157 -8.861 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.362 -0.142 -9.501 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.077 -2.153 -6.619 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.772 -2.009 -8.237 1.00 0.00 H new ATOM 509 N VAL A 33 -2.014 0.449 -2.440 1.00 0.00 N ATOM 510 CA VAL A 33 -0.928 -0.314 -1.837 1.00 0.00 C ATOM 511 C VAL A 33 -0.160 -1.105 -2.890 1.00 0.00 C ATOM 512 O VAL A 33 -0.727 -1.530 -3.897 1.00 0.00 O ATOM 513 CB VAL A 33 -1.453 -1.286 -0.763 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.357 -2.249 -0.332 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.998 -0.516 0.431 1.00 0.00 C ATOM 0 H VAL A 33 -2.943 0.062 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.258 0.407 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.267 -1.870 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.747 -2.928 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.018 -2.824 -1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.480 -1.686 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.365 -1.218 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.205 0.094 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.815 0.128 0.106 1.00 0.00 H new ATOM 525 N ALA A 34 1.133 -1.299 -2.651 1.00 0.00 N ATOM 526 CA ALA A 34 1.978 -2.041 -3.579 1.00 0.00 C ATOM 527 C ALA A 34 2.916 -2.983 -2.832 1.00 0.00 C ATOM 528 O ALA A 34 3.151 -2.823 -1.634 1.00 0.00 O ATOM 529 CB ALA A 34 2.774 -1.081 -4.450 1.00 0.00 C ATOM 0 H ALA A 34 1.618 -0.953 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 34 1.333 -2.644 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.401 -1.648 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.089 -0.452 -5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.404 -0.454 -3.819 1.00 0.00 H new ATOM 535 N THR A 35 3.450 -3.969 -3.548 1.00 0.00 N ATOM 536 CA THR A 35 4.360 -4.938 -2.953 1.00 0.00 C ATOM 537 C THR A 35 5.619 -5.100 -3.797 1.00 0.00 C ATOM 538 O THR A 35 5.561 -5.571 -4.933 1.00 0.00 O ATOM 539 CB THR A 35 3.687 -6.314 -2.787 1.00 0.00 C ATOM 540 OG1 THR A 35 2.495 -6.184 -2.003 1.00 0.00 O ATOM 541 CG2 THR A 35 4.632 -7.303 -2.122 1.00 0.00 C ATOM 0 H THR A 35 3.267 -4.116 -4.541 1.00 0.00 H new ATOM 0 HA THR A 35 4.631 -4.554 -1.970 1.00 0.00 H new ATOM 0 HB THR A 35 3.432 -6.691 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.072 -7.062 -1.903 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.134 -8.267 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.525 -7.422 -2.735 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.915 -6.930 -1.138 1.00 0.00 H new ATOM 549 N VAL A 36 6.758 -4.708 -3.235 1.00 0.00 N ATOM 550 CA VAL A 36 8.032 -4.812 -3.935 1.00 0.00 C ATOM 551 C VAL A 36 8.408 -6.269 -4.180 1.00 0.00 C ATOM 552 O VAL A 36 8.866 -6.963 -3.273 1.00 0.00 O ATOM 553 CB VAL A 36 9.164 -4.127 -3.147 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.435 -4.066 -3.980 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.739 -2.734 -2.706 1.00 0.00 C ATOM 0 H VAL A 36 6.824 -4.315 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 36 7.908 -4.306 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 36 9.371 -4.719 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.223 -3.579 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.748 -5.077 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.246 -3.499 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.551 -2.265 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.503 -2.131 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.858 -2.807 -2.068 1.00 0.00 H new ATOM 565 N ALA A 37 8.212 -6.726 -5.413 1.00 0.00 N ATOM 566 CA ALA A 37 8.533 -8.100 -5.778 1.00 0.00 C ATOM 567 C ALA A 37 10.031 -8.272 -6.004 1.00 0.00 C ATOM 568 O ALA A 37 10.657 -9.161 -5.426 1.00 0.00 O ATOM 569 CB ALA A 37 7.758 -8.510 -7.022 1.00 0.00 C ATOM 0 H ALA A 37 7.833 -6.165 -6.175 1.00 0.00 H new ATOM 0 HA ALA A 37 8.241 -8.748 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.007 -9.538 -7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.688 -8.435 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.022 -7.851 -7.849 1.00 0.00 H new ATOM 575 N ASP A 38 10.599 -7.419 -6.849 1.00 0.00 N ATOM 576 CA ASP A 38 12.024 -7.477 -7.152 1.00 0.00 C ATOM 577 C ASP A 38 12.631 -6.077 -7.178 1.00 0.00 C ATOM 578 O ASP A 38 12.005 -5.125 -7.646 1.00 0.00 O ATOM 579 CB ASP A 38 12.254 -8.171 -8.495 1.00 0.00 C ATOM 580 CG ASP A 38 13.589 -8.888 -8.555 1.00 0.00 C ATOM 581 OD1 ASP A 38 13.688 -10.002 -8.000 1.00 0.00 O ATOM 582 OD2 ASP A 38 14.533 -8.335 -9.155 1.00 0.00 O ATOM 0 H ASP A 38 10.094 -6.679 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 38 12.514 -8.052 -6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.452 -8.887 -8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.205 -7.433 -9.295 1.00 0.00 H new ATOM 587 N THR A 39 13.855 -5.959 -6.672 1.00 0.00 N ATOM 588 CA THR A 39 14.546 -4.677 -6.636 1.00 0.00 C ATOM 589 C THR A 39 15.772 -4.687 -7.541 1.00 0.00 C ATOM 590 O THR A 39 16.757 -5.370 -7.260 1.00 0.00 O ATOM 591 CB THR A 39 14.982 -4.314 -5.203 1.00 0.00 C ATOM 592 OG1 THR A 39 15.747 -5.385 -4.639 1.00 0.00 O ATOM 593 CG2 THR A 39 13.774 -4.029 -4.325 1.00 0.00 C ATOM 0 H THR A 39 14.388 -6.736 -6.282 1.00 0.00 H new ATOM 0 HA THR A 39 13.840 -3.928 -6.994 1.00 0.00 H new ATOM 0 HB THR A 39 15.596 -3.414 -5.250 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.302 -5.793 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.107 -3.775 -3.319 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.210 -3.194 -4.742 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.137 -4.913 -4.284 1.00 0.00 H new ATOM 601 N ASP A 40 15.706 -3.925 -8.628 1.00 0.00 N ATOM 602 CA ASP A 40 16.812 -3.845 -9.574 1.00 0.00 C ATOM 603 C ASP A 40 17.866 -2.851 -9.096 1.00 0.00 C ATOM 604 O ASP A 40 17.752 -2.286 -8.008 1.00 0.00 O ATOM 605 CB ASP A 40 16.300 -3.439 -10.957 1.00 0.00 C ATOM 606 CG ASP A 40 17.214 -3.906 -12.073 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.916 -4.922 -11.880 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.228 -3.257 -13.139 1.00 0.00 O ATOM 0 H ASP A 40 14.898 -3.354 -8.875 1.00 0.00 H new ATOM 0 HA ASP A 40 17.272 -4.831 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.304 -3.855 -11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.203 -2.354 -11.001 1.00 0.00 H new ATOM 613 N ASP A 41 18.890 -2.642 -9.916 1.00 0.00 N ATOM 614 CA ASP A 41 19.964 -1.715 -9.577 1.00 0.00 C ATOM 615 C ASP A 41 19.400 -0.394 -9.063 1.00 0.00 C ATOM 616 O ASP A 41 19.617 -0.021 -7.910 1.00 0.00 O ATOM 617 CB ASP A 41 20.854 -1.465 -10.795 1.00 0.00 C ATOM 618 CG ASP A 41 21.847 -2.586 -11.027 1.00 0.00 C ATOM 619 OD1 ASP A 41 21.448 -3.765 -10.913 1.00 0.00 O ATOM 620 OD2 ASP A 41 23.022 -2.286 -11.325 1.00 0.00 O ATOM 0 H ASP A 41 18.999 -3.102 -10.820 1.00 0.00 H new ATOM 0 HA ASP A 41 20.563 -2.165 -8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.229 -1.349 -11.680 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.394 -0.528 -10.660 1.00 0.00 H new ATOM 625 N HIS A 42 18.676 0.311 -9.927 1.00 0.00 N ATOM 626 CA HIS A 42 18.081 1.591 -9.561 1.00 0.00 C ATOM 627 C HIS A 42 16.577 1.584 -9.817 1.00 0.00 C ATOM 628 O HIS A 42 15.981 2.624 -10.100 1.00 0.00 O ATOM 629 CB HIS A 42 18.739 2.726 -10.346 1.00 0.00 C ATOM 630 CG HIS A 42 20.201 2.516 -10.592 1.00 0.00 C ATOM 631 ND1 HIS A 42 20.845 1.691 -11.450 1.00 0.00 N flip ATOM 632 CD2 HIS A 42 21.185 3.199 -9.909 1.00 0.00 C flip ATOM 633 CE1 HIS A 42 22.192 1.890 -11.273 1.00 0.00 C flip ATOM 634 NE2 HIS A 42 22.371 2.805 -10.338 1.00 0.00 N flip ATOM 0 H HIS A 42 18.487 0.017 -10.885 1.00 0.00 H new ATOM 0 HA HIS A 42 18.249 1.751 -8.496 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.230 2.837 -11.304 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.601 3.660 -9.802 1.00 0.00 H new ATOM 0 HD2 HIS A 42 21.013 3.940 -9.143 1.00 0.00 H new ATOM 0 HE1 HIS A 42 22.978 1.381 -11.811 1.00 0.00 H new ATOM 0 HE2 HIS A 42 23.271 3.149 -10.004 1.00 0.00 H new ATOM 643 N ARG A 43 15.970 0.407 -9.716 1.00 0.00 N ATOM 644 CA ARG A 43 14.536 0.265 -9.938 1.00 0.00 C ATOM 645 C ARG A 43 13.949 -0.812 -9.030 1.00 0.00 C ATOM 646 O ARG A 43 14.681 -1.568 -8.392 1.00 0.00 O ATOM 647 CB ARG A 43 14.257 -0.080 -11.403 1.00 0.00 C ATOM 648 CG ARG A 43 14.997 0.808 -12.389 1.00 0.00 C ATOM 649 CD ARG A 43 14.319 0.815 -13.750 1.00 0.00 C ATOM 650 NE ARG A 43 15.035 1.645 -14.715 1.00 0.00 N ATOM 651 CZ ARG A 43 14.767 1.658 -16.016 1.00 0.00 C ATOM 652 NH1 ARG A 43 13.804 0.889 -16.505 1.00 0.00 N ATOM 653 NH2 ARG A 43 15.463 2.441 -16.830 1.00 0.00 N ATOM 0 H ARG A 43 16.449 -0.463 -9.482 1.00 0.00 H new ATOM 0 HA ARG A 43 14.061 1.216 -9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.536 -1.118 -11.582 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.186 -0.001 -11.589 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.044 1.825 -12.000 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.024 0.459 -12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.254 -0.205 -14.128 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.298 1.181 -13.644 1.00 0.00 H new ATOM 0 HE ARG A 43 15.782 2.248 -14.371 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.267 0.286 -15.882 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.600 0.901 -17.504 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.205 3.034 -16.457 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.257 2.450 -17.829 1.00 0.00 H new ATOM 667 N VAL A 44 12.622 -0.875 -8.977 1.00 0.00 N ATOM 668 CA VAL A 44 11.936 -1.858 -8.148 1.00 0.00 C ATOM 669 C VAL A 44 10.569 -2.208 -8.727 1.00 0.00 C ATOM 670 O VAL A 44 9.713 -1.339 -8.897 1.00 0.00 O ATOM 671 CB VAL A 44 11.755 -1.349 -6.706 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.106 -1.100 -6.054 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.905 -0.087 -6.690 1.00 0.00 C ATOM 0 H VAL A 44 12.001 -0.256 -9.499 1.00 0.00 H new ATOM 0 HA VAL A 44 12.561 -2.751 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 44 11.237 -2.116 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.958 -0.741 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.676 -2.029 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.654 -0.352 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.787 0.259 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.393 0.688 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.925 -0.303 -7.115 1.00 0.00 H new ATOM 683 N LYS A 45 10.371 -3.487 -9.029 1.00 0.00 N ATOM 684 CA LYS A 45 9.108 -3.954 -9.588 1.00 0.00 C ATOM 685 C LYS A 45 8.003 -3.922 -8.537 1.00 0.00 C ATOM 686 O LYS A 45 8.009 -4.710 -7.592 1.00 0.00 O ATOM 687 CB LYS A 45 9.263 -5.374 -10.137 1.00 0.00 C ATOM 688 CG LYS A 45 8.103 -5.819 -11.011 1.00 0.00 C ATOM 689 CD LYS A 45 8.442 -7.080 -11.788 1.00 0.00 C ATOM 690 CE LYS A 45 7.560 -7.231 -13.017 1.00 0.00 C ATOM 691 NZ LYS A 45 7.826 -8.506 -13.738 1.00 0.00 N ATOM 0 H LYS A 45 11.069 -4.219 -8.896 1.00 0.00 H new ATOM 0 HA LYS A 45 8.831 -3.285 -10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.185 -5.432 -10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.365 -6.068 -9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.226 -5.998 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.843 -5.021 -11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.489 -7.051 -12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.321 -7.950 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.512 -7.194 -12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.729 -6.391 -13.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.205 -8.571 -14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.819 -8.530 -14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.640 -9.309 -13.104 1.00 0.00 H new ATOM 705 N VAL A 46 7.054 -3.006 -8.709 1.00 0.00 N ATOM 706 CA VAL A 46 5.941 -2.874 -7.777 1.00 0.00 C ATOM 707 C VAL A 46 4.732 -3.675 -8.247 1.00 0.00 C ATOM 708 O VAL A 46 4.192 -3.428 -9.327 1.00 0.00 O ATOM 709 CB VAL A 46 5.530 -1.400 -7.600 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.558 -0.656 -6.761 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.350 -0.731 -8.954 1.00 0.00 C ATOM 0 H VAL A 46 7.034 -2.345 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 46 6.282 -3.266 -6.819 1.00 0.00 H new ATOM 0 HB VAL A 46 4.575 -1.368 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.251 0.384 -6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.632 -1.123 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.529 -0.695 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.060 0.310 -8.810 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.288 -0.773 -9.508 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.573 -1.250 -9.516 1.00 0.00 H new ATOM 721 N HIS A 47 4.311 -4.634 -7.430 1.00 0.00 N ATOM 722 CA HIS A 47 3.163 -5.472 -7.762 1.00 0.00 C ATOM 723 C HIS A 47 1.943 -5.072 -6.938 1.00 0.00 C ATOM 724 O HIS A 47 1.970 -5.117 -5.708 1.00 0.00 O ATOM 725 CB HIS A 47 3.494 -6.945 -7.523 1.00 0.00 C ATOM 726 CG HIS A 47 2.295 -7.841 -7.553 1.00 0.00 C ATOM 727 ND1 HIS A 47 2.011 -8.683 -8.607 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.304 -8.025 -6.649 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.896 -9.345 -8.351 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.448 -8.964 -7.169 1.00 0.00 N ATOM 0 H HIS A 47 4.747 -4.851 -6.534 1.00 0.00 H new ATOM 0 HA HIS A 47 2.931 -5.327 -8.817 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.204 -7.277 -8.280 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.988 -7.046 -6.557 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.573 -8.780 -9.452 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.205 -7.526 -5.696 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.431 -10.073 -8.998 1.00 0.00 H new ATOM 739 N PHE A 48 0.874 -4.682 -7.624 1.00 0.00 N ATOM 740 CA PHE A 48 -0.356 -4.272 -6.955 1.00 0.00 C ATOM 741 C PHE A 48 -1.204 -5.486 -6.587 1.00 0.00 C ATOM 742 O PHE A 48 -2.013 -5.957 -7.387 1.00 0.00 O ATOM 743 CB PHE A 48 -1.159 -3.328 -7.852 1.00 0.00 C ATOM 744 CG PHE A 48 -0.580 -1.944 -7.936 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.739 -1.753 -8.317 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.353 -0.836 -7.634 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.275 -0.481 -8.396 1.00 0.00 C ATOM 748 CE2 PHE A 48 -0.823 0.438 -7.711 1.00 0.00 C ATOM 749 CZ PHE A 48 0.493 0.616 -8.091 1.00 0.00 C ATOM 0 H PHE A 48 0.834 -4.641 -8.642 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.085 -3.748 -6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.214 -3.752 -8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.180 -3.264 -7.477 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.355 -2.608 -8.555 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.382 -0.969 -7.335 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.304 -0.345 -8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.437 1.294 -7.474 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.910 1.611 -8.150 1.00 0.00 H new ATOM 759 N ASP A 49 -1.013 -5.987 -5.372 1.00 0.00 N ATOM 760 CA ASP A 49 -1.761 -7.146 -4.896 1.00 0.00 C ATOM 761 C ASP A 49 -3.237 -7.028 -5.263 1.00 0.00 C ATOM 762 O ASP A 49 -3.856 -5.984 -5.061 1.00 0.00 O ATOM 763 CB ASP A 49 -1.608 -7.291 -3.381 1.00 0.00 C ATOM 764 CG ASP A 49 -1.684 -8.735 -2.928 1.00 0.00 C ATOM 765 OD1 ASP A 49 -0.625 -9.396 -2.872 1.00 0.00 O ATOM 766 OD2 ASP A 49 -2.801 -9.205 -2.628 1.00 0.00 O ATOM 0 H ASP A 49 -0.347 -5.609 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.355 -8.034 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.653 -6.866 -3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.388 -6.715 -2.883 1.00 0.00 H new ATOM 771 N GLY A 50 -3.795 -8.106 -5.804 1.00 0.00 N ATOM 772 CA GLY A 50 -5.194 -8.102 -6.192 1.00 0.00 C ATOM 773 C GLY A 50 -5.383 -7.880 -7.679 1.00 0.00 C ATOM 774 O GLY A 50 -6.270 -8.471 -8.294 1.00 0.00 O ATOM 0 H GLY A 50 -3.304 -8.982 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.649 -9.051 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.718 -7.321 -5.642 1.00 0.00 H new ATOM 778 N TRP A 51 -4.549 -7.024 -8.258 1.00 0.00 N ATOM 779 CA TRP A 51 -4.630 -6.723 -9.683 1.00 0.00 C ATOM 780 C TRP A 51 -4.414 -7.980 -10.518 1.00 0.00 C ATOM 781 O TRP A 51 -3.988 -9.013 -10.002 1.00 0.00 O ATOM 782 CB TRP A 51 -3.595 -5.661 -10.060 1.00 0.00 C ATOM 783 CG TRP A 51 -3.886 -4.313 -9.473 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.250 -4.042 -8.185 1.00 0.00 C ATOM 785 CD2 TRP A 51 -3.839 -3.054 -10.152 1.00 0.00 C ATOM 786 NE1 TRP A 51 -4.432 -2.690 -8.022 1.00 0.00 N ATOM 787 CE2 TRP A 51 -4.185 -2.062 -9.214 1.00 0.00 C ATOM 788 CE3 TRP A 51 -3.537 -2.668 -11.461 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -4.238 -0.710 -9.546 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -3.589 -1.326 -11.788 1.00 0.00 C ATOM 791 CH2 TRP A 51 -3.937 -0.361 -10.834 1.00 0.00 C ATOM 0 H TRP A 51 -3.809 -6.526 -7.763 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.628 -6.338 -9.892 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.610 -5.989 -9.727 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.552 -5.575 -11.146 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.376 -4.782 -7.408 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -4.706 -2.229 -7.155 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.268 -3.405 -12.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.507 0.036 -8.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.357 -1.016 -12.796 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.968 0.680 -11.121 1.00 0.00 H new ATOM 802 N ASN A 52 -4.709 -7.886 -11.810 1.00 0.00 N ATOM 803 CA ASN A 52 -4.547 -9.017 -12.716 1.00 0.00 C ATOM 804 C ASN A 52 -3.626 -8.656 -13.877 1.00 0.00 C ATOM 805 O ASN A 52 -3.049 -7.570 -13.911 1.00 0.00 O ATOM 806 CB ASN A 52 -5.908 -9.467 -13.251 1.00 0.00 C ATOM 807 CG ASN A 52 -5.959 -10.960 -13.516 1.00 0.00 C ATOM 808 OD1 ASN A 52 -4.958 -11.662 -13.374 1.00 0.00 O ATOM 809 ND2 ASN A 52 -7.130 -11.451 -13.904 1.00 0.00 N ATOM 0 H ASN A 52 -5.062 -7.038 -12.253 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.094 -9.836 -12.158 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.684 -9.201 -12.533 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.129 -8.929 -14.173 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.226 -12.448 -14.098 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.933 -10.831 -14.008 1.00 0.00 H new ATOM 816 N ASN A 53 -3.494 -9.575 -14.829 1.00 0.00 N ATOM 817 CA ASN A 53 -2.643 -9.354 -15.992 1.00 0.00 C ATOM 818 C ASN A 53 -1.303 -8.751 -15.580 1.00 0.00 C ATOM 819 O ASN A 53 -0.822 -7.800 -16.197 1.00 0.00 O ATOM 820 CB ASN A 53 -3.342 -8.433 -16.994 1.00 0.00 C ATOM 821 CG ASN A 53 -2.768 -8.557 -18.392 1.00 0.00 C ATOM 822 OD1 ASN A 53 -3.502 -9.225 -19.275 1.00 0.00 O flip ATOM 823 ND2 ASN A 53 -1.679 -8.058 -18.675 1.00 0.00 N flip ATOM 0 H ASN A 53 -3.966 -10.479 -14.817 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.457 -10.319 -16.463 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.406 -8.669 -17.019 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.252 -7.400 -16.658 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.149 -7.553 -17.964 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.306 -8.149 -19.620 1.00 0.00 H new ATOM 830 N CYS A 54 -0.706 -9.311 -14.534 1.00 0.00 N ATOM 831 CA CYS A 54 0.578 -8.829 -14.038 1.00 0.00 C ATOM 832 C CYS A 54 0.708 -7.323 -14.238 1.00 0.00 C ATOM 833 O CYS A 54 1.787 -6.818 -14.549 1.00 0.00 O ATOM 834 CB CYS A 54 1.725 -9.550 -14.748 1.00 0.00 C ATOM 835 SG CYS A 54 2.281 -11.055 -13.912 1.00 0.00 S ATOM 0 H CYS A 54 -1.090 -10.099 -14.013 1.00 0.00 H new ATOM 0 HA CYS A 54 0.630 -9.041 -12.970 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.409 -9.805 -15.760 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.568 -8.866 -14.840 1.00 0.00 H new ATOM 0 HG CYS A 54 3.251 -11.594 -14.589 1.00 0.00 H new ATOM 841 N TYR A 55 -0.399 -6.610 -14.058 1.00 0.00 N ATOM 842 CA TYR A 55 -0.410 -5.162 -14.223 1.00 0.00 C ATOM 843 C TYR A 55 0.890 -4.545 -13.715 1.00 0.00 C ATOM 844 O TYR A 55 1.323 -3.498 -14.197 1.00 0.00 O ATOM 845 CB TYR A 55 -1.601 -4.552 -13.480 1.00 0.00 C ATOM 846 CG TYR A 55 -2.852 -4.450 -14.322 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.884 -3.654 -15.460 1.00 0.00 C ATOM 848 CD2 TYR A 55 -4.003 -5.149 -13.979 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.025 -3.557 -16.233 1.00 0.00 C ATOM 850 CE2 TYR A 55 -5.149 -5.059 -14.746 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.155 -4.261 -15.871 1.00 0.00 C ATOM 852 OH TYR A 55 -6.294 -4.168 -16.637 1.00 0.00 O ATOM 0 H TYR A 55 -1.300 -7.012 -13.798 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.503 -4.944 -15.287 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.815 -5.155 -12.597 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.328 -3.557 -13.128 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.001 -3.101 -15.746 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.002 -5.773 -13.098 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.032 -2.934 -17.115 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.035 -5.610 -14.466 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.998 -4.726 -16.245 1.00 0.00 H new ATOM 862 N ASP A 56 1.508 -5.204 -12.741 1.00 0.00 N ATOM 863 CA ASP A 56 2.760 -4.723 -12.168 1.00 0.00 C ATOM 864 C ASP A 56 3.661 -4.134 -13.249 1.00 0.00 C ATOM 865 O ASP A 56 3.511 -4.441 -14.432 1.00 0.00 O ATOM 866 CB ASP A 56 3.484 -5.860 -11.446 1.00 0.00 C ATOM 867 CG ASP A 56 2.525 -6.868 -10.844 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.576 -6.445 -10.151 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.722 -8.080 -11.068 1.00 0.00 O ATOM 0 H ASP A 56 1.163 -6.072 -12.332 1.00 0.00 H new ATOM 0 HA ASP A 56 2.525 -3.938 -11.449 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.147 -6.367 -12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.112 -5.444 -10.658 1.00 0.00 H new ATOM 874 N TYR A 57 4.596 -3.286 -12.835 1.00 0.00 N ATOM 875 CA TYR A 57 5.519 -2.652 -13.768 1.00 0.00 C ATOM 876 C TYR A 57 6.808 -2.238 -13.063 1.00 0.00 C ATOM 877 O TYR A 57 6.828 -2.043 -11.847 1.00 0.00 O ATOM 878 CB TYR A 57 4.864 -1.430 -14.415 1.00 0.00 C ATOM 879 CG TYR A 57 4.085 -0.575 -13.442 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.737 0.236 -12.521 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.695 -0.577 -13.444 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.029 1.018 -11.630 1.00 0.00 C ATOM 883 CE2 TYR A 57 1.978 0.204 -12.557 1.00 0.00 C ATOM 884 CZ TYR A 57 2.650 0.999 -11.652 1.00 0.00 C ATOM 885 OH TYR A 57 1.940 1.778 -10.767 1.00 0.00 O ATOM 0 H TYR A 57 4.734 -3.022 -11.860 1.00 0.00 H new ATOM 0 HA TYR A 57 5.767 -3.377 -14.543 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.636 -0.820 -14.884 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.195 -1.764 -15.208 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.817 0.255 -12.502 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.166 -1.199 -14.151 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.552 1.641 -10.920 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.898 0.192 -12.572 1.00 0.00 H new ATOM 0 HH TYR A 57 1.642 1.228 -10.013 1.00 0.00 H new ATOM 895 N TRP A 58 7.880 -2.106 -13.835 1.00 0.00 N ATOM 896 CA TRP A 58 9.173 -1.714 -13.285 1.00 0.00 C ATOM 897 C TRP A 58 9.232 -0.209 -13.049 1.00 0.00 C ATOM 898 O TRP A 58 9.316 0.573 -13.996 1.00 0.00 O ATOM 899 CB TRP A 58 10.301 -2.140 -14.228 1.00 0.00 C ATOM 900 CG TRP A 58 10.774 -3.542 -13.993 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.586 -4.619 -14.812 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.511 -4.020 -12.863 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.163 -5.737 -14.260 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.737 -5.396 -13.064 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.004 -3.419 -11.701 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.433 -6.178 -12.146 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.695 -4.197 -10.791 1.00 0.00 C ATOM 908 CH2 TRP A 58 12.905 -5.563 -11.017 1.00 0.00 C ATOM 0 H TRP A 58 7.880 -2.264 -14.843 1.00 0.00 H new ATOM 0 HA TRP A 58 9.300 -2.217 -12.326 1.00 0.00 H new ATOM 0 HB2 TRP A 58 9.958 -2.048 -15.258 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.141 -1.456 -14.110 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.061 -4.595 -15.755 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.164 -6.669 -14.674 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.848 -2.366 -11.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.595 -7.232 -12.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.080 -3.743 -9.890 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.450 -6.143 -10.287 1.00 0.00 H new ATOM 919 N ILE A 59 9.188 0.189 -11.783 1.00 0.00 N ATOM 920 CA ILE A 59 9.237 1.601 -11.424 1.00 0.00 C ATOM 921 C ILE A 59 10.536 1.939 -10.700 1.00 0.00 C ATOM 922 O ILE A 59 11.027 1.157 -9.886 1.00 0.00 O ATOM 923 CB ILE A 59 8.047 1.997 -10.530 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.884 3.518 -10.505 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.239 1.456 -9.122 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.547 3.973 -9.963 1.00 0.00 C ATOM 0 H ILE A 59 9.118 -0.446 -10.988 1.00 0.00 H new ATOM 0 HA ILE A 59 9.185 2.165 -12.355 1.00 0.00 H new ATOM 0 HB ILE A 59 7.139 1.560 -10.945 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.679 3.951 -9.898 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.008 3.905 -11.516 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.390 1.744 -8.502 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.311 0.369 -9.157 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.155 1.866 -8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.501 5.062 -9.975 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.747 3.570 -10.583 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.428 3.616 -8.940 1.00 0.00 H new ATOM 938 N ASP A 60 11.087 3.110 -11.002 1.00 0.00 N ATOM 939 CA ASP A 60 12.328 3.554 -10.378 1.00 0.00 C ATOM 940 C ASP A 60 12.142 3.751 -8.877 1.00 0.00 C ATOM 941 O ASP A 60 11.202 4.415 -8.440 1.00 0.00 O ATOM 942 CB ASP A 60 12.809 4.856 -11.020 1.00 0.00 C ATOM 943 CG ASP A 60 13.295 4.655 -12.442 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.513 4.141 -13.269 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.458 5.012 -12.728 1.00 0.00 O ATOM 0 H ASP A 60 10.694 3.768 -11.675 1.00 0.00 H new ATOM 0 HA ASP A 60 13.081 2.781 -10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.996 5.582 -11.016 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.615 5.278 -10.420 1.00 0.00 H new ATOM 950 N ALA A 61 13.043 3.168 -8.093 1.00 0.00 N ATOM 951 CA ALA A 61 12.978 3.281 -6.641 1.00 0.00 C ATOM 952 C ALA A 61 13.151 4.729 -6.194 1.00 0.00 C ATOM 953 O ALA A 61 12.708 5.111 -5.111 1.00 0.00 O ATOM 954 CB ALA A 61 14.035 2.398 -5.995 1.00 0.00 C ATOM 0 H ALA A 61 13.826 2.613 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 61 11.992 2.944 -6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.975 2.492 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.865 1.359 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.024 2.709 -6.332 1.00 0.00 H new ATOM 960 N ASP A 62 13.797 5.529 -7.034 1.00 0.00 N ATOM 961 CA ASP A 62 14.028 6.935 -6.726 1.00 0.00 C ATOM 962 C ASP A 62 13.000 7.821 -7.423 1.00 0.00 C ATOM 963 O ASP A 62 13.212 9.021 -7.592 1.00 0.00 O ATOM 964 CB ASP A 62 15.440 7.346 -7.145 1.00 0.00 C ATOM 965 CG ASP A 62 16.457 7.135 -6.040 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.129 7.422 -4.870 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.581 6.683 -6.345 1.00 0.00 O ATOM 0 H ASP A 62 14.170 5.228 -7.934 1.00 0.00 H new ATOM 0 HA ASP A 62 13.924 7.066 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.737 6.772 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.438 8.396 -7.437 1.00 0.00 H new ATOM 972 N SER A 63 11.885 7.219 -7.826 1.00 0.00 N ATOM 973 CA SER A 63 10.825 7.952 -8.509 1.00 0.00 C ATOM 974 C SER A 63 9.983 8.744 -7.513 1.00 0.00 C ATOM 975 O SER A 63 9.681 8.283 -6.413 1.00 0.00 O ATOM 976 CB SER A 63 9.934 6.987 -9.295 1.00 0.00 C ATOM 977 OG SER A 63 9.249 7.660 -10.337 1.00 0.00 O ATOM 0 H SER A 63 11.692 6.226 -7.691 1.00 0.00 H new ATOM 0 HA SER A 63 11.290 8.653 -9.202 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.542 6.185 -9.714 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.213 6.523 -8.622 1.00 0.00 H new ATOM 0 HG SER A 63 8.468 8.124 -9.969 1.00 0.00 H new ATOM 983 N PRO A 64 9.595 9.965 -7.908 1.00 0.00 N ATOM 984 CA PRO A 64 8.782 10.848 -7.066 1.00 0.00 C ATOM 985 C PRO A 64 7.354 10.340 -6.903 1.00 0.00 C ATOM 986 O PRO A 64 6.669 10.684 -5.940 1.00 0.00 O ATOM 987 CB PRO A 64 8.793 12.175 -7.829 1.00 0.00 C ATOM 988 CG PRO A 64 9.034 11.794 -9.249 1.00 0.00 C ATOM 989 CD PRO A 64 9.919 10.579 -9.207 1.00 0.00 C ATOM 0 HA PRO A 64 9.176 10.920 -6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.847 12.704 -7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.575 12.838 -7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.096 11.576 -9.759 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.513 12.607 -9.795 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.710 9.901 -10.035 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.973 10.847 -9.273 1.00 0.00 H new ATOM 997 N ASP A 65 6.911 9.519 -7.849 1.00 0.00 N ATOM 998 CA ASP A 65 5.564 8.962 -7.809 1.00 0.00 C ATOM 999 C ASP A 65 5.447 7.900 -6.719 1.00 0.00 C ATOM 1000 O ASP A 65 4.368 7.676 -6.170 1.00 0.00 O ATOM 1001 CB ASP A 65 5.198 8.359 -9.166 1.00 0.00 C ATOM 1002 CG ASP A 65 5.826 9.112 -10.322 1.00 0.00 C ATOM 1003 OD1 ASP A 65 7.067 9.247 -10.338 1.00 0.00 O ATOM 1004 OD2 ASP A 65 5.076 9.568 -11.211 1.00 0.00 O ATOM 0 H ASP A 65 7.465 9.224 -8.653 1.00 0.00 H new ATOM 0 HA ASP A 65 4.870 9.771 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.520 7.318 -9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.114 8.361 -9.281 1.00 0.00 H new ATOM 1009 N ILE A 66 6.564 7.249 -6.413 1.00 0.00 N ATOM 1010 CA ILE A 66 6.587 6.212 -5.389 1.00 0.00 C ATOM 1011 C ILE A 66 6.527 6.817 -3.991 1.00 0.00 C ATOM 1012 O ILE A 66 7.318 7.696 -3.648 1.00 0.00 O ATOM 1013 CB ILE A 66 7.849 5.336 -5.503 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.752 4.420 -6.724 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.042 4.518 -4.235 1.00 0.00 C ATOM 1016 CD1 ILE A 66 8.993 3.586 -6.955 1.00 0.00 C ATOM 0 H ILE A 66 7.465 7.421 -6.859 1.00 0.00 H new ATOM 0 HA ILE A 66 5.707 5.590 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 66 8.715 5.986 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.896 3.756 -6.603 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.562 5.027 -7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.938 3.904 -4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.151 5.188 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.176 3.874 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.853 2.961 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.849 4.243 -7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.172 2.952 -6.086 1.00 0.00 H new ATOM 1028 N HIS A 67 5.583 6.340 -3.186 1.00 0.00 N ATOM 1029 CA HIS A 67 5.420 6.833 -1.822 1.00 0.00 C ATOM 1030 C HIS A 67 5.373 5.676 -0.829 1.00 0.00 C ATOM 1031 O HIS A 67 4.820 4.611 -1.105 1.00 0.00 O ATOM 1032 CB HIS A 67 4.146 7.671 -1.709 1.00 0.00 C ATOM 1033 CG HIS A 67 4.078 8.794 -2.697 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.905 9.895 -2.644 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.275 8.980 -3.771 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.613 10.712 -3.640 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.627 10.180 -4.339 1.00 0.00 N ATOM 0 H HIS A 67 4.919 5.613 -3.454 1.00 0.00 H new ATOM 0 HA HIS A 67 6.279 7.459 -1.582 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.281 7.023 -1.848 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.078 8.080 -0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.502 8.310 -4.117 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.098 11.654 -3.847 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.197 10.593 -5.166 1.00 0.00 H new ATOM 1046 N PRO A 68 5.966 5.888 0.356 1.00 0.00 N ATOM 1047 CA PRO A 68 6.004 4.874 1.414 1.00 0.00 C ATOM 1048 C PRO A 68 4.633 4.631 2.034 1.00 0.00 C ATOM 1049 O PRO A 68 3.702 5.411 1.833 1.00 0.00 O ATOM 1050 CB PRO A 68 6.959 5.477 2.448 1.00 0.00 C ATOM 1051 CG PRO A 68 6.876 6.948 2.227 1.00 0.00 C ATOM 1052 CD PRO A 68 6.643 7.133 0.753 1.00 0.00 C ATOM 0 HA PRO A 68 6.321 3.902 1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.663 5.212 3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.976 5.112 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.064 7.385 2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.795 7.442 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.026 8.008 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.579 7.271 0.212 1.00 0.00 H new ATOM 1060 N VAL A 69 4.514 3.543 2.789 1.00 0.00 N ATOM 1061 CA VAL A 69 3.256 3.197 3.439 1.00 0.00 C ATOM 1062 C VAL A 69 2.879 4.233 4.492 1.00 0.00 C ATOM 1063 O VAL A 69 3.399 4.217 5.607 1.00 0.00 O ATOM 1064 CB VAL A 69 3.331 1.809 4.104 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.165 1.612 5.061 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.355 0.714 3.048 1.00 0.00 C ATOM 0 H VAL A 69 5.274 2.886 2.965 1.00 0.00 H new ATOM 0 HA VAL A 69 2.492 3.178 2.662 1.00 0.00 H new ATOM 0 HB VAL A 69 4.256 1.749 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.235 0.626 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.197 2.378 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.227 1.691 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.408 -0.260 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.448 0.770 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.226 0.847 2.406 1.00 0.00 H new ATOM 1076 N GLY A 70 1.971 5.134 4.130 1.00 0.00 N ATOM 1077 CA GLY A 70 1.539 6.165 5.055 1.00 0.00 C ATOM 1078 C GLY A 70 1.668 7.558 4.472 1.00 0.00 C ATOM 1079 O GLY A 70 1.594 8.551 5.197 1.00 0.00 O ATOM 0 H GLY A 70 1.527 5.168 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.501 5.986 5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.131 6.100 5.968 1.00 0.00 H new ATOM 1083 N TRP A 71 1.864 7.633 3.161 1.00 0.00 N ATOM 1084 CA TRP A 71 2.006 8.915 2.481 1.00 0.00 C ATOM 1085 C TRP A 71 0.648 9.581 2.287 1.00 0.00 C ATOM 1086 O TRP A 71 0.568 10.781 2.020 1.00 0.00 O ATOM 1087 CB TRP A 71 2.693 8.725 1.128 1.00 0.00 C ATOM 1088 CG TRP A 71 2.445 9.853 0.172 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.351 10.787 -0.245 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.212 10.167 -0.482 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.753 11.662 -1.120 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.442 11.303 -1.283 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.065 9.598 -0.472 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.442 11.879 -2.063 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.056 10.171 -1.246 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.798 11.301 -2.033 1.00 0.00 C ATOM 0 H TRP A 71 1.928 6.821 2.547 1.00 0.00 H new ATOM 0 HA TRP A 71 2.622 9.563 3.105 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.767 8.621 1.285 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.345 7.795 0.679 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.384 10.831 0.067 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.212 12.451 -1.575 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.273 8.726 0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.638 12.751 -2.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.046 9.740 -1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.594 11.724 -2.628 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.416 8.797 2.422 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.771 9.312 2.261 1.00 0.00 C ATOM 1109 C CYS A 72 -2.099 10.329 3.350 1.00 0.00 C ATOM 1110 O CYS A 72 -2.866 11.266 3.127 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.782 8.166 2.295 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.722 7.173 3.805 1.00 0.00 S ATOM 0 H CYS A 72 -0.366 7.802 2.643 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.831 9.811 1.294 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.785 8.577 2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.607 7.516 1.438 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.615 6.231 3.740 1.00 0.00 H new ATOM 1118 N SER A 73 -1.515 10.136 4.528 1.00 0.00 N ATOM 1119 CA SER A 73 -1.750 11.033 5.653 1.00 0.00 C ATOM 1120 C SER A 73 -0.826 12.245 5.584 1.00 0.00 C ATOM 1121 O SER A 73 -1.282 13.381 5.450 1.00 0.00 O ATOM 1122 CB SER A 73 -1.540 10.292 6.975 1.00 0.00 C ATOM 1123 OG SER A 73 -2.317 10.867 8.011 1.00 0.00 O ATOM 0 H SER A 73 -0.876 9.367 4.728 1.00 0.00 H new ATOM 0 HA SER A 73 -2.782 11.381 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.809 9.243 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.485 10.321 7.248 1.00 0.00 H new ATOM 0 HG SER A 73 -2.166 10.374 8.845 1.00 0.00 H new ATOM 1129 N LYS A 74 0.475 11.995 5.676 1.00 0.00 N ATOM 1130 CA LYS A 74 1.466 13.064 5.623 1.00 0.00 C ATOM 1131 C LYS A 74 1.030 14.162 4.658 1.00 0.00 C ATOM 1132 O LYS A 74 1.267 15.346 4.900 1.00 0.00 O ATOM 1133 CB LYS A 74 2.826 12.506 5.198 1.00 0.00 C ATOM 1134 CG LYS A 74 2.947 12.273 3.702 1.00 0.00 C ATOM 1135 CD LYS A 74 4.161 11.423 3.367 1.00 0.00 C ATOM 1136 CE LYS A 74 5.447 12.229 3.454 1.00 0.00 C ATOM 1137 NZ LYS A 74 6.649 11.385 3.206 1.00 0.00 N ATOM 0 H LYS A 74 0.869 11.061 5.788 1.00 0.00 H new ATOM 0 HA LYS A 74 1.553 13.495 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.608 13.197 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.002 11.565 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.046 11.782 3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.020 13.232 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.214 10.577 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.054 11.014 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.417 13.040 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.522 12.687 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.505 11.972 3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.692 10.626 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.590 10.968 2.255 1.00 0.00 H new ATOM 1151 N THR A 75 0.391 13.762 3.563 1.00 0.00 N ATOM 1152 CA THR A 75 -0.077 14.711 2.561 1.00 0.00 C ATOM 1153 C THR A 75 -1.566 14.995 2.727 1.00 0.00 C ATOM 1154 O THR A 75 -2.005 16.139 2.625 1.00 0.00 O ATOM 1155 CB THR A 75 0.180 14.194 1.133 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.727 13.128 0.828 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.613 13.705 0.984 1.00 0.00 C ATOM 0 H THR A 75 0.186 12.786 3.348 1.00 0.00 H new ATOM 0 HA THR A 75 0.485 15.633 2.711 1.00 0.00 H new ATOM 0 HB THR A 75 0.020 15.018 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.459 12.701 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.771 13.345 -0.033 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.301 14.526 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.796 12.894 1.689 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.339 13.944 2.983 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.771 14.102 3.159 1.00 0.00 C ATOM 1167 C GLY A 76 -4.556 13.675 1.935 1.00 0.00 C ATOM 1168 O GLY A 76 -5.613 14.233 1.641 1.00 0.00 O ATOM 0 H GLY A 76 -1.999 12.986 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.095 13.515 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.993 15.145 3.384 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.038 12.682 1.218 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.698 12.182 0.017 1.00 0.00 C ATOM 1174 C HIS A 77 -5.424 10.870 0.303 1.00 0.00 C ATOM 1175 O HIS A 77 -4.976 10.046 1.100 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.678 11.980 -1.104 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.484 13.192 -1.963 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.245 14.448 -1.448 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -3.494 13.334 -3.309 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.117 15.311 -2.440 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.264 14.660 -3.580 1.00 0.00 N ATOM 0 H HIS A 77 -3.164 12.208 1.448 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.433 12.922 -0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.720 11.698 -0.666 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -3.999 11.148 -1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.653 12.550 -4.035 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -2.925 16.369 -2.337 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.215 15.075 -4.510 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.572 10.672 -0.362 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.384 9.463 -0.195 1.00 0.00 C ATOM 1192 C PRO A 78 -6.713 8.228 -0.788 1.00 0.00 C ATOM 1193 O PRO A 78 -6.278 8.238 -1.940 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.669 9.791 -0.959 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.261 10.807 -1.969 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.165 11.612 -1.327 1.00 0.00 C ATOM 0 HA PRO A 78 -7.546 9.222 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.083 8.903 -1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.437 10.182 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.910 10.329 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.102 11.443 -2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.433 11.950 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.556 12.501 -0.833 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.634 7.166 0.006 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.016 5.922 -0.441 1.00 0.00 C ATOM 1206 C LEU A 79 -7.076 4.902 -0.844 1.00 0.00 C ATOM 1207 O LEU A 79 -8.171 4.876 -0.283 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.130 5.344 0.664 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.171 4.231 0.242 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -2.972 4.810 -0.493 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.719 3.428 1.453 1.00 0.00 C ATOM 0 H LEU A 79 -6.990 7.141 0.962 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.401 6.143 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.545 6.156 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.774 4.961 1.455 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.699 3.561 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.300 4.003 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.312 5.340 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.443 5.503 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.037 2.640 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.209 4.086 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.587 2.982 1.938 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.742 4.062 -1.818 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.665 3.039 -2.294 1.00 0.00 C ATOM 1225 C GLN A 80 -7.070 1.645 -2.121 1.00 0.00 C ATOM 1226 O GLN A 80 -5.937 1.373 -2.519 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.011 3.279 -3.765 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.714 4.604 -4.016 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.139 4.615 -3.500 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -11.079 4.306 -4.233 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.308 4.972 -2.232 1.00 0.00 N ATOM 0 H GLN A 80 -5.839 4.070 -2.293 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.576 3.102 -1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.095 3.245 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.647 2.467 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.152 5.406 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.717 4.812 -5.086 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.501 5.220 -1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.245 4.998 -1.830 1.00 0.00 H new ATOM 1240 N PRO A 81 -7.850 0.739 -1.512 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.420 -0.642 -1.273 1.00 0.00 C ATOM 1242 C PRO A 81 -7.320 -1.450 -2.562 1.00 0.00 C ATOM 1243 O PRO A 81 -7.922 -1.113 -3.582 1.00 0.00 O ATOM 1244 CB PRO A 81 -8.523 -1.205 -0.373 1.00 0.00 C ATOM 1245 CG PRO A 81 -9.725 -0.381 -0.686 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.211 0.994 -1.012 1.00 0.00 C ATOM 0 HA PRO A 81 -6.425 -0.688 -0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.702 -2.260 -0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.253 -1.127 0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.278 -0.801 -1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.409 -0.351 0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.829 1.487 -1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.202 1.639 -0.133 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.543 -2.542 -2.518 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.347 -3.421 -3.675 1.00 0.00 C ATOM 1256 C PRO A 82 -7.604 -4.210 -4.022 1.00 0.00 C ATOM 1257 O PRO A 82 -8.604 -4.154 -3.304 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.232 -4.365 -3.218 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.332 -4.377 -1.731 1.00 0.00 C ATOM 1260 CD PRO A 82 -5.796 -3.003 -1.336 1.00 0.00 C ATOM 0 HA PRO A 82 -6.106 -2.860 -4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.365 -5.365 -3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.255 -4.012 -3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.035 -5.138 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.369 -4.609 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.427 -3.032 -0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.957 -2.345 -1.109 1.00 0.00 H new ATOM 1268 N LEU A 83 -7.549 -4.946 -5.127 1.00 0.00 N ATOM 1269 CA LEU A 83 -8.684 -5.748 -5.570 1.00 0.00 C ATOM 1270 C LEU A 83 -9.140 -6.700 -4.470 1.00 0.00 C ATOM 1271 O LEU A 83 -8.404 -6.966 -3.520 1.00 0.00 O ATOM 1272 CB LEU A 83 -8.315 -6.540 -6.825 1.00 0.00 C ATOM 1273 CG LEU A 83 -8.589 -5.848 -8.161 1.00 0.00 C ATOM 1274 CD1 LEU A 83 -10.077 -5.588 -8.333 1.00 0.00 C ATOM 1275 CD2 LEU A 83 -7.804 -4.547 -8.258 1.00 0.00 C ATOM 0 H LEU A 83 -6.730 -5.004 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.506 -5.072 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.254 -6.785 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.861 -7.483 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.262 -6.508 -8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.252 -5.095 -9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.617 -6.535 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.430 -4.948 -7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.011 -4.068 -9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.101 -3.882 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.738 -4.759 -8.181 1.00 0.00 H new ATOM 1287 N SER A 84 -10.359 -7.213 -4.606 1.00 0.00 N ATOM 1288 CA SER A 84 -10.915 -8.135 -3.622 1.00 0.00 C ATOM 1289 C SER A 84 -10.320 -9.530 -3.789 1.00 0.00 C ATOM 1290 O SER A 84 -9.794 -9.887 -4.843 1.00 0.00 O ATOM 1291 CB SER A 84 -12.438 -8.199 -3.754 1.00 0.00 C ATOM 1292 OG SER A 84 -13.056 -7.149 -3.031 1.00 0.00 O ATOM 0 H SER A 84 -10.980 -7.006 -5.388 1.00 0.00 H new ATOM 0 HA SER A 84 -10.659 -7.765 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.718 -8.135 -4.805 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.798 -9.160 -3.386 1.00 0.00 H new ATOM 0 HG SER A 84 -14.029 -7.210 -3.132 1.00 0.00 H new ATOM 1298 N PRO A 85 -10.405 -10.340 -2.722 1.00 0.00 N ATOM 1299 CA PRO A 85 -9.881 -11.709 -2.725 1.00 0.00 C ATOM 1300 C PRO A 85 -10.694 -12.639 -3.618 1.00 0.00 C ATOM 1301 O PRO A 85 -10.411 -13.834 -3.708 1.00 0.00 O ATOM 1302 CB PRO A 85 -9.999 -12.136 -1.260 1.00 0.00 C ATOM 1303 CG PRO A 85 -11.098 -11.295 -0.707 1.00 0.00 C ATOM 1304 CD PRO A 85 -11.018 -9.981 -1.433 1.00 0.00 C ATOM 0 HA PRO A 85 -8.865 -11.756 -3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.232 -13.197 -1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.065 -11.970 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.068 -11.768 -0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.980 -11.155 0.368 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.004 -9.535 -1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.412 -9.257 -0.888 1.00 0.00 H new ATOM 1312 N LEU A 86 -11.705 -12.084 -4.278 1.00 0.00 N ATOM 1313 CA LEU A 86 -12.559 -12.865 -5.166 1.00 0.00 C ATOM 1314 C LEU A 86 -12.372 -12.435 -6.618 1.00 0.00 C ATOM 1315 O LEU A 86 -12.601 -13.217 -7.540 1.00 0.00 O ATOM 1316 CB LEU A 86 -14.026 -12.709 -4.761 1.00 0.00 C ATOM 1317 CG LEU A 86 -14.472 -11.295 -4.385 1.00 0.00 C ATOM 1318 CD1 LEU A 86 -15.942 -11.093 -4.718 1.00 0.00 C ATOM 1319 CD2 LEU A 86 -14.217 -11.031 -2.908 1.00 0.00 C ATOM 0 H LEU A 86 -11.953 -11.097 -4.215 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.273 -13.913 -5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -14.649 -13.058 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.220 -13.367 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.887 -10.583 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -16.242 -10.082 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -16.096 -11.240 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -16.543 -11.813 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.540 -10.020 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.776 -11.750 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.152 -11.134 -2.699 1.00 0.00 H new ATOM 1331 N GLU A 87 -11.953 -11.189 -6.812 1.00 0.00 N ATOM 1332 CA GLU A 87 -11.734 -10.657 -8.152 1.00 0.00 C ATOM 1333 C GLU A 87 -10.517 -11.308 -8.803 1.00 0.00 C ATOM 1334 O GLU A 87 -10.343 -11.246 -10.021 1.00 0.00 O ATOM 1335 CB GLU A 87 -11.546 -9.140 -8.098 1.00 0.00 C ATOM 1336 CG GLU A 87 -12.752 -8.396 -7.549 1.00 0.00 C ATOM 1337 CD GLU A 87 -13.867 -8.260 -8.569 1.00 0.00 C ATOM 1338 OE1 GLU A 87 -13.592 -7.771 -9.685 1.00 0.00 O ATOM 1339 OE2 GLU A 87 -15.012 -8.641 -8.251 1.00 0.00 O ATOM 0 H GLU A 87 -11.758 -10.529 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.613 -10.886 -8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.677 -8.912 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.329 -8.773 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.129 -8.921 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.443 -7.404 -7.219 1.00 0.00 H new ATOM 1346 N LEU A 88 -9.678 -11.932 -7.984 1.00 0.00 N ATOM 1347 CA LEU A 88 -8.477 -12.596 -8.479 1.00 0.00 C ATOM 1348 C LEU A 88 -8.695 -14.101 -8.596 1.00 0.00 C ATOM 1349 O LEU A 88 -7.755 -14.856 -8.840 1.00 0.00 O ATOM 1350 CB LEU A 88 -7.294 -12.311 -7.551 1.00 0.00 C ATOM 1351 CG LEU A 88 -7.493 -12.677 -6.079 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -7.044 -14.106 -5.819 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -6.737 -11.707 -5.182 1.00 0.00 C ATOM 0 H LEU A 88 -9.807 -11.992 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.257 -12.202 -9.471 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.425 -12.853 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.058 -11.249 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.555 -12.604 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.193 -14.348 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.629 -14.789 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.988 -14.207 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.890 -11.982 -4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.673 -11.748 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.106 -10.695 -5.348 1.00 0.00 H new ATOM 1365 N MET A 89 -9.941 -14.528 -8.425 1.00 0.00 N ATOM 1366 CA MET A 89 -10.283 -15.943 -8.515 1.00 0.00 C ATOM 1367 C MET A 89 -9.959 -16.493 -9.901 1.00 0.00 C ATOM 1368 O MET A 89 -10.244 -15.855 -10.913 1.00 0.00 O ATOM 1369 CB MET A 89 -11.766 -16.152 -8.205 1.00 0.00 C ATOM 1370 CG MET A 89 -12.203 -17.606 -8.276 1.00 0.00 C ATOM 1371 SD MET A 89 -12.028 -18.461 -6.698 1.00 0.00 S ATOM 1372 CE MET A 89 -13.344 -17.699 -5.752 1.00 0.00 C ATOM 0 H MET A 89 -10.731 -13.915 -8.223 1.00 0.00 H new ATOM 0 HA MET A 89 -9.686 -16.483 -7.780 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.978 -15.766 -7.208 1.00 0.00 H new ATOM 0 HB3 MET A 89 -12.361 -15.568 -8.907 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.244 -17.653 -8.597 1.00 0.00 H new ATOM 0 HG3 MET A 89 -11.612 -18.123 -9.032 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.639 -18.362 -4.939 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.995 -16.752 -5.340 1.00 0.00 H new ATOM 0 HE3 MET A 89 -14.201 -17.518 -6.401 1.00 0.00 H new ATOM 1382 N GLU A 90 -9.360 -17.679 -9.936 1.00 0.00 N ATOM 1383 CA GLU A 90 -8.997 -18.313 -11.198 1.00 0.00 C ATOM 1384 C GLU A 90 -9.870 -19.536 -11.464 1.00 0.00 C ATOM 1385 O GLU A 90 -10.736 -19.880 -10.661 1.00 0.00 O ATOM 1386 CB GLU A 90 -7.522 -18.720 -11.184 1.00 0.00 C ATOM 1387 CG GLU A 90 -7.195 -19.789 -10.155 1.00 0.00 C ATOM 1388 CD GLU A 90 -5.756 -20.259 -10.239 1.00 0.00 C ATOM 1389 OE1 GLU A 90 -4.847 -19.415 -10.091 1.00 0.00 O ATOM 1390 OE2 GLU A 90 -5.538 -21.470 -10.452 1.00 0.00 O ATOM 0 H GLU A 90 -9.116 -18.220 -9.106 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.160 -17.591 -11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.245 -19.083 -12.174 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.912 -17.838 -10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.388 -19.397 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.860 -20.641 -10.297 1.00 0.00 H new ATOM 1397 N ALA A 91 -9.636 -20.187 -12.599 1.00 0.00 N ATOM 1398 CA ALA A 91 -10.399 -21.372 -12.971 1.00 0.00 C ATOM 1399 C ALA A 91 -9.485 -22.580 -13.151 1.00 0.00 C ATOM 1400 O ALA A 91 -8.423 -22.480 -13.765 1.00 0.00 O ATOM 1401 CB ALA A 91 -11.190 -21.112 -14.245 1.00 0.00 C ATOM 0 H ALA A 91 -8.924 -19.914 -13.277 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.096 -21.594 -12.162 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.755 -22.005 -14.511 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.878 -20.282 -14.083 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.504 -20.862 -15.054 1.00 0.00 H new ATOM 1407 N SER A 92 -9.905 -23.719 -12.612 1.00 0.00 N ATOM 1408 CA SER A 92 -9.122 -24.946 -12.709 1.00 0.00 C ATOM 1409 C SER A 92 -10.003 -26.121 -13.120 1.00 0.00 C ATOM 1410 O SER A 92 -10.638 -26.757 -12.280 1.00 0.00 O ATOM 1411 CB SER A 92 -8.440 -25.247 -11.374 1.00 0.00 C ATOM 1412 OG SER A 92 -7.236 -24.512 -11.239 1.00 0.00 O ATOM 0 H SER A 92 -10.783 -23.819 -12.103 1.00 0.00 H new ATOM 0 HA SER A 92 -8.359 -24.802 -13.474 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.114 -25.000 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.228 -26.314 -11.303 1.00 0.00 H new ATOM 0 HG SER A 92 -6.820 -24.721 -10.377 1.00 0.00 H new ATOM 1418 N GLU A 93 -10.035 -26.403 -14.419 1.00 0.00 N ATOM 1419 CA GLU A 93 -10.838 -27.502 -14.942 1.00 0.00 C ATOM 1420 C GLU A 93 -10.078 -28.822 -14.853 1.00 0.00 C ATOM 1421 O GLU A 93 -10.631 -29.844 -14.444 1.00 0.00 O ATOM 1422 CB GLU A 93 -11.236 -27.227 -16.393 1.00 0.00 C ATOM 1423 CG GLU A 93 -10.051 -27.116 -17.339 1.00 0.00 C ATOM 1424 CD GLU A 93 -9.590 -28.464 -17.856 1.00 0.00 C ATOM 1425 OE1 GLU A 93 -10.446 -29.354 -18.042 1.00 0.00 O ATOM 1426 OE2 GLU A 93 -8.372 -28.629 -18.076 1.00 0.00 O ATOM 0 H GLU A 93 -9.515 -25.886 -15.128 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.739 -27.580 -14.334 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.892 -28.026 -16.738 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.811 -26.302 -16.434 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.322 -26.481 -18.182 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.224 -26.626 -16.824 1.00 0.00 H new ATOM 1433 N HIS A 94 -8.807 -28.794 -15.240 1.00 0.00 N ATOM 1434 CA HIS A 94 -7.970 -29.987 -15.204 1.00 0.00 C ATOM 1435 C HIS A 94 -8.220 -30.789 -13.930 1.00 0.00 C ATOM 1436 O HIS A 94 -8.722 -30.259 -12.940 1.00 0.00 O ATOM 1437 CB HIS A 94 -6.493 -29.603 -15.297 1.00 0.00 C ATOM 1438 CG HIS A 94 -6.020 -29.375 -16.700 1.00 0.00 C ATOM 1439 ND1 HIS A 94 -5.742 -28.123 -17.206 1.00 0.00 N ATOM 1440 CD2 HIS A 94 -5.774 -30.249 -17.704 1.00 0.00 C ATOM 1441 CE1 HIS A 94 -5.348 -28.236 -18.462 1.00 0.00 C ATOM 1442 NE2 HIS A 94 -5.358 -29.516 -18.789 1.00 0.00 N ATOM 0 H HIS A 94 -8.334 -27.958 -15.582 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.231 -30.609 -16.060 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.324 -28.698 -14.714 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -5.892 -30.391 -14.843 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.884 -31.322 -17.660 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.066 -27.420 -19.111 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.099 -29.898 -19.699 1.00 0.00 H new ATOM 1451 N GLY A 95 -7.866 -32.070 -13.964 1.00 0.00 N ATOM 1452 CA GLY A 95 -8.062 -32.924 -12.807 1.00 0.00 C ATOM 1453 C GLY A 95 -7.596 -34.346 -13.050 1.00 0.00 C ATOM 1454 O GLY A 95 -7.347 -34.738 -14.189 1.00 0.00 O ATOM 0 H GLY A 95 -7.447 -32.531 -14.772 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.521 -32.508 -11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.119 -32.932 -12.540 1.00 0.00 H new ATOM 1458 N GLY A 96 -7.478 -35.121 -11.976 1.00 0.00 N ATOM 1459 CA GLY A 96 -7.038 -36.498 -12.099 1.00 0.00 C ATOM 1460 C GLY A 96 -7.470 -37.352 -10.924 1.00 0.00 C ATOM 1461 O GLY A 96 -8.537 -37.967 -10.955 1.00 0.00 O ATOM 0 H GLY A 96 -7.679 -34.819 -11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.438 -36.923 -13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.951 -36.523 -12.182 1.00 0.00 H new ATOM 1465 N CYS A 97 -6.641 -37.392 -9.887 1.00 0.00 N ATOM 1466 CA CYS A 97 -6.942 -38.180 -8.697 1.00 0.00 C ATOM 1467 C CYS A 97 -7.301 -39.615 -9.072 1.00 0.00 C ATOM 1468 O CYS A 97 -8.233 -40.197 -8.517 1.00 0.00 O ATOM 1469 CB CYS A 97 -8.091 -37.542 -7.915 1.00 0.00 C ATOM 1470 SG CYS A 97 -8.226 -38.113 -6.205 1.00 0.00 S ATOM 0 H CYS A 97 -5.755 -36.888 -9.846 1.00 0.00 H new ATOM 0 HA CYS A 97 -6.051 -38.199 -8.069 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.960 -36.460 -7.916 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.028 -37.751 -8.432 1.00 0.00 H new ATOM 0 HG CYS A 97 -9.225 -37.516 -5.626 1.00 0.00 H new ATOM 1476 N SER A 98 -6.556 -40.178 -10.017 1.00 0.00 N ATOM 1477 CA SER A 98 -6.798 -41.543 -10.469 1.00 0.00 C ATOM 1478 C SER A 98 -5.617 -42.447 -10.129 1.00 0.00 C ATOM 1479 O SER A 98 -4.577 -42.404 -10.787 1.00 0.00 O ATOM 1480 CB SER A 98 -7.054 -41.565 -11.978 1.00 0.00 C ATOM 1481 OG SER A 98 -7.559 -42.822 -12.391 1.00 0.00 O ATOM 0 H SER A 98 -5.780 -39.710 -10.485 1.00 0.00 H new ATOM 0 HA SER A 98 -7.681 -41.919 -9.952 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.763 -40.780 -12.241 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.128 -41.349 -12.510 1.00 0.00 H new ATOM 0 HG SER A 98 -7.716 -42.810 -13.358 1.00 0.00 H new ATOM 1487 N THR A 99 -5.785 -43.265 -9.095 1.00 0.00 N ATOM 1488 CA THR A 99 -4.734 -44.179 -8.665 1.00 0.00 C ATOM 1489 C THR A 99 -5.047 -45.612 -9.081 1.00 0.00 C ATOM 1490 O THR A 99 -6.111 -46.153 -8.779 1.00 0.00 O ATOM 1491 CB THR A 99 -4.537 -44.130 -7.138 1.00 0.00 C ATOM 1492 OG1 THR A 99 -3.582 -45.118 -6.736 1.00 0.00 O ATOM 1493 CG2 THR A 99 -5.855 -44.367 -6.415 1.00 0.00 C ATOM 0 H THR A 99 -6.639 -43.313 -8.540 1.00 0.00 H new ATOM 0 HA THR A 99 -3.814 -43.855 -9.153 1.00 0.00 H new ATOM 0 HB THR A 99 -4.168 -43.139 -6.872 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.461 -45.080 -5.764 1.00 0.00 H new ATOM 0 HG21 THR A 99 -5.691 -44.328 -5.338 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.571 -43.597 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 99 -6.248 -45.347 -6.687 1.00 0.00 H new ATOM 1501 N PRO A 100 -4.100 -46.244 -9.789 1.00 0.00 N ATOM 1502 CA PRO A 100 -4.251 -47.624 -10.260 1.00 0.00 C ATOM 1503 C PRO A 100 -4.210 -48.634 -9.118 1.00 0.00 C ATOM 1504 O PRO A 100 -3.178 -48.812 -8.472 1.00 0.00 O ATOM 1505 CB PRO A 100 -3.050 -47.816 -11.188 1.00 0.00 C ATOM 1506 CG PRO A 100 -2.033 -46.843 -10.699 1.00 0.00 C ATOM 1507 CD PRO A 100 -2.807 -45.660 -10.184 1.00 0.00 C ATOM 0 HA PRO A 100 -5.213 -47.785 -10.747 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -2.674 -48.838 -11.142 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.317 -47.621 -12.227 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.420 -47.281 -9.911 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.357 -46.548 -11.502 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.305 -45.188 -9.340 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.929 -44.895 -10.951 1.00 0.00 H new ATOM 1515 N GLY A 101 -5.339 -49.293 -8.875 1.00 0.00 N ATOM 1516 CA GLY A 101 -5.409 -50.277 -7.811 1.00 0.00 C ATOM 1517 C GLY A 101 -5.186 -51.690 -8.313 1.00 0.00 C ATOM 1518 O GLY A 101 -5.595 -52.034 -9.422 1.00 0.00 O ATOM 0 H GLY A 101 -6.206 -49.163 -9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.662 -50.042 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.384 -50.216 -7.327 1.00 0.00 H new ATOM 1522 N SER A 102 -4.535 -52.511 -7.495 1.00 0.00 N ATOM 1523 CA SER A 102 -4.254 -53.894 -7.865 1.00 0.00 C ATOM 1524 C SER A 102 -5.518 -54.745 -7.785 1.00 0.00 C ATOM 1525 O SER A 102 -6.445 -54.432 -7.040 1.00 0.00 O ATOM 1526 CB SER A 102 -3.174 -54.478 -6.953 1.00 0.00 C ATOM 1527 OG SER A 102 -2.415 -55.466 -7.629 1.00 0.00 O ATOM 0 H SER A 102 -4.192 -52.243 -6.572 1.00 0.00 H new ATOM 0 HA SER A 102 -3.895 -53.904 -8.894 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.515 -53.681 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.638 -54.914 -6.068 1.00 0.00 H new ATOM 0 HG SER A 102 -1.730 -55.822 -7.025 1.00 0.00 H new ATOM 1533 N GLY A 103 -5.546 -55.825 -8.561 1.00 0.00 N ATOM 1534 CA GLY A 103 -6.700 -56.705 -8.564 1.00 0.00 C ATOM 1535 C GLY A 103 -6.377 -58.085 -8.026 1.00 0.00 C ATOM 1536 O GLY A 103 -6.707 -58.424 -6.889 1.00 0.00 O ATOM 0 H GLY A 103 -4.791 -56.106 -9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.494 -56.261 -7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.082 -56.795 -9.581 1.00 0.00 H new ATOM 1540 N PRO A 104 -5.719 -58.909 -8.855 1.00 0.00 N ATOM 1541 CA PRO A 104 -5.339 -60.274 -8.477 1.00 0.00 C ATOM 1542 C PRO A 104 -4.239 -60.298 -7.421 1.00 0.00 C ATOM 1543 O PRO A 104 -3.538 -59.307 -7.218 1.00 0.00 O ATOM 1544 CB PRO A 104 -4.834 -60.877 -9.790 1.00 0.00 C ATOM 1545 CG PRO A 104 -4.382 -59.708 -10.595 1.00 0.00 C ATOM 1546 CD PRO A 104 -5.295 -58.572 -10.224 1.00 0.00 C ATOM 0 HA PRO A 104 -6.171 -60.821 -8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.017 -61.577 -9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.623 -61.429 -10.301 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.343 -59.461 -10.376 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.440 -59.923 -11.662 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.778 -57.613 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.145 -58.502 -10.902 1.00 0.00 H new ATOM 1554 N SER A 105 -4.093 -61.437 -6.752 1.00 0.00 N ATOM 1555 CA SER A 105 -3.079 -61.589 -5.715 1.00 0.00 C ATOM 1556 C SER A 105 -2.389 -62.945 -5.824 1.00 0.00 C ATOM 1557 O SER A 105 -3.016 -63.990 -5.651 1.00 0.00 O ATOM 1558 CB SER A 105 -3.711 -61.436 -4.329 1.00 0.00 C ATOM 1559 OG SER A 105 -2.829 -61.886 -3.315 1.00 0.00 O ATOM 0 H SER A 105 -4.664 -62.268 -6.909 1.00 0.00 H new ATOM 0 HA SER A 105 -2.331 -60.808 -5.855 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.967 -60.391 -4.156 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.641 -62.003 -4.285 1.00 0.00 H new ATOM 0 HG SER A 105 -3.255 -61.777 -2.439 1.00 0.00 H new ATOM 1565 N SER A 106 -1.092 -62.920 -6.114 1.00 0.00 N ATOM 1566 CA SER A 106 -0.315 -64.146 -6.251 1.00 0.00 C ATOM 1567 C SER A 106 -0.625 -65.116 -5.115 1.00 0.00 C ATOM 1568 O SER A 106 -0.540 -64.761 -3.940 1.00 0.00 O ATOM 1569 CB SER A 106 1.182 -63.828 -6.270 1.00 0.00 C ATOM 1570 OG SER A 106 1.923 -64.895 -6.834 1.00 0.00 O ATOM 0 H SER A 106 -0.557 -62.064 -6.259 1.00 0.00 H new ATOM 0 HA SER A 106 -0.591 -64.617 -7.194 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.356 -62.917 -6.843 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.529 -63.637 -5.255 1.00 0.00 H new ATOM 0 HG SER A 106 2.876 -64.666 -6.836 1.00 0.00 H new ATOM 1576 N GLY A 107 -0.987 -66.344 -5.475 1.00 0.00 N ATOM 1577 CA GLY A 107 -1.305 -67.346 -4.475 1.00 0.00 C ATOM 1578 C GLY A 107 -2.570 -68.113 -4.806 1.00 0.00 C ATOM 1579 O GLY A 107 -2.623 -68.837 -5.801 1.00 0.00 O ATOM 0 H GLY A 107 -1.066 -66.662 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.473 -68.044 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.420 -66.863 -3.505 1.00 0.00 H new TER 1583 GLY A 107