USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 677 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 66 ASN : amide:sc= -4.24! C(o=-43!,f=-46!) USER MOD Set 1.2: A 78 ASN : amide:sc= -39.1! C(o=-43!,f=-56!) USER MOD Single : A 1 ALA N :NH3+ -140:sc= -2.26! (180deg=-5.23!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -2.26! X(o=-2.3!,f=-2) USER MOD Single : A 15 ASN : amide:sc= -14.2! C(o=-14!,f=-18!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.421 USER MOD Single : A 20 GLN : amide:sc= -6.52! C(o=-6.5!,f=-8!) USER MOD Single : A 27 GLN : amide:sc=-0.00681 X(o=-0.0068,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -26:sc= 1.46 USER MOD Single : A 43 SER OG : rot -19:sc= 0.955 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.343 (180deg=-0.744) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= -0.0573 (180deg=-0.0879) USER MOD Single : A 52 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.663 USER MOD Single : A 58 THR OG1 : rot 161:sc= -0.244 USER MOD Single : A 63 LYS NZ :NH3+ 138:sc= -1.56 (180deg=-3.04!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.575 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 71 MET CE :methyl 171:sc= -2 (180deg=-2.03) USER MOD Single : A 75 LYS NZ :NH3+ -138:sc= 0.507 (180deg=-1.13!) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -15.4! C(o=-16!,f=-15!) USER MOD Single : A 80 THR OG1 : rot -46:sc= -2.75! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -1.02! C(o=-1.7!,f=-1!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS :FLIP no HD1:sc= 0.18 F(o=-2.4!,f=0.18) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 105:sc= 0.671 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.045 4.864 17.813 1.00 0.00 N ATOM 2 CA ALA A 1 -12.925 4.902 18.788 1.00 0.00 C ATOM 3 C ALA A 1 -11.587 4.703 18.088 1.00 0.00 C ATOM 4 O ALA A 1 -10.644 5.467 18.295 1.00 0.00 O ATOM 5 CB ALA A 1 -13.121 3.841 19.861 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.746 5.590 18.062 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.679 5.048 16.857 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.494 3.926 17.837 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.920 5.884 19.261 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.292 3.881 20.568 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.057 4.025 20.388 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.154 2.856 19.396 1.00 0.00 H new ATOM 13 N PRO A 2 -11.491 3.666 17.245 1.00 0.00 N ATOM 14 CA PRO A 2 -10.264 3.356 16.504 1.00 0.00 C ATOM 15 C PRO A 2 -9.886 4.463 15.524 1.00 0.00 C ATOM 16 O PRO A 2 -9.764 4.226 14.323 1.00 0.00 O ATOM 17 CB PRO A 2 -10.607 2.064 15.747 1.00 0.00 C ATOM 18 CG PRO A 2 -11.824 1.523 16.419 1.00 0.00 C ATOM 19 CD PRO A 2 -12.569 2.714 16.947 1.00 0.00 C ATOM 0 HA PRO A 2 -9.406 3.255 17.169 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.797 2.265 14.693 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.783 1.351 15.792 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.438 0.958 15.718 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.554 0.842 17.226 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.268 3.112 16.212 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.148 2.467 17.837 1.00 0.00 H new ATOM 27 N ASP A 3 -9.700 5.673 16.046 1.00 0.00 N ATOM 28 CA ASP A 3 -9.334 6.816 15.216 1.00 0.00 C ATOM 29 C ASP A 3 -8.460 7.797 15.992 1.00 0.00 C ATOM 30 O ASP A 3 -8.463 8.997 15.719 1.00 0.00 O ATOM 31 CB ASP A 3 -10.587 7.530 14.706 1.00 0.00 C ATOM 32 CG ASP A 3 -10.316 8.354 13.463 1.00 0.00 C ATOM 33 OD1 ASP A 3 -9.137 8.676 13.210 1.00 0.00 O ATOM 34 OD2 ASP A 3 -11.284 8.677 12.743 1.00 0.00 O ATOM 0 H ASP A 3 -9.797 5.886 17.039 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.765 6.443 14.365 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.359 6.792 14.488 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.977 8.178 15.491 1.00 0.00 H new ATOM 39 N VAL A 4 -7.709 7.276 16.957 1.00 0.00 N ATOM 40 CA VAL A 4 -6.825 8.104 17.770 1.00 0.00 C ATOM 41 C VAL A 4 -5.490 7.407 18.005 1.00 0.00 C ATOM 42 O VAL A 4 -5.245 6.856 19.078 1.00 0.00 O ATOM 43 CB VAL A 4 -7.458 8.447 19.131 1.00 0.00 C ATOM 44 CG1 VAL A 4 -7.805 7.180 19.896 1.00 0.00 C ATOM 45 CG2 VAL A 4 -6.526 9.333 19.944 1.00 0.00 C ATOM 0 H VAL A 4 -7.695 6.284 17.195 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.662 9.028 17.216 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.382 8.997 18.953 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.251 7.444 20.855 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.514 6.588 19.317 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.899 6.598 20.066 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.989 9.566 20.903 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.584 8.811 20.113 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.336 10.258 19.399 1.00 0.00 H new ATOM 55 N GLN A 5 -4.630 7.436 16.991 1.00 0.00 N ATOM 56 CA GLN A 5 -3.317 6.808 17.081 1.00 0.00 C ATOM 57 C GLN A 5 -2.451 7.196 15.888 1.00 0.00 C ATOM 58 O GLN A 5 -2.307 6.424 14.939 1.00 0.00 O ATOM 59 CB GLN A 5 -3.461 5.287 17.149 1.00 0.00 C ATOM 60 CG GLN A 5 -2.278 4.589 17.801 1.00 0.00 C ATOM 61 CD GLN A 5 -2.401 3.078 17.760 1.00 0.00 C ATOM 62 OE1 GLN A 5 -3.284 2.534 17.097 1.00 0.00 O ATOM 63 NE2 GLN A 5 -1.514 2.392 18.471 1.00 0.00 N ATOM 0 H GLN A 5 -4.820 7.888 16.097 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.832 7.160 17.991 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.367 5.041 17.703 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.590 4.898 16.139 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.360 4.889 17.296 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.194 4.916 18.838 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.799 2.884 19.006 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.548 1.373 18.482 1.00 0.00 H new ATOM 72 N ASP A 6 -1.881 8.396 15.941 1.00 0.00 N ATOM 73 CA ASP A 6 -1.031 8.890 14.862 1.00 0.00 C ATOM 74 C ASP A 6 -0.320 7.739 14.160 1.00 0.00 C ATOM 75 O ASP A 6 0.064 6.755 14.792 1.00 0.00 O ATOM 76 CB ASP A 6 -0.001 9.884 15.403 1.00 0.00 C ATOM 77 CG ASP A 6 -0.545 10.725 16.541 1.00 0.00 C ATOM 78 OD1 ASP A 6 -1.784 10.798 16.685 1.00 0.00 O ATOM 79 OD2 ASP A 6 0.267 11.310 17.289 1.00 0.00 O ATOM 0 H ASP A 6 -1.992 9.045 16.720 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.669 9.398 14.139 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.878 9.339 15.747 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.325 10.539 14.595 1.00 0.00 H new ATOM 84 N CYS A 7 -0.149 7.867 12.850 1.00 0.00 N ATOM 85 CA CYS A 7 0.515 6.836 12.065 1.00 0.00 C ATOM 86 C CYS A 7 -0.185 5.490 12.233 1.00 0.00 C ATOM 87 O CYS A 7 0.465 4.461 12.423 1.00 0.00 O ATOM 88 CB CYS A 7 1.982 6.717 12.481 1.00 0.00 C ATOM 89 SG CYS A 7 3.131 7.650 11.420 1.00 0.00 S ATOM 0 H CYS A 7 -0.461 8.674 12.310 1.00 0.00 H new ATOM 0 HA CYS A 7 0.464 7.123 11.015 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.087 7.066 13.508 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.268 5.665 12.471 1.00 0.00 H new ATOM 94 N PRO A 8 -1.525 5.483 12.166 1.00 0.00 N ATOM 95 CA PRO A 8 -2.321 4.258 12.311 1.00 0.00 C ATOM 96 C PRO A 8 -2.149 3.308 11.130 1.00 0.00 C ATOM 97 O PRO A 8 -3.129 2.829 10.559 1.00 0.00 O ATOM 98 CB PRO A 8 -3.761 4.774 12.372 1.00 0.00 C ATOM 99 CG PRO A 8 -3.724 6.081 11.658 1.00 0.00 C ATOM 100 CD PRO A 8 -2.371 6.670 11.943 1.00 0.00 C ATOM 0 HA PRO A 8 -2.021 3.682 13.186 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.451 4.080 11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.095 4.895 13.402 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.873 5.945 10.587 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.518 6.740 12.009 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.010 7.271 11.108 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.391 7.320 12.818 1.00 0.00 H new ATOM 108 N GLU A 9 -0.899 3.037 10.768 1.00 0.00 N ATOM 109 CA GLU A 9 -0.607 2.143 9.654 1.00 0.00 C ATOM 110 C GLU A 9 -1.206 2.677 8.362 1.00 0.00 C ATOM 111 O GLU A 9 -2.205 3.395 8.386 1.00 0.00 O ATOM 112 CB GLU A 9 -1.165 0.747 9.935 1.00 0.00 C ATOM 113 CG GLU A 9 -1.349 -0.101 8.686 1.00 0.00 C ATOM 114 CD GLU A 9 -2.743 0.016 8.102 1.00 0.00 C ATOM 115 OE1 GLU A 9 -3.448 0.990 8.439 1.00 0.00 O ATOM 116 OE2 GLU A 9 -3.130 -0.866 7.307 1.00 0.00 O ATOM 0 H GLU A 9 -0.075 3.423 11.229 1.00 0.00 H new ATOM 0 HA GLU A 9 0.476 2.085 9.543 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.494 0.228 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.125 0.844 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.618 0.201 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.146 -1.145 8.927 1.00 0.00 H new ATOM 123 N CYS A 10 -0.603 2.314 7.233 1.00 0.00 N ATOM 124 CA CYS A 10 -1.107 2.755 5.943 1.00 0.00 C ATOM 125 C CYS A 10 -2.625 2.723 5.970 1.00 0.00 C ATOM 126 O CYS A 10 -3.225 1.677 6.214 1.00 0.00 O ATOM 127 CB CYS A 10 -0.566 1.865 4.820 1.00 0.00 C ATOM 128 SG CYS A 10 -1.567 0.377 4.495 1.00 0.00 S ATOM 0 H CYS A 10 0.226 1.722 7.188 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.770 3.773 5.749 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.503 2.453 3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.449 1.558 5.072 1.00 0.00 H new ATOM 133 N THR A 11 -3.250 3.871 5.755 1.00 0.00 N ATOM 134 CA THR A 11 -4.698 3.945 5.798 1.00 0.00 C ATOM 135 C THR A 11 -5.287 4.341 4.463 1.00 0.00 C ATOM 136 O THR A 11 -4.666 5.050 3.676 1.00 0.00 O ATOM 137 CB THR A 11 -5.148 4.927 6.870 1.00 0.00 C ATOM 138 OG1 THR A 11 -4.068 5.732 7.306 1.00 0.00 O ATOM 139 CG2 THR A 11 -5.725 4.237 8.075 1.00 0.00 C ATOM 0 H THR A 11 -2.781 4.754 5.551 1.00 0.00 H new ATOM 0 HA THR A 11 -5.063 2.947 6.041 1.00 0.00 H new ATOM 0 HB THR A 11 -5.921 5.540 6.406 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.382 6.356 7.993 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.030 4.982 8.809 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.591 3.646 7.776 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.973 3.582 8.514 1.00 0.00 H new ATOM 147 N LEU A 12 -6.504 3.885 4.226 1.00 0.00 N ATOM 148 CA LEU A 12 -7.201 4.192 2.989 1.00 0.00 C ATOM 149 C LEU A 12 -7.386 5.684 2.838 1.00 0.00 C ATOM 150 O LEU A 12 -7.959 6.342 3.706 1.00 0.00 O ATOM 151 CB LEU A 12 -8.553 3.505 2.949 1.00 0.00 C ATOM 152 CG LEU A 12 -8.517 2.046 2.519 1.00 0.00 C ATOM 153 CD1 LEU A 12 -7.787 1.203 3.548 1.00 0.00 C ATOM 154 CD2 LEU A 12 -9.933 1.546 2.319 1.00 0.00 C ATOM 0 H LEU A 12 -7.031 3.300 4.874 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.593 3.824 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.005 3.566 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.203 4.054 2.268 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.975 1.963 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.772 0.163 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.764 1.564 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.299 1.275 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.910 0.501 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.486 1.636 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.423 2.141 1.548 1.00 0.00 H new ATOM 166 N GLN A 13 -6.899 6.215 1.733 1.00 0.00 N ATOM 167 CA GLN A 13 -7.019 7.634 1.483 1.00 0.00 C ATOM 168 C GLN A 13 -7.881 7.897 0.278 1.00 0.00 C ATOM 169 O GLN A 13 -7.478 8.551 -0.682 1.00 0.00 O ATOM 170 CB GLN A 13 -5.660 8.253 1.324 1.00 0.00 C ATOM 171 CG GLN A 13 -4.722 7.871 2.452 1.00 0.00 C ATOM 172 CD GLN A 13 -4.182 9.066 3.211 1.00 0.00 C ATOM 173 OE1 GLN A 13 -3.983 10.141 2.643 1.00 0.00 O ATOM 174 NE2 GLN A 13 -3.942 8.881 4.506 1.00 0.00 N ATOM 0 H GLN A 13 -6.421 5.689 1.001 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.505 8.096 2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.229 7.940 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.759 9.338 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.247 7.215 3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.887 7.301 2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.122 7.973 4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.578 9.648 5.072 1.00 0.00 H new ATOM 183 N GLU A 14 -9.068 7.353 0.379 1.00 0.00 N ATOM 184 CA GLU A 14 -10.102 7.449 -0.647 1.00 0.00 C ATOM 185 C GLU A 14 -9.583 8.069 -1.926 1.00 0.00 C ATOM 186 O GLU A 14 -8.969 9.134 -1.926 1.00 0.00 O ATOM 187 CB GLU A 14 -11.302 8.248 -0.154 1.00 0.00 C ATOM 188 CG GLU A 14 -12.313 8.553 -1.249 1.00 0.00 C ATOM 189 CD GLU A 14 -13.143 9.786 -0.950 1.00 0.00 C ATOM 190 OE1 GLU A 14 -12.563 10.891 -0.893 1.00 0.00 O ATOM 191 OE2 GLU A 14 -14.371 9.647 -0.774 1.00 0.00 O ATOM 0 H GLU A 14 -9.359 6.815 1.195 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.413 6.426 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.797 7.693 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.953 9.185 0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.788 8.693 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.975 7.696 -1.376 1.00 0.00 H new ATOM 198 N ASN A 15 -9.849 7.383 -3.014 1.00 0.00 N ATOM 199 CA ASN A 15 -9.425 7.827 -4.323 1.00 0.00 C ATOM 200 C ASN A 15 -10.244 8.999 -4.835 1.00 0.00 C ATOM 201 O ASN A 15 -11.382 8.831 -5.273 1.00 0.00 O ATOM 202 CB ASN A 15 -9.493 6.688 -5.319 1.00 0.00 C ATOM 203 CG ASN A 15 -8.209 6.560 -6.104 1.00 0.00 C ATOM 204 OD1 ASN A 15 -7.995 7.260 -7.092 1.00 0.00 O ATOM 205 ND2 ASN A 15 -7.348 5.663 -5.666 1.00 0.00 N ATOM 0 H ASN A 15 -10.365 6.503 -3.017 1.00 0.00 H new ATOM 0 HA ASN A 15 -8.394 8.165 -4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.693 5.755 -4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.325 6.852 -6.004 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.461 5.527 -6.152 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.568 5.105 -4.841 1.00 0.00 H new ATOM 212 N PRO A 16 -9.653 10.201 -4.830 1.00 0.00 N ATOM 213 CA PRO A 16 -10.301 11.398 -5.337 1.00 0.00 C ATOM 214 C PRO A 16 -10.223 11.414 -6.853 1.00 0.00 C ATOM 215 O PRO A 16 -10.637 12.364 -7.517 1.00 0.00 O ATOM 216 CB PRO A 16 -9.486 12.552 -4.729 1.00 0.00 C ATOM 217 CG PRO A 16 -8.392 11.913 -3.923 1.00 0.00 C ATOM 218 CD PRO A 16 -8.292 10.484 -4.379 1.00 0.00 C ATOM 0 HA PRO A 16 -11.357 11.463 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.072 13.190 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.114 13.184 -4.101 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.446 12.434 -4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.617 11.964 -2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.565 10.364 -5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.986 9.820 -3.570 1.00 0.00 H new ATOM 226 N PHE A 17 -9.679 10.323 -7.373 1.00 0.00 N ATOM 227 CA PHE A 17 -9.507 10.119 -8.801 1.00 0.00 C ATOM 228 C PHE A 17 -10.688 9.343 -9.365 1.00 0.00 C ATOM 229 O PHE A 17 -11.369 9.797 -10.285 1.00 0.00 O ATOM 230 CB PHE A 17 -8.218 9.330 -9.047 1.00 0.00 C ATOM 231 CG PHE A 17 -7.766 9.340 -10.476 1.00 0.00 C ATOM 232 CD1 PHE A 17 -8.288 8.437 -11.388 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.813 10.247 -10.905 1.00 0.00 C ATOM 234 CE1 PHE A 17 -7.869 8.443 -12.706 1.00 0.00 C ATOM 235 CE2 PHE A 17 -6.390 10.259 -12.220 1.00 0.00 C ATOM 236 CZ PHE A 17 -6.918 9.354 -13.122 1.00 0.00 C ATOM 0 H PHE A 17 -9.341 9.545 -6.806 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.449 11.088 -9.296 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.426 9.742 -8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.369 8.298 -8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.030 7.721 -11.066 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.395 10.954 -10.203 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.285 7.736 -13.409 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.648 10.974 -12.543 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.587 9.359 -14.150 1.00 0.00 H new ATOM 246 N PHE A 18 -10.913 8.162 -8.801 1.00 0.00 N ATOM 247 CA PHE A 18 -12.000 7.295 -9.233 1.00 0.00 C ATOM 248 C PHE A 18 -13.325 7.707 -8.598 1.00 0.00 C ATOM 249 O PHE A 18 -14.390 7.498 -9.180 1.00 0.00 O ATOM 250 CB PHE A 18 -11.669 5.851 -8.872 1.00 0.00 C ATOM 251 CG PHE A 18 -10.249 5.486 -9.183 1.00 0.00 C ATOM 252 CD1 PHE A 18 -9.818 5.414 -10.493 1.00 0.00 C ATOM 253 CD2 PHE A 18 -9.344 5.236 -8.169 1.00 0.00 C ATOM 254 CE1 PHE A 18 -8.507 5.094 -10.791 1.00 0.00 C ATOM 255 CE2 PHE A 18 -8.030 4.919 -8.457 1.00 0.00 C ATOM 256 CZ PHE A 18 -7.611 4.847 -9.771 1.00 0.00 C ATOM 0 H PHE A 18 -10.352 7.782 -8.038 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.109 7.388 -10.314 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -11.855 5.695 -7.809 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.338 5.183 -9.414 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.514 5.610 -11.295 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -9.667 5.289 -7.140 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.184 5.037 -11.820 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.332 4.728 -7.656 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.585 4.598 -10.000 1.00 0.00 H new ATOM 266 N SER A 19 -13.253 8.289 -7.403 1.00 0.00 N ATOM 267 CA SER A 19 -14.443 8.727 -6.690 1.00 0.00 C ATOM 268 C SER A 19 -15.561 9.072 -7.657 1.00 0.00 C ATOM 269 O SER A 19 -15.399 9.894 -8.558 1.00 0.00 O ATOM 270 CB SER A 19 -14.132 9.933 -5.810 1.00 0.00 C ATOM 271 OG SER A 19 -14.452 9.670 -4.454 1.00 0.00 O ATOM 0 H SER A 19 -12.378 8.467 -6.910 1.00 0.00 H new ATOM 0 HA SER A 19 -14.771 7.902 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.075 10.187 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.697 10.798 -6.159 1.00 0.00 H new ATOM 0 HG SER A 19 -14.242 10.457 -3.910 1.00 0.00 H new ATOM 277 N GLN A 20 -16.691 8.426 -7.454 1.00 0.00 N ATOM 278 CA GLN A 20 -17.864 8.636 -8.295 1.00 0.00 C ATOM 279 C GLN A 20 -19.126 8.752 -7.447 1.00 0.00 C ATOM 280 O GLN A 20 -19.126 8.404 -6.266 1.00 0.00 O ATOM 281 CB GLN A 20 -18.006 7.485 -9.299 1.00 0.00 C ATOM 282 CG GLN A 20 -18.865 6.332 -8.800 1.00 0.00 C ATOM 283 CD GLN A 20 -18.143 5.001 -8.871 1.00 0.00 C ATOM 284 OE1 GLN A 20 -16.914 4.949 -8.889 1.00 0.00 O ATOM 285 NE2 GLN A 20 -18.906 3.914 -8.914 1.00 0.00 N ATOM 0 H GLN A 20 -16.828 7.744 -6.708 1.00 0.00 H new ATOM 0 HA GLN A 20 -17.732 9.570 -8.841 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -18.437 7.873 -10.222 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.014 7.106 -9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.165 6.525 -7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -19.778 6.279 -9.393 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.922 4.003 -8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.476 2.991 -8.964 1.00 0.00 H new ATOM 294 N PRO A 21 -20.222 9.244 -8.042 1.00 0.00 N ATOM 295 CA PRO A 21 -21.500 9.405 -7.345 1.00 0.00 C ATOM 296 C PRO A 21 -21.951 8.116 -6.668 1.00 0.00 C ATOM 297 O PRO A 21 -22.832 7.416 -7.167 1.00 0.00 O ATOM 298 CB PRO A 21 -22.482 9.798 -8.460 1.00 0.00 C ATOM 299 CG PRO A 21 -21.767 9.518 -9.740 1.00 0.00 C ATOM 300 CD PRO A 21 -20.307 9.677 -9.441 1.00 0.00 C ATOM 0 HA PRO A 21 -21.434 10.143 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -23.404 9.221 -8.392 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -22.758 10.850 -8.387 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -21.985 8.511 -10.096 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -22.083 10.208 -10.522 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.689 9.061 -10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -19.976 10.708 -9.568 1.00 0.00 H new ATOM 308 N GLY A 22 -21.343 7.807 -5.527 1.00 0.00 N ATOM 309 CA GLY A 22 -21.700 6.604 -4.802 1.00 0.00 C ATOM 310 C GLY A 22 -20.561 5.610 -4.713 1.00 0.00 C ATOM 311 O GLY A 22 -20.788 4.418 -4.510 1.00 0.00 O ATOM 0 H GLY A 22 -20.610 8.368 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.020 6.874 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -22.552 6.130 -5.291 1.00 0.00 H new ATOM 315 N ALA A 23 -19.332 6.093 -4.859 1.00 0.00 N ATOM 316 CA ALA A 23 -18.167 5.220 -4.784 1.00 0.00 C ATOM 317 C ALA A 23 -16.882 6.008 -4.657 1.00 0.00 C ATOM 318 O ALA A 23 -16.409 6.638 -5.603 1.00 0.00 O ATOM 319 CB ALA A 23 -18.115 4.291 -5.986 1.00 0.00 C ATOM 0 H ALA A 23 -19.118 7.076 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 23 -18.267 4.615 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.238 3.648 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -19.015 3.676 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -18.054 4.882 -6.900 1.00 0.00 H new ATOM 325 N PRO A 24 -16.324 5.979 -3.450 1.00 0.00 N ATOM 326 CA PRO A 24 -15.110 6.669 -3.091 1.00 0.00 C ATOM 327 C PRO A 24 -13.911 5.740 -3.025 1.00 0.00 C ATOM 328 O PRO A 24 -13.469 5.347 -1.946 1.00 0.00 O ATOM 329 CB PRO A 24 -15.485 7.180 -1.705 1.00 0.00 C ATOM 330 CG PRO A 24 -16.415 6.140 -1.142 1.00 0.00 C ATOM 331 CD PRO A 24 -16.861 5.273 -2.290 1.00 0.00 C ATOM 0 HA PRO A 24 -14.807 7.435 -3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.602 7.301 -1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.971 8.154 -1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.910 5.543 -0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.272 6.611 -0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.464 4.261 -2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.947 5.187 -2.335 1.00 0.00 H new ATOM 339 N ILE A 25 -13.401 5.396 -4.195 1.00 0.00 N ATOM 340 CA ILE A 25 -12.260 4.520 -4.320 1.00 0.00 C ATOM 341 C ILE A 25 -11.184 4.808 -3.286 1.00 0.00 C ATOM 342 O ILE A 25 -11.356 5.677 -2.435 1.00 0.00 O ATOM 343 CB ILE A 25 -11.680 4.634 -5.717 1.00 0.00 C ATOM 344 CG1 ILE A 25 -12.698 4.117 -6.709 1.00 0.00 C ATOM 345 CG2 ILE A 25 -10.422 3.814 -5.788 1.00 0.00 C ATOM 346 CD1 ILE A 25 -13.481 2.976 -6.132 1.00 0.00 C ATOM 0 H ILE A 25 -13.773 5.721 -5.087 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.610 3.504 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.444 5.672 -5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.377 4.922 -6.992 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.192 3.792 -7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.995 3.888 -6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.703 4.187 -5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.654 2.772 -5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -14.206 2.624 -6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.802 2.163 -5.873 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.005 3.310 -5.237 1.00 0.00 H new ATOM 358 N LEU A 26 -10.091 4.035 -3.313 1.00 0.00 N ATOM 359 CA LEU A 26 -9.049 4.198 -2.318 1.00 0.00 C ATOM 360 C LEU A 26 -7.685 3.758 -2.748 1.00 0.00 C ATOM 361 O LEU A 26 -7.410 3.445 -3.906 1.00 0.00 O ATOM 362 CB LEU A 26 -9.427 3.373 -1.122 1.00 0.00 C ATOM 363 CG LEU A 26 -10.915 3.277 -0.967 1.00 0.00 C ATOM 364 CD1 LEU A 26 -11.336 1.872 -0.606 1.00 0.00 C ATOM 365 CD2 LEU A 26 -11.419 4.290 0.041 1.00 0.00 C ATOM 0 H LEU A 26 -9.916 3.306 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.983 5.268 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.005 2.373 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.995 3.814 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.372 3.514 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.420 1.833 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.023 1.185 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.869 1.583 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.501 4.201 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.953 4.103 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.166 5.295 -0.296 1.00 0.00 H new ATOM 377 N GLN A 27 -6.852 3.731 -1.735 1.00 0.00 N ATOM 378 CA GLN A 27 -5.463 3.315 -1.859 1.00 0.00 C ATOM 379 C GLN A 27 -4.743 3.503 -0.532 1.00 0.00 C ATOM 380 O GLN A 27 -4.055 4.502 -0.318 1.00 0.00 O ATOM 381 CB GLN A 27 -4.763 4.094 -2.966 1.00 0.00 C ATOM 382 CG GLN A 27 -3.249 4.043 -2.874 1.00 0.00 C ATOM 383 CD GLN A 27 -2.585 3.998 -4.236 1.00 0.00 C ATOM 384 OE1 GLN A 27 -1.947 4.961 -4.661 1.00 0.00 O ATOM 385 NE2 GLN A 27 -2.735 2.875 -4.928 1.00 0.00 N ATOM 0 H GLN A 27 -7.117 3.999 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.438 2.258 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.074 3.697 -3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.087 5.134 -2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.892 4.916 -2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.953 3.165 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.273 2.102 -4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.313 2.785 -5.852 1.00 0.00 H new ATOM 394 N CYS A 28 -4.931 2.537 0.360 1.00 0.00 N ATOM 395 CA CYS A 28 -4.330 2.580 1.685 1.00 0.00 C ATOM 396 C CYS A 28 -3.006 3.336 1.669 1.00 0.00 C ATOM 397 O CYS A 28 -2.006 2.844 1.147 1.00 0.00 O ATOM 398 CB CYS A 28 -4.105 1.172 2.236 1.00 0.00 C ATOM 399 SG CYS A 28 -4.611 0.991 3.976 1.00 0.00 S ATOM 0 H CYS A 28 -5.500 1.709 0.186 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.029 3.107 2.335 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.660 0.458 1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.049 0.917 2.143 1.00 0.00 H new ATOM 404 N MET A 29 -3.003 4.528 2.249 1.00 0.00 N ATOM 405 CA MET A 29 -1.798 5.345 2.305 1.00 0.00 C ATOM 406 C MET A 29 -1.676 6.030 3.662 1.00 0.00 C ATOM 407 O MET A 29 -2.351 7.023 3.930 1.00 0.00 O ATOM 408 CB MET A 29 -1.815 6.387 1.186 1.00 0.00 C ATOM 409 CG MET A 29 -0.896 6.044 0.024 1.00 0.00 C ATOM 410 SD MET A 29 0.726 6.818 0.167 1.00 0.00 S ATOM 411 CE MET A 29 0.429 8.376 -0.664 1.00 0.00 C ATOM 0 H MET A 29 -3.821 4.951 2.687 1.00 0.00 H new ATOM 0 HA MET A 29 -0.934 4.695 2.169 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.834 6.493 0.814 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.524 7.354 1.596 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.774 4.962 -0.030 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.363 6.359 -0.909 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.342 8.971 -0.659 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.125 8.187 -1.693 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.361 8.920 -0.146 1.00 0.00 H new ATOM 421 N GLY A 30 -0.817 5.486 4.520 1.00 0.00 N ATOM 422 CA GLY A 30 -0.632 6.056 5.842 1.00 0.00 C ATOM 423 C GLY A 30 0.748 5.788 6.416 1.00 0.00 C ATOM 424 O GLY A 30 1.757 6.192 5.838 1.00 0.00 O ATOM 0 H GLY A 30 -0.248 4.663 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.797 7.132 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.385 5.648 6.516 1.00 0.00 H new ATOM 428 N CYS A 31 0.790 5.113 7.564 1.00 0.00 N ATOM 429 CA CYS A 31 2.054 4.800 8.228 1.00 0.00 C ATOM 430 C CYS A 31 2.273 3.298 8.343 1.00 0.00 C ATOM 431 O CYS A 31 1.635 2.506 7.655 1.00 0.00 O ATOM 432 CB CYS A 31 2.096 5.437 9.617 1.00 0.00 C ATOM 433 SG CYS A 31 3.650 6.318 9.979 1.00 0.00 S ATOM 0 H CYS A 31 -0.037 4.772 8.054 1.00 0.00 H new ATOM 0 HA CYS A 31 2.856 5.212 7.615 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.264 6.135 9.711 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.947 4.660 10.367 1.00 0.00 H new ATOM 438 N CYS A 32 3.208 2.936 9.211 1.00 0.00 N ATOM 439 CA CYS A 32 3.581 1.539 9.449 1.00 0.00 C ATOM 440 C CYS A 32 4.908 1.236 8.765 1.00 0.00 C ATOM 441 O CYS A 32 5.325 0.082 8.670 1.00 0.00 O ATOM 442 CB CYS A 32 2.499 0.570 8.948 1.00 0.00 C ATOM 443 SG CYS A 32 2.878 -1.191 9.248 1.00 0.00 S ATOM 0 H CYS A 32 3.735 3.603 9.775 1.00 0.00 H new ATOM 0 HA CYS A 32 3.682 1.397 10.525 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.554 0.815 9.433 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.357 0.723 7.878 1.00 0.00 H new ATOM 448 N PHE A 33 5.561 2.290 8.284 1.00 0.00 N ATOM 449 CA PHE A 33 6.840 2.163 7.595 1.00 0.00 C ATOM 450 C PHE A 33 7.389 3.544 7.244 1.00 0.00 C ATOM 451 O PHE A 33 6.651 4.528 7.240 1.00 0.00 O ATOM 452 CB PHE A 33 6.671 1.324 6.325 1.00 0.00 C ATOM 453 CG PHE A 33 5.251 0.894 6.084 1.00 0.00 C ATOM 454 CD1 PHE A 33 4.249 1.838 5.930 1.00 0.00 C ATOM 455 CD2 PHE A 33 4.916 -0.450 6.028 1.00 0.00 C ATOM 456 CE1 PHE A 33 2.939 1.451 5.723 1.00 0.00 C ATOM 457 CE2 PHE A 33 3.606 -0.843 5.819 1.00 0.00 C ATOM 458 CZ PHE A 33 2.617 0.109 5.667 1.00 0.00 C ATOM 0 H PHE A 33 5.221 3.249 8.360 1.00 0.00 H new ATOM 0 HA PHE A 33 7.548 1.663 8.256 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.020 1.900 5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.305 0.440 6.394 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.495 2.889 5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.686 -1.198 6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.167 2.197 5.605 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.357 -1.893 5.775 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.594 -0.195 5.505 1.00 0.00 H new ATOM 468 N SER A 34 8.684 3.614 6.952 1.00 0.00 N ATOM 469 CA SER A 34 9.318 4.882 6.604 1.00 0.00 C ATOM 470 C SER A 34 8.836 5.378 5.242 1.00 0.00 C ATOM 471 O SER A 34 7.968 6.247 5.161 1.00 0.00 O ATOM 472 CB SER A 34 10.840 4.732 6.600 1.00 0.00 C ATOM 473 OG SER A 34 11.438 5.581 7.565 1.00 0.00 O ATOM 0 H SER A 34 9.313 2.811 6.949 1.00 0.00 H new ATOM 0 HA SER A 34 9.037 5.619 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.107 3.696 6.807 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.230 4.970 5.610 1.00 0.00 H new ATOM 0 HG SER A 34 12.411 5.466 7.544 1.00 0.00 H new ATOM 479 N ARG A 35 9.405 4.818 4.177 1.00 0.00 N ATOM 480 CA ARG A 35 9.037 5.199 2.815 1.00 0.00 C ATOM 481 C ARG A 35 9.933 6.318 2.298 1.00 0.00 C ATOM 482 O ARG A 35 10.110 7.342 2.959 1.00 0.00 O ATOM 483 CB ARG A 35 7.572 5.638 2.753 1.00 0.00 C ATOM 484 CG ARG A 35 6.974 5.556 1.358 1.00 0.00 C ATOM 485 CD ARG A 35 7.298 6.794 0.537 1.00 0.00 C ATOM 486 NE ARG A 35 6.984 8.028 1.254 1.00 0.00 N ATOM 487 CZ ARG A 35 5.963 8.826 0.950 1.00 0.00 C ATOM 488 NH1 ARG A 35 5.144 8.522 -0.049 1.00 0.00 N ATOM 489 NH2 ARG A 35 5.759 9.934 1.650 1.00 0.00 N ATOM 0 H ARG A 35 10.124 4.097 4.231 1.00 0.00 H new ATOM 0 HA ARG A 35 9.172 4.324 2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.985 5.015 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.492 6.663 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.356 4.671 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.893 5.440 1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.356 6.787 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.737 6.766 -0.397 1.00 0.00 H new ATOM 0 HE ARG A 35 7.584 8.294 2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.294 7.671 -0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.364 9.139 -0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.384 10.173 2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.977 10.547 1.419 1.00 0.00 H new ATOM 503 N ALA A 36 10.493 6.119 1.111 1.00 0.00 N ATOM 504 CA ALA A 36 11.367 7.113 0.504 1.00 0.00 C ATOM 505 C ALA A 36 11.630 6.794 -0.959 1.00 0.00 C ATOM 506 O ALA A 36 12.172 5.739 -1.285 1.00 0.00 O ATOM 507 CB ALA A 36 12.680 7.198 1.259 1.00 0.00 C ATOM 0 H ALA A 36 10.357 5.278 0.550 1.00 0.00 H new ATOM 0 HA ALA A 36 10.862 8.077 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.321 7.946 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.487 7.481 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.177 6.228 1.235 1.00 0.00 H new ATOM 513 N TYR A 37 11.251 7.717 -1.834 1.00 0.00 N ATOM 514 CA TYR A 37 11.450 7.541 -3.265 1.00 0.00 C ATOM 515 C TYR A 37 11.028 6.144 -3.712 1.00 0.00 C ATOM 516 O TYR A 37 11.667 5.147 -3.378 1.00 0.00 O ATOM 517 CB TYR A 37 12.913 7.793 -3.632 1.00 0.00 C ATOM 518 CG TYR A 37 13.172 9.189 -4.154 1.00 0.00 C ATOM 519 CD1 TYR A 37 12.354 9.751 -5.128 1.00 0.00 C ATOM 520 CD2 TYR A 37 14.232 9.946 -3.671 1.00 0.00 C ATOM 521 CE1 TYR A 37 12.587 11.027 -5.605 1.00 0.00 C ATOM 522 CE2 TYR A 37 14.470 11.223 -4.143 1.00 0.00 C ATOM 523 CZ TYR A 37 13.645 11.758 -5.110 1.00 0.00 C ATOM 524 OH TYR A 37 13.880 13.029 -5.583 1.00 0.00 O ATOM 0 H TYR A 37 10.803 8.596 -1.576 1.00 0.00 H new ATOM 0 HA TYR A 37 10.824 8.267 -3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 37 13.535 7.621 -2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 37 13.220 7.069 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.523 9.181 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 37 14.881 9.530 -2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.943 11.449 -6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 37 15.298 11.799 -3.757 1.00 0.00 H new ATOM 0 HH TYR A 37 14.662 13.407 -5.130 1.00 0.00 H new ATOM 534 N PRO A 38 9.939 6.065 -4.487 1.00 0.00 N ATOM 535 CA PRO A 38 9.414 4.796 -4.999 1.00 0.00 C ATOM 536 C PRO A 38 10.402 4.083 -5.907 1.00 0.00 C ATOM 537 O PRO A 38 10.126 3.003 -6.428 1.00 0.00 O ATOM 538 CB PRO A 38 8.165 5.197 -5.790 1.00 0.00 C ATOM 539 CG PRO A 38 7.849 6.596 -5.375 1.00 0.00 C ATOM 540 CD PRO A 38 9.142 7.215 -4.922 1.00 0.00 C ATOM 0 HA PRO A 38 9.209 4.097 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.347 5.140 -6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.333 4.528 -5.572 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.421 7.158 -6.205 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.113 6.604 -4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.631 7.759 -5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.984 7.924 -4.109 1.00 0.00 H new ATOM 548 N THR A 39 11.552 4.701 -6.085 1.00 0.00 N ATOM 549 CA THR A 39 12.605 4.149 -6.926 1.00 0.00 C ATOM 550 C THR A 39 12.059 3.757 -8.295 1.00 0.00 C ATOM 551 O THR A 39 11.341 2.766 -8.430 1.00 0.00 O ATOM 552 CB THR A 39 13.244 2.937 -6.245 1.00 0.00 C ATOM 553 OG1 THR A 39 12.572 1.744 -6.608 1.00 0.00 O ATOM 554 CG2 THR A 39 13.232 3.029 -4.734 1.00 0.00 C ATOM 0 H THR A 39 11.786 5.596 -5.655 1.00 0.00 H new ATOM 0 HA THR A 39 13.365 4.917 -7.069 1.00 0.00 H new ATOM 0 HB THR A 39 14.279 2.925 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.646 1.951 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.699 2.139 -4.312 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.785 3.914 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.203 3.100 -4.382 1.00 0.00 H new ATOM 562 N PRO A 40 12.396 4.539 -9.329 1.00 0.00 N ATOM 563 CA PRO A 40 11.942 4.285 -10.701 1.00 0.00 C ATOM 564 C PRO A 40 12.338 2.897 -11.192 1.00 0.00 C ATOM 565 O PRO A 40 13.508 2.638 -11.473 1.00 0.00 O ATOM 566 CB PRO A 40 12.650 5.366 -11.524 1.00 0.00 C ATOM 567 CG PRO A 40 12.988 6.437 -10.543 1.00 0.00 C ATOM 568 CD PRO A 40 13.245 5.737 -9.239 1.00 0.00 C ATOM 0 HA PRO A 40 10.855 4.318 -10.781 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.546 4.973 -12.004 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.004 5.745 -12.316 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.866 6.998 -10.864 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.170 7.151 -10.448 1.00 0.00 H new ATOM 0 HD2 PRO A 40 14.297 5.477 -9.122 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.974 6.360 -8.387 1.00 0.00 H new ATOM 576 N LEU A 41 11.354 2.009 -11.295 1.00 0.00 N ATOM 577 CA LEU A 41 11.594 0.646 -11.753 1.00 0.00 C ATOM 578 C LEU A 41 10.510 -0.298 -11.240 1.00 0.00 C ATOM 579 O LEU A 41 9.524 0.139 -10.646 1.00 0.00 O ATOM 580 CB LEU A 41 12.971 0.160 -11.294 1.00 0.00 C ATOM 581 CG LEU A 41 14.047 0.151 -12.383 1.00 0.00 C ATOM 582 CD1 LEU A 41 15.416 0.438 -11.786 1.00 0.00 C ATOM 583 CD2 LEU A 41 14.054 -1.183 -13.114 1.00 0.00 C ATOM 0 H LEU A 41 10.380 2.210 -11.067 1.00 0.00 H new ATOM 0 HA LEU A 41 11.566 0.647 -12.843 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.309 0.794 -10.474 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.870 -0.849 -10.895 1.00 0.00 H new ATOM 0 HG LEU A 41 13.814 0.937 -13.101 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.167 0.427 -12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.406 1.417 -11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.657 -0.325 -11.046 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.825 -1.172 -13.885 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.261 -1.985 -12.405 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.081 -1.350 -13.577 1.00 0.00 H new ATOM 595 N ARG A 42 10.698 -1.592 -11.476 1.00 0.00 N ATOM 596 CA ARG A 42 9.736 -2.597 -11.038 1.00 0.00 C ATOM 597 C ARG A 42 10.418 -3.679 -10.209 1.00 0.00 C ATOM 598 O ARG A 42 9.778 -4.637 -9.772 1.00 0.00 O ATOM 599 CB ARG A 42 9.047 -3.229 -12.248 1.00 0.00 C ATOM 600 CG ARG A 42 7.534 -3.303 -12.123 1.00 0.00 C ATOM 601 CD ARG A 42 6.916 -4.018 -13.314 1.00 0.00 C ATOM 602 NE ARG A 42 5.901 -3.206 -13.976 1.00 0.00 N ATOM 603 CZ ARG A 42 5.610 -3.302 -15.269 1.00 0.00 C ATOM 604 NH1 ARG A 42 6.258 -4.170 -16.035 1.00 0.00 N ATOM 605 NH2 ARG A 42 4.668 -2.532 -15.797 1.00 0.00 N ATOM 0 H ARG A 42 11.508 -1.970 -11.968 1.00 0.00 H new ATOM 0 HA ARG A 42 8.990 -2.103 -10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.301 -2.656 -13.140 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.440 -4.235 -12.394 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.268 -3.826 -11.204 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.123 -2.296 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.698 -4.273 -14.029 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.470 -4.955 -12.982 1.00 0.00 H new ATOM 0 HE ARG A 42 5.386 -2.527 -13.415 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.981 -4.765 -15.632 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.033 -4.242 -17.027 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.166 -1.865 -15.210 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.445 -2.606 -16.790 1.00 0.00 H new ATOM 619 N SER A 43 11.721 -3.523 -9.999 1.00 0.00 N ATOM 620 CA SER A 43 12.494 -4.487 -9.225 1.00 0.00 C ATOM 621 C SER A 43 13.969 -4.097 -9.198 1.00 0.00 C ATOM 622 O SER A 43 14.694 -4.302 -10.172 1.00 0.00 O ATOM 623 CB SER A 43 12.332 -5.890 -9.815 1.00 0.00 C ATOM 624 OG SER A 43 13.257 -6.112 -10.865 1.00 0.00 O ATOM 0 H SER A 43 12.264 -2.737 -10.355 1.00 0.00 H new ATOM 0 HA SER A 43 12.118 -4.487 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.479 -6.636 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.316 -6.016 -10.189 1.00 0.00 H new ATOM 0 HG SER A 43 13.585 -5.251 -11.200 1.00 0.00 H new ATOM 630 N LYS A 44 14.406 -3.529 -8.078 1.00 0.00 N ATOM 631 CA LYS A 44 15.794 -3.104 -7.926 1.00 0.00 C ATOM 632 C LYS A 44 16.642 -4.209 -7.302 1.00 0.00 C ATOM 633 O LYS A 44 16.612 -4.417 -6.088 1.00 0.00 O ATOM 634 CB LYS A 44 15.870 -1.840 -7.067 1.00 0.00 C ATOM 635 CG LYS A 44 16.880 -0.821 -7.569 1.00 0.00 C ATOM 636 CD LYS A 44 16.236 0.191 -8.504 1.00 0.00 C ATOM 637 CE LYS A 44 15.777 1.429 -7.752 1.00 0.00 C ATOM 638 NZ LYS A 44 15.565 2.587 -8.665 1.00 0.00 N ATOM 0 H LYS A 44 13.819 -3.352 -7.262 1.00 0.00 H new ATOM 0 HA LYS A 44 16.190 -2.887 -8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.885 -1.375 -7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.127 -2.120 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.326 -0.301 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.689 -1.335 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.948 0.477 -9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.385 -0.267 -9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.850 1.209 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.519 1.692 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.672 3.474 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.267 2.557 -9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.608 2.540 -9.069 1.00 0.00 H new ATOM 652 N LYS A 45 17.397 -4.912 -8.140 1.00 0.00 N ATOM 653 CA LYS A 45 18.256 -5.996 -7.674 1.00 0.00 C ATOM 654 C LYS A 45 19.114 -5.545 -6.496 1.00 0.00 C ATOM 655 O LYS A 45 19.158 -6.204 -5.457 1.00 0.00 O ATOM 656 CB LYS A 45 19.157 -6.486 -8.810 1.00 0.00 C ATOM 657 CG LYS A 45 20.007 -7.688 -8.435 1.00 0.00 C ATOM 658 CD LYS A 45 19.163 -8.794 -7.823 1.00 0.00 C ATOM 659 CE LYS A 45 18.156 -9.339 -8.822 1.00 0.00 C ATOM 660 NZ LYS A 45 16.939 -9.875 -8.151 1.00 0.00 N ATOM 0 H LYS A 45 17.432 -4.751 -9.147 1.00 0.00 H new ATOM 0 HA LYS A 45 17.615 -6.814 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 45 18.537 -6.743 -9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.811 -5.671 -9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.517 -8.066 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.779 -7.384 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.811 -9.601 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.639 -8.412 -6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.869 -8.549 -9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.622 -10.128 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.278 -10.237 -8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.209 -10.647 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.479 -9.116 -7.608 1.00 0.00 H new ATOM 674 N THR A 46 19.800 -4.420 -6.670 1.00 0.00 N ATOM 675 CA THR A 46 20.664 -3.880 -5.627 1.00 0.00 C ATOM 676 C THR A 46 20.011 -4.002 -4.252 1.00 0.00 C ATOM 677 O THR A 46 20.334 -4.907 -3.483 1.00 0.00 O ATOM 678 CB THR A 46 21.002 -2.418 -5.922 1.00 0.00 C ATOM 679 OG1 THR A 46 20.693 -2.094 -7.266 1.00 0.00 O ATOM 680 CG2 THR A 46 22.460 -2.084 -5.692 1.00 0.00 C ATOM 0 H THR A 46 19.774 -3.864 -7.525 1.00 0.00 H new ATOM 0 HA THR A 46 21.585 -4.463 -5.618 1.00 0.00 H new ATOM 0 HB THR A 46 20.398 -1.835 -5.227 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.914 -1.154 -7.435 1.00 0.00 H new ATOM 0 HG21 THR A 46 22.633 -1.032 -5.919 1.00 0.00 H new ATOM 0 HG22 THR A 46 22.718 -2.277 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 46 23.081 -2.702 -6.340 1.00 0.00 H new ATOM 688 N MET A 47 19.096 -3.083 -3.948 1.00 0.00 N ATOM 689 CA MET A 47 18.402 -3.083 -2.663 1.00 0.00 C ATOM 690 C MET A 47 19.294 -3.640 -1.557 1.00 0.00 C ATOM 691 O MET A 47 18.814 -4.290 -0.628 1.00 0.00 O ATOM 692 CB MET A 47 17.106 -3.894 -2.748 1.00 0.00 C ATOM 693 CG MET A 47 17.302 -5.316 -3.245 1.00 0.00 C ATOM 694 SD MET A 47 16.943 -6.548 -1.979 1.00 0.00 S ATOM 695 CE MET A 47 16.952 -8.048 -2.957 1.00 0.00 C ATOM 0 H MET A 47 18.818 -2.328 -4.575 1.00 0.00 H new ATOM 0 HA MET A 47 18.156 -2.049 -2.420 1.00 0.00 H new ATOM 0 HB2 MET A 47 16.643 -3.925 -1.762 1.00 0.00 H new ATOM 0 HB3 MET A 47 16.410 -3.380 -3.411 1.00 0.00 H new ATOM 0 HG2 MET A 47 16.657 -5.488 -4.107 1.00 0.00 H new ATOM 0 HG3 MET A 47 18.330 -5.439 -3.586 1.00 0.00 H new ATOM 0 HE1 MET A 47 16.745 -8.903 -2.314 1.00 0.00 H new ATOM 0 HE2 MET A 47 16.187 -7.982 -3.731 1.00 0.00 H new ATOM 0 HE3 MET A 47 17.930 -8.173 -3.422 1.00 0.00 H new ATOM 705 N LEU A 48 20.594 -3.381 -1.663 1.00 0.00 N ATOM 706 CA LEU A 48 21.550 -3.858 -0.670 1.00 0.00 C ATOM 707 C LEU A 48 21.739 -2.830 0.439 1.00 0.00 C ATOM 708 O LEU A 48 22.787 -2.191 0.536 1.00 0.00 O ATOM 709 CB LEU A 48 22.896 -4.171 -1.327 1.00 0.00 C ATOM 710 CG LEU A 48 23.450 -5.563 -1.023 1.00 0.00 C ATOM 711 CD1 LEU A 48 24.320 -6.056 -2.168 1.00 0.00 C ATOM 712 CD2 LEU A 48 24.235 -5.549 0.280 1.00 0.00 C ATOM 0 H LEU A 48 21.009 -2.845 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 48 21.150 -4.772 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.791 -4.065 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.624 -3.427 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 48 22.612 -6.251 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.704 -7.048 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 48 23.727 -6.105 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.154 -5.369 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.623 -6.548 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.065 -4.847 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 48 23.581 -5.242 1.096 1.00 0.00 H new ATOM 724 N VAL A 49 20.718 -2.678 1.275 1.00 0.00 N ATOM 725 CA VAL A 49 20.767 -1.731 2.381 1.00 0.00 C ATOM 726 C VAL A 49 19.936 -2.226 3.559 1.00 0.00 C ATOM 727 O VAL A 49 18.928 -2.909 3.377 1.00 0.00 O ATOM 728 CB VAL A 49 20.254 -0.340 1.960 1.00 0.00 C ATOM 729 CG1 VAL A 49 21.309 0.401 1.152 1.00 0.00 C ATOM 730 CG2 VAL A 49 18.958 -0.465 1.173 1.00 0.00 C ATOM 0 H VAL A 49 19.845 -3.200 1.207 1.00 0.00 H new ATOM 0 HA VAL A 49 21.812 -1.648 2.679 1.00 0.00 H new ATOM 0 HB VAL A 49 20.051 0.239 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.926 1.380 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 49 22.208 0.525 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.549 -0.171 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 49 18.611 0.527 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.132 -1.063 0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.202 -0.948 1.792 1.00 0.00 H new ATOM 740 N GLN A 50 20.363 -1.873 4.765 1.00 0.00 N ATOM 741 CA GLN A 50 19.655 -2.276 5.973 1.00 0.00 C ATOM 742 C GLN A 50 18.742 -1.155 6.456 1.00 0.00 C ATOM 743 O GLN A 50 18.271 -1.171 7.592 1.00 0.00 O ATOM 744 CB GLN A 50 20.649 -2.649 7.073 1.00 0.00 C ATOM 745 CG GLN A 50 21.225 -4.048 6.925 1.00 0.00 C ATOM 746 CD GLN A 50 21.185 -4.836 8.220 1.00 0.00 C ATOM 747 OE1 GLN A 50 22.124 -4.792 9.015 1.00 0.00 O ATOM 748 NE2 GLN A 50 20.096 -5.563 8.438 1.00 0.00 N ATOM 0 H GLN A 50 21.196 -1.309 4.932 1.00 0.00 H new ATOM 0 HA GLN A 50 19.045 -3.148 5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 50 21.466 -1.927 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.154 -2.570 8.041 1.00 0.00 H new ATOM 0 HG2 GLN A 50 20.668 -4.587 6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 50 22.256 -3.977 6.579 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.342 -5.570 7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.014 -6.115 9.292 1.00 0.00 H new ATOM 757 N LYS A 51 18.504 -0.179 5.585 1.00 0.00 N ATOM 758 CA LYS A 51 17.654 0.954 5.924 1.00 0.00 C ATOM 759 C LYS A 51 18.135 1.613 7.211 1.00 0.00 C ATOM 760 O LYS A 51 17.348 2.198 7.956 1.00 0.00 O ATOM 761 CB LYS A 51 16.199 0.505 6.073 1.00 0.00 C ATOM 762 CG LYS A 51 15.223 1.334 5.254 1.00 0.00 C ATOM 763 CD LYS A 51 14.475 2.330 6.124 1.00 0.00 C ATOM 764 CE LYS A 51 14.129 3.592 5.351 1.00 0.00 C ATOM 765 NZ LYS A 51 12.978 3.380 4.430 1.00 0.00 N ATOM 0 H LYS A 51 18.888 -0.151 4.640 1.00 0.00 H new ATOM 0 HA LYS A 51 17.713 1.683 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.117 -0.540 5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.916 0.558 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.763 1.866 4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.510 0.675 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.561 1.871 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.084 2.588 6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.891 4.393 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.998 3.917 4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.741 4.276 3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.232 2.669 3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.156 3.046 4.973 1.00 0.00 H new ATOM 779 N ASN A 52 19.435 1.511 7.467 1.00 0.00 N ATOM 780 CA ASN A 52 20.026 2.093 8.664 1.00 0.00 C ATOM 781 C ASN A 52 19.268 1.650 9.909 1.00 0.00 C ATOM 782 O ASN A 52 19.352 2.288 10.958 1.00 0.00 O ATOM 783 CB ASN A 52 20.023 3.618 8.570 1.00 0.00 C ATOM 784 CG ASN A 52 21.297 4.164 7.955 1.00 0.00 C ATOM 785 OD1 ASN A 52 22.380 3.613 8.150 1.00 0.00 O ATOM 786 ND2 ASN A 52 21.172 5.255 7.207 1.00 0.00 N ATOM 0 H ASN A 52 20.099 1.030 6.860 1.00 0.00 H new ATOM 0 HA ASN A 52 21.056 1.743 8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.169 3.940 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.895 4.040 9.567 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.994 5.669 6.767 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.254 5.679 7.072 1.00 0.00 H new ATOM 793 N VAL A 53 18.526 0.555 9.783 1.00 0.00 N ATOM 794 CA VAL A 53 17.749 0.028 10.897 1.00 0.00 C ATOM 795 C VAL A 53 17.196 -1.356 10.577 1.00 0.00 C ATOM 796 O VAL A 53 16.832 -1.643 9.437 1.00 0.00 O ATOM 797 CB VAL A 53 16.582 0.966 11.256 1.00 0.00 C ATOM 798 CG1 VAL A 53 17.062 2.092 12.158 1.00 0.00 C ATOM 799 CG2 VAL A 53 15.938 1.523 9.995 1.00 0.00 C ATOM 0 H VAL A 53 18.447 0.016 8.921 1.00 0.00 H new ATOM 0 HA VAL A 53 18.424 -0.044 11.749 1.00 0.00 H new ATOM 0 HB VAL A 53 15.831 0.391 11.798 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.224 2.745 12.402 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.474 1.672 13.076 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.833 2.667 11.644 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.115 2.184 10.268 1.00 0.00 H new ATOM 0 HG22 VAL A 53 16.679 2.083 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.558 0.702 9.388 1.00 0.00 H new ATOM 809 N THR A 54 17.137 -2.212 11.592 1.00 0.00 N ATOM 810 CA THR A 54 16.627 -3.567 11.422 1.00 0.00 C ATOM 811 C THR A 54 15.337 -3.764 12.211 1.00 0.00 C ATOM 812 O THR A 54 15.016 -4.878 12.626 1.00 0.00 O ATOM 813 CB THR A 54 17.673 -4.588 11.873 1.00 0.00 C ATOM 814 OG1 THR A 54 18.972 -4.184 11.477 1.00 0.00 O ATOM 815 CG2 THR A 54 17.432 -5.977 11.319 1.00 0.00 C ATOM 0 H THR A 54 17.436 -1.991 12.542 1.00 0.00 H new ATOM 0 HA THR A 54 16.413 -3.718 10.364 1.00 0.00 H new ATOM 0 HB THR A 54 17.588 -4.629 12.959 1.00 0.00 H new ATOM 0 HG1 THR A 54 19.627 -4.849 11.776 1.00 0.00 H new ATOM 0 HG21 THR A 54 18.209 -6.652 11.678 1.00 0.00 H new ATOM 0 HG22 THR A 54 16.458 -6.337 11.650 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.455 -5.943 10.230 1.00 0.00 H new ATOM 823 N SER A 55 14.602 -2.676 12.416 1.00 0.00 N ATOM 824 CA SER A 55 13.347 -2.730 13.158 1.00 0.00 C ATOM 825 C SER A 55 12.188 -3.101 12.238 1.00 0.00 C ATOM 826 O SER A 55 11.512 -2.229 11.691 1.00 0.00 O ATOM 827 CB SER A 55 13.071 -1.384 13.832 1.00 0.00 C ATOM 828 OG SER A 55 12.226 -1.540 14.960 1.00 0.00 O ATOM 0 H SER A 55 14.853 -1.747 12.079 1.00 0.00 H new ATOM 0 HA SER A 55 13.438 -3.499 13.925 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.012 -0.928 14.139 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.606 -0.705 13.117 1.00 0.00 H new ATOM 0 HG SER A 55 12.067 -0.666 15.373 1.00 0.00 H new ATOM 834 N GLU A 56 11.964 -4.400 12.072 1.00 0.00 N ATOM 835 CA GLU A 56 10.886 -4.884 11.219 1.00 0.00 C ATOM 836 C GLU A 56 10.751 -4.021 9.969 1.00 0.00 C ATOM 837 O GLU A 56 11.706 -3.373 9.542 1.00 0.00 O ATOM 838 CB GLU A 56 9.563 -4.891 11.989 1.00 0.00 C ATOM 839 CG GLU A 56 9.702 -5.324 13.440 1.00 0.00 C ATOM 840 CD GLU A 56 8.362 -5.477 14.133 1.00 0.00 C ATOM 841 OE1 GLU A 56 7.323 -5.318 13.459 1.00 0.00 O ATOM 842 OE2 GLU A 56 8.352 -5.756 15.351 1.00 0.00 O ATOM 0 H GLU A 56 12.514 -5.135 12.516 1.00 0.00 H new ATOM 0 HA GLU A 56 11.129 -5.902 10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.129 -3.892 11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.863 -5.558 11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.239 -6.271 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.304 -4.592 13.978 1.00 0.00 H new ATOM 849 N SER A 57 9.556 -4.019 9.390 1.00 0.00 N ATOM 850 CA SER A 57 9.283 -3.238 8.189 1.00 0.00 C ATOM 851 C SER A 57 7.787 -3.222 7.892 1.00 0.00 C ATOM 852 O SER A 57 7.231 -2.199 7.493 1.00 0.00 O ATOM 853 CB SER A 57 10.050 -3.813 6.996 1.00 0.00 C ATOM 854 OG SER A 57 10.890 -4.881 7.399 1.00 0.00 O ATOM 0 H SER A 57 8.757 -4.552 9.734 1.00 0.00 H new ATOM 0 HA SER A 57 9.615 -2.214 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.346 -4.164 6.242 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.649 -3.029 6.533 1.00 0.00 H new ATOM 0 HG SER A 57 11.368 -5.233 6.619 1.00 0.00 H new ATOM 860 N THR A 58 7.141 -4.364 8.101 1.00 0.00 N ATOM 861 CA THR A 58 5.707 -4.490 7.870 1.00 0.00 C ATOM 862 C THR A 58 5.343 -4.178 6.421 1.00 0.00 C ATOM 863 O THR A 58 6.173 -3.701 5.647 1.00 0.00 O ATOM 864 CB THR A 58 4.937 -3.564 8.812 1.00 0.00 C ATOM 865 OG1 THR A 58 5.760 -3.146 9.886 1.00 0.00 O ATOM 866 CG2 THR A 58 3.702 -4.207 9.403 1.00 0.00 C ATOM 0 H THR A 58 7.590 -5.218 8.431 1.00 0.00 H new ATOM 0 HA THR A 58 5.428 -5.524 8.072 1.00 0.00 H new ATOM 0 HB THR A 58 4.628 -2.718 8.199 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.379 -2.342 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.202 -3.497 10.062 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.024 -4.497 8.601 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.989 -5.091 9.973 1.00 0.00 H new ATOM 874 N CYS A 59 4.091 -4.453 6.066 1.00 0.00 N ATOM 875 CA CYS A 59 3.599 -4.208 4.715 1.00 0.00 C ATOM 876 C CYS A 59 2.120 -4.565 4.610 1.00 0.00 C ATOM 877 O CYS A 59 1.718 -5.686 4.922 1.00 0.00 O ATOM 878 CB CYS A 59 4.406 -5.015 3.696 1.00 0.00 C ATOM 879 SG CYS A 59 4.284 -6.819 3.914 1.00 0.00 S ATOM 0 H CYS A 59 3.396 -4.848 6.700 1.00 0.00 H new ATOM 0 HA CYS A 59 3.719 -3.147 4.496 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.066 -4.757 2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.454 -4.721 3.763 1.00 0.00 H new ATOM 884 N CYS A 60 1.312 -3.602 4.181 1.00 0.00 N ATOM 885 CA CYS A 60 -0.124 -3.815 4.050 1.00 0.00 C ATOM 886 C CYS A 60 -0.515 -4.167 2.620 1.00 0.00 C ATOM 887 O CYS A 60 0.338 -4.334 1.748 1.00 0.00 O ATOM 888 CB CYS A 60 -0.890 -2.574 4.509 1.00 0.00 C ATOM 889 SG CYS A 60 -0.205 -1.003 3.894 1.00 0.00 S ATOM 0 H CYS A 60 1.626 -2.668 3.918 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.388 -4.659 4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.926 -2.659 4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.901 -2.550 5.599 1.00 0.00 H new ATOM 894 N VAL A 61 -1.819 -4.286 2.401 1.00 0.00 N ATOM 895 CA VAL A 61 -2.361 -4.627 1.093 1.00 0.00 C ATOM 896 C VAL A 61 -3.860 -4.880 1.196 1.00 0.00 C ATOM 897 O VAL A 61 -4.346 -5.945 0.820 1.00 0.00 O ATOM 898 CB VAL A 61 -1.673 -5.878 0.511 1.00 0.00 C ATOM 899 CG1 VAL A 61 -1.740 -7.034 1.498 1.00 0.00 C ATOM 900 CG2 VAL A 61 -2.298 -6.269 -0.819 1.00 0.00 C ATOM 0 H VAL A 61 -2.527 -4.149 3.122 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.174 -3.785 0.427 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.624 -5.639 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.249 -7.908 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.236 -6.752 2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.782 -7.271 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.796 -7.154 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.356 -6.486 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.190 -5.448 -1.527 1.00 0.00 H new ATOM 910 N ALA A 62 -4.582 -3.893 1.725 1.00 0.00 N ATOM 911 CA ALA A 62 -6.027 -3.999 1.904 1.00 0.00 C ATOM 912 C ALA A 62 -6.427 -5.403 2.342 1.00 0.00 C ATOM 913 O ALA A 62 -6.379 -6.351 1.559 1.00 0.00 O ATOM 914 CB ALA A 62 -6.761 -3.613 0.630 1.00 0.00 C ATOM 0 H ALA A 62 -4.186 -3.007 2.038 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.313 -3.303 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.836 -3.700 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.515 -2.584 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.459 -4.277 -0.180 1.00 0.00 H new ATOM 920 N LYS A 63 -6.844 -5.521 3.596 1.00 0.00 N ATOM 921 CA LYS A 63 -7.274 -6.792 4.141 1.00 0.00 C ATOM 922 C LYS A 63 -8.388 -7.346 3.283 1.00 0.00 C ATOM 923 O LYS A 63 -8.422 -8.533 2.956 1.00 0.00 O ATOM 924 CB LYS A 63 -7.773 -6.601 5.568 1.00 0.00 C ATOM 925 CG LYS A 63 -7.911 -7.900 6.335 1.00 0.00 C ATOM 926 CD LYS A 63 -8.837 -7.743 7.529 1.00 0.00 C ATOM 927 CE LYS A 63 -8.122 -7.101 8.707 1.00 0.00 C ATOM 928 NZ LYS A 63 -7.881 -5.647 8.488 1.00 0.00 N ATOM 0 H LYS A 63 -6.892 -4.744 4.255 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.435 -7.488 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.085 -5.944 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.740 -6.098 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.296 -8.676 5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.929 -8.230 6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.696 -7.134 7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.222 -8.719 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.716 -7.238 9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.170 -7.606 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.082 -5.126 9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.889 -5.497 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.504 -5.302 7.730 1.00 0.00 H new ATOM 942 N SER A 64 -9.289 -6.454 2.912 1.00 0.00 N ATOM 943 CA SER A 64 -10.414 -6.806 2.073 1.00 0.00 C ATOM 944 C SER A 64 -10.735 -5.658 1.130 1.00 0.00 C ATOM 945 O SER A 64 -11.242 -4.618 1.547 1.00 0.00 O ATOM 946 CB SER A 64 -11.635 -7.153 2.920 1.00 0.00 C ATOM 947 OG SER A 64 -11.259 -7.510 4.239 1.00 0.00 O ATOM 0 H SER A 64 -9.260 -5.471 3.183 1.00 0.00 H new ATOM 0 HA SER A 64 -10.147 -7.685 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.314 -6.301 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.179 -7.977 2.458 1.00 0.00 H new ATOM 0 HG SER A 64 -12.060 -7.726 4.760 1.00 0.00 H new ATOM 953 N TYR A 65 -10.414 -5.850 -0.138 1.00 0.00 N ATOM 954 CA TYR A 65 -10.644 -4.830 -1.147 1.00 0.00 C ATOM 955 C TYR A 65 -11.914 -5.072 -1.913 1.00 0.00 C ATOM 956 O TYR A 65 -12.522 -6.139 -1.830 1.00 0.00 O ATOM 957 CB TYR A 65 -9.503 -4.815 -2.144 1.00 0.00 C ATOM 958 CG TYR A 65 -8.914 -6.176 -2.425 1.00 0.00 C ATOM 959 CD1 TYR A 65 -7.988 -6.749 -1.563 1.00 0.00 C ATOM 960 CD2 TYR A 65 -9.285 -6.889 -3.558 1.00 0.00 C ATOM 961 CE1 TYR A 65 -7.449 -7.995 -1.822 1.00 0.00 C ATOM 962 CE2 TYR A 65 -8.752 -8.135 -3.824 1.00 0.00 C ATOM 963 CZ TYR A 65 -7.836 -8.684 -2.953 1.00 0.00 C ATOM 964 OH TYR A 65 -7.305 -9.925 -3.213 1.00 0.00 O ATOM 0 H TYR A 65 -9.991 -6.707 -0.495 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.718 -3.879 -0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.858 -4.384 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.716 -4.160 -1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.684 -6.212 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.003 -6.462 -4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.729 -8.427 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.051 -8.676 -4.710 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.683 -10.274 -4.047 1.00 0.00 H new ATOM 974 N ASN A 66 -12.282 -4.081 -2.701 1.00 0.00 N ATOM 975 CA ASN A 66 -13.462 -4.199 -3.539 1.00 0.00 C ATOM 976 C ASN A 66 -13.137 -3.657 -4.910 1.00 0.00 C ATOM 977 O ASN A 66 -13.999 -3.269 -5.697 1.00 0.00 O ATOM 978 CB ASN A 66 -14.645 -3.486 -2.898 1.00 0.00 C ATOM 979 CG ASN A 66 -15.927 -3.637 -3.694 1.00 0.00 C ATOM 980 OD1 ASN A 66 -15.984 -4.392 -4.664 1.00 0.00 O ATOM 981 ND2 ASN A 66 -16.962 -2.914 -3.285 1.00 0.00 N ATOM 0 H ASN A 66 -11.787 -3.192 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.751 -5.245 -3.642 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.799 -3.879 -1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -14.411 -2.427 -2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.852 -2.971 -3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -16.868 -2.301 -2.475 1.00 0.00 H new ATOM 988 N ARG A 67 -11.845 -3.661 -5.145 1.00 0.00 N ATOM 989 CA ARG A 67 -11.224 -3.194 -6.381 1.00 0.00 C ATOM 990 C ARG A 67 -12.238 -2.731 -7.415 1.00 0.00 C ATOM 991 O ARG A 67 -13.143 -3.465 -7.811 1.00 0.00 O ATOM 992 CB ARG A 67 -10.340 -4.291 -6.957 1.00 0.00 C ATOM 993 CG ARG A 67 -10.984 -5.651 -6.875 1.00 0.00 C ATOM 994 CD ARG A 67 -10.575 -6.541 -8.036 1.00 0.00 C ATOM 995 NE ARG A 67 -11.052 -7.910 -7.867 1.00 0.00 N ATOM 996 CZ ARG A 67 -12.334 -8.255 -7.930 1.00 0.00 C ATOM 997 NH1 ARG A 67 -13.261 -7.332 -8.144 1.00 0.00 N ATOM 998 NH2 ARG A 67 -12.689 -9.523 -7.777 1.00 0.00 N ATOM 0 H ARG A 67 -11.167 -4.000 -4.462 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.619 -2.323 -6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.113 -4.062 -7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.391 -4.308 -6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.706 -6.129 -5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.068 -5.540 -6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.971 -6.131 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.489 -6.544 -8.126 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.364 -8.642 -7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.991 -6.355 -8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.244 -7.598 -8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.978 -10.235 -7.611 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.673 -9.786 -7.826 1.00 0.00 H new ATOM 1012 N VAL A 68 -12.046 -1.495 -7.846 1.00 0.00 N ATOM 1013 CA VAL A 68 -12.901 -0.868 -8.846 1.00 0.00 C ATOM 1014 C VAL A 68 -12.105 -0.567 -10.097 1.00 0.00 C ATOM 1015 O VAL A 68 -12.246 0.498 -10.697 1.00 0.00 O ATOM 1016 CB VAL A 68 -13.521 0.449 -8.330 1.00 0.00 C ATOM 1017 CG1 VAL A 68 -14.144 0.258 -6.956 1.00 0.00 C ATOM 1018 CG2 VAL A 68 -12.475 1.558 -8.290 1.00 0.00 C ATOM 0 H VAL A 68 -11.291 -0.895 -7.513 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.705 -1.571 -9.065 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.310 0.741 -9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.573 1.201 -6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.928 -0.497 -7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.378 -0.067 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.933 2.477 -7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.662 1.267 -7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.082 1.723 -9.293 1.00 0.00 H new ATOM 1028 N THR A 69 -11.262 -1.513 -10.469 1.00 0.00 N ATOM 1029 CA THR A 69 -10.407 -1.374 -11.641 1.00 0.00 C ATOM 1030 C THR A 69 -10.831 -0.194 -12.503 1.00 0.00 C ATOM 1031 O THR A 69 -11.949 -0.148 -13.015 1.00 0.00 O ATOM 1032 CB THR A 69 -10.413 -2.646 -12.476 1.00 0.00 C ATOM 1033 OG1 THR A 69 -9.931 -3.746 -11.725 1.00 0.00 O ATOM 1034 CG2 THR A 69 -9.565 -2.526 -13.722 1.00 0.00 C ATOM 0 H THR A 69 -11.148 -2.397 -9.972 1.00 0.00 H new ATOM 0 HA THR A 69 -9.395 -1.193 -11.279 1.00 0.00 H new ATOM 0 HB THR A 69 -11.451 -2.805 -12.768 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.945 -4.553 -12.281 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.605 -3.461 -14.281 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.945 -1.715 -14.344 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.533 -2.315 -13.441 1.00 0.00 H new ATOM 1042 N VAL A 70 -9.925 0.758 -12.648 1.00 0.00 N ATOM 1043 CA VAL A 70 -10.184 1.951 -13.438 1.00 0.00 C ATOM 1044 C VAL A 70 -9.045 2.236 -14.398 1.00 0.00 C ATOM 1045 O VAL A 70 -8.119 1.439 -14.546 1.00 0.00 O ATOM 1046 CB VAL A 70 -10.393 3.190 -12.548 1.00 0.00 C ATOM 1047 CG1 VAL A 70 -11.664 3.923 -12.945 1.00 0.00 C ATOM 1048 CG2 VAL A 70 -10.430 2.803 -11.076 1.00 0.00 C ATOM 0 H VAL A 70 -8.997 0.728 -12.226 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.097 1.753 -14.000 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.548 3.862 -12.697 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.796 4.796 -12.305 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.590 4.243 -13.984 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.519 3.257 -12.830 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.579 3.696 -10.469 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.250 2.106 -10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.488 2.330 -10.800 1.00 0.00 H new ATOM 1058 N MET A 71 -9.127 3.384 -15.045 1.00 0.00 N ATOM 1059 CA MET A 71 -8.113 3.803 -15.998 1.00 0.00 C ATOM 1060 C MET A 71 -7.798 2.690 -16.982 1.00 0.00 C ATOM 1061 O MET A 71 -8.699 2.063 -17.538 1.00 0.00 O ATOM 1062 CB MET A 71 -6.847 4.235 -15.264 1.00 0.00 C ATOM 1063 CG MET A 71 -7.034 5.516 -14.490 1.00 0.00 C ATOM 1064 SD MET A 71 -5.510 6.109 -13.728 1.00 0.00 S ATOM 1065 CE MET A 71 -4.473 6.339 -15.171 1.00 0.00 C ATOM 0 H MET A 71 -9.892 4.049 -14.927 1.00 0.00 H new ATOM 0 HA MET A 71 -8.503 4.652 -16.560 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.540 3.443 -14.581 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.040 4.365 -15.985 1.00 0.00 H new ATOM 0 HG2 MET A 71 -7.422 6.284 -15.159 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.784 5.359 -13.715 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.556 6.852 -14.882 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.226 5.368 -15.600 1.00 0.00 H new ATOM 0 HE3 MET A 71 -5.006 6.938 -15.910 1.00 0.00 H new ATOM 1075 N GLY A 72 -6.514 2.451 -17.196 1.00 0.00 N ATOM 1076 CA GLY A 72 -6.105 1.420 -18.113 1.00 0.00 C ATOM 1077 C GLY A 72 -6.055 0.050 -17.464 1.00 0.00 C ATOM 1078 O GLY A 72 -5.299 -0.821 -17.895 1.00 0.00 O ATOM 0 H GLY A 72 -5.749 2.956 -16.748 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.795 1.394 -18.956 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.121 1.664 -18.514 1.00 0.00 H new ATOM 1082 N GLY A 73 -6.862 -0.139 -16.425 1.00 0.00 N ATOM 1083 CA GLY A 73 -6.893 -1.413 -15.730 1.00 0.00 C ATOM 1084 C GLY A 73 -6.378 -1.310 -14.309 1.00 0.00 C ATOM 1085 O GLY A 73 -5.954 -2.305 -13.720 1.00 0.00 O ATOM 0 H GLY A 73 -7.496 0.568 -16.052 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.915 -1.791 -15.716 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.292 -2.138 -16.279 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.411 -0.102 -13.756 1.00 0.00 N ATOM 1090 CA PHE A 74 -5.943 0.127 -12.396 1.00 0.00 C ATOM 1091 C PHE A 74 -6.674 -0.770 -11.409 1.00 0.00 C ATOM 1092 O PHE A 74 -7.475 -1.618 -11.800 1.00 0.00 O ATOM 1093 CB PHE A 74 -6.125 1.594 -12.009 1.00 0.00 C ATOM 1094 CG PHE A 74 -5.008 2.477 -12.487 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -4.601 2.445 -13.811 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -4.363 3.336 -11.613 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -3.572 3.253 -14.255 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -3.333 4.147 -12.050 1.00 0.00 C ATOM 1099 CZ PHE A 74 -2.937 4.106 -13.373 1.00 0.00 C ATOM 0 H PHE A 74 -6.757 0.733 -14.229 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.882 -0.118 -12.360 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.067 1.957 -12.420 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.200 1.670 -10.924 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.094 1.780 -14.505 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.669 3.373 -10.578 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.265 3.218 -15.290 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.838 4.812 -11.358 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.133 4.739 -13.717 1.00 0.00 H new ATOM 1109 N LYS A 75 -6.383 -0.586 -10.128 1.00 0.00 N ATOM 1110 CA LYS A 75 -7.010 -1.391 -9.089 1.00 0.00 C ATOM 1111 C LYS A 75 -6.803 -0.783 -7.703 1.00 0.00 C ATOM 1112 O LYS A 75 -5.728 -0.905 -7.116 1.00 0.00 O ATOM 1113 CB LYS A 75 -6.442 -2.810 -9.118 1.00 0.00 C ATOM 1114 CG LYS A 75 -7.295 -3.791 -9.902 1.00 0.00 C ATOM 1115 CD LYS A 75 -7.500 -5.083 -9.130 1.00 0.00 C ATOM 1116 CE LYS A 75 -6.177 -5.771 -8.836 1.00 0.00 C ATOM 1117 NZ LYS A 75 -6.045 -6.131 -7.397 1.00 0.00 N ATOM 0 H LYS A 75 -5.721 0.110 -9.785 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.081 -1.417 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.442 -2.783 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.336 -3.171 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.262 -3.340 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.818 -4.008 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.017 -4.871 -8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.141 -5.753 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.093 -6.671 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.355 -5.115 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.080 -5.917 -7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.728 -5.582 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.234 -7.146 -7.274 1.00 0.00 H new ATOM 1131 N VAL A 76 -7.846 -0.147 -7.179 1.00 0.00 N ATOM 1132 CA VAL A 76 -7.790 0.461 -5.849 1.00 0.00 C ATOM 1133 C VAL A 76 -8.303 -0.489 -4.834 1.00 0.00 C ATOM 1134 O VAL A 76 -8.522 -0.132 -3.676 1.00 0.00 O ATOM 1135 CB VAL A 76 -8.668 1.714 -5.761 1.00 0.00 C ATOM 1136 CG1 VAL A 76 -8.027 2.850 -6.537 1.00 0.00 C ATOM 1137 CG2 VAL A 76 -10.033 1.349 -6.336 1.00 0.00 C ATOM 0 H VAL A 76 -8.742 -0.038 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.747 0.721 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.778 2.050 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.657 3.737 -6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.045 3.069 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.918 2.561 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.690 2.217 -6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.918 1.033 -7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.467 0.535 -5.755 1.00 0.00 H new ATOM 1147 N GLU A 77 -8.517 -1.692 -5.284 1.00 0.00 N ATOM 1148 CA GLU A 77 -9.051 -2.710 -4.412 1.00 0.00 C ATOM 1149 C GLU A 77 -9.917 -1.980 -3.398 1.00 0.00 C ATOM 1150 O GLU A 77 -9.820 -2.210 -2.197 1.00 0.00 O ATOM 1151 CB GLU A 77 -7.888 -3.456 -3.746 1.00 0.00 C ATOM 1152 CG GLU A 77 -6.525 -3.058 -4.278 1.00 0.00 C ATOM 1153 CD GLU A 77 -6.389 -3.303 -5.767 1.00 0.00 C ATOM 1154 OE1 GLU A 77 -7.367 -3.780 -6.382 1.00 0.00 O ATOM 1155 OE2 GLU A 77 -5.304 -3.020 -6.318 1.00 0.00 O ATOM 0 H GLU A 77 -8.333 -1.995 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.646 -3.455 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.917 -3.272 -2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.026 -4.528 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.351 -2.002 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.754 -3.618 -3.749 1.00 0.00 H new ATOM 1162 N ASN A 78 -10.701 -1.019 -3.936 1.00 0.00 N ATOM 1163 CA ASN A 78 -11.530 -0.112 -3.133 1.00 0.00 C ATOM 1164 C ASN A 78 -11.467 -0.582 -1.720 1.00 0.00 C ATOM 1165 O ASN A 78 -12.451 -1.023 -1.126 1.00 0.00 O ATOM 1166 CB ASN A 78 -12.983 0.013 -3.590 1.00 0.00 C ATOM 1167 CG ASN A 78 -13.387 -1.019 -4.596 1.00 0.00 C ATOM 1168 OD1 ASN A 78 -12.612 -1.378 -5.475 1.00 0.00 O ATOM 1169 ND2 ASN A 78 -14.622 -1.482 -4.482 1.00 0.00 N ATOM 0 H ASN A 78 -10.772 -0.856 -4.940 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.124 0.893 -3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.636 -0.064 -2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.137 1.004 -4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.971 -2.173 -5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.225 -1.148 -3.730 1.00 0.00 H new ATOM 1176 N HIS A 79 -10.256 -0.543 -1.231 1.00 0.00 N ATOM 1177 CA HIS A 79 -9.945 -1.017 0.079 1.00 0.00 C ATOM 1178 C HIS A 79 -11.124 -0.949 1.012 1.00 0.00 C ATOM 1179 O HIS A 79 -11.617 0.118 1.372 1.00 0.00 O ATOM 1180 CB HIS A 79 -8.740 -0.284 0.638 1.00 0.00 C ATOM 1181 CG HIS A 79 -7.533 -0.564 -0.169 1.00 0.00 C ATOM 1182 ND1 HIS A 79 -7.433 -1.272 -1.308 1.00 0.00 N flip ATOM 1183 CD2 HIS A 79 -6.275 -0.107 0.118 1.00 0.00 C flip ATOM 1184 CE1 HIS A 79 -6.112 -1.259 -1.743 1.00 0.00 C flip ATOM 1185 NE2 HIS A 79 -5.455 -0.541 -0.849 1.00 0.00 N flip ATOM 0 H HIS A 79 -9.453 -0.176 -1.742 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.691 -2.073 -0.008 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -8.934 0.788 0.649 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.571 -0.588 1.671 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.205 -1.744 -1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.994 0.495 0.970 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.709 -1.735 -2.625 1.00 0.00 H new ATOM 1193 N THR A 80 -11.550 -2.123 1.400 1.00 0.00 N ATOM 1194 CA THR A 80 -12.657 -2.274 2.319 1.00 0.00 C ATOM 1195 C THR A 80 -12.090 -2.596 3.693 1.00 0.00 C ATOM 1196 O THR A 80 -12.765 -2.465 4.715 1.00 0.00 O ATOM 1197 CB THR A 80 -13.605 -3.368 1.829 1.00 0.00 C ATOM 1198 OG1 THR A 80 -13.322 -4.601 2.462 1.00 0.00 O ATOM 1199 CG2 THR A 80 -13.531 -3.585 0.329 1.00 0.00 C ATOM 0 H THR A 80 -11.141 -3.004 1.090 1.00 0.00 H new ATOM 0 HA THR A 80 -13.236 -1.353 2.378 1.00 0.00 H new ATOM 0 HB THR A 80 -14.607 -3.023 2.083 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.355 -4.761 2.449 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.226 -4.373 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.796 -2.661 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.518 -3.876 0.053 1.00 0.00 H new ATOM 1207 N ALA A 81 -10.818 -2.995 3.692 1.00 0.00 N ATOM 1208 CA ALA A 81 -10.099 -3.318 4.913 1.00 0.00 C ATOM 1209 C ALA A 81 -8.599 -3.296 4.638 1.00 0.00 C ATOM 1210 O ALA A 81 -8.164 -3.661 3.548 1.00 0.00 O ATOM 1211 CB ALA A 81 -10.533 -4.674 5.447 1.00 0.00 C ATOM 0 H ALA A 81 -10.262 -3.102 2.843 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.330 -2.573 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.983 -4.898 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.602 -4.656 5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.325 -5.442 4.702 1.00 0.00 H new ATOM 1217 N CYS A 82 -7.813 -2.853 5.612 1.00 0.00 N ATOM 1218 CA CYS A 82 -6.364 -2.780 5.440 1.00 0.00 C ATOM 1219 C CYS A 82 -5.642 -3.541 6.546 1.00 0.00 C ATOM 1220 O CYS A 82 -6.230 -3.854 7.582 1.00 0.00 O ATOM 1221 CB CYS A 82 -5.903 -1.325 5.433 1.00 0.00 C ATOM 1222 SG CYS A 82 -4.497 -1.003 4.320 1.00 0.00 S ATOM 0 H CYS A 82 -8.149 -2.541 6.523 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.118 -3.241 4.483 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.739 -0.690 5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.625 -1.037 6.447 1.00 0.00 H new ATOM 1227 N HIS A 83 -4.361 -3.829 6.326 1.00 0.00 N ATOM 1228 CA HIS A 83 -3.565 -4.543 7.317 1.00 0.00 C ATOM 1229 C HIS A 83 -2.107 -4.674 6.882 1.00 0.00 C ATOM 1230 O HIS A 83 -1.791 -5.396 5.937 1.00 0.00 O ATOM 1231 CB HIS A 83 -4.159 -5.922 7.587 1.00 0.00 C ATOM 1232 CG HIS A 83 -3.757 -6.968 6.593 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -3.918 -7.025 5.249 1.00 0.00 N flip ATOM 1234 CD2 HIS A 83 -3.115 -8.135 6.950 1.00 0.00 C flip ATOM 1235 CE1 HIS A 83 -3.376 -8.214 4.826 1.00 0.00 C flip ATOM 1236 NE2 HIS A 83 -2.898 -8.864 5.870 1.00 0.00 N flip ATOM 0 H HIS A 83 -3.856 -3.580 5.475 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.588 -3.959 8.237 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.857 -6.247 8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -5.246 -5.842 7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.834 -8.410 7.956 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.346 -8.561 3.804 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.439 -9.775 5.847 1.00 0.00 H new ATOM 1245 N CYS A 84 -1.225 -3.978 7.595 1.00 0.00 N ATOM 1246 CA CYS A 84 0.209 -4.017 7.304 1.00 0.00 C ATOM 1247 C CYS A 84 0.902 -5.054 8.179 1.00 0.00 C ATOM 1248 O CYS A 84 0.789 -5.023 9.405 1.00 0.00 O ATOM 1249 CB CYS A 84 0.849 -2.633 7.494 1.00 0.00 C ATOM 1250 SG CYS A 84 1.067 -2.117 9.231 1.00 0.00 S ATOM 0 H CYS A 84 -1.477 -3.378 8.381 1.00 0.00 H new ATOM 0 HA CYS A 84 0.335 -4.304 6.260 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.823 -2.629 7.004 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.233 -1.891 6.985 1.00 0.00 H new ATOM 1255 N SER A 85 1.608 -5.984 7.539 1.00 0.00 N ATOM 1256 CA SER A 85 2.304 -7.044 8.262 1.00 0.00 C ATOM 1257 C SER A 85 3.662 -7.351 7.639 1.00 0.00 C ATOM 1258 O SER A 85 4.058 -6.740 6.648 1.00 0.00 O ATOM 1259 CB SER A 85 1.449 -8.313 8.285 1.00 0.00 C ATOM 1260 OG SER A 85 0.396 -8.237 7.339 1.00 0.00 O ATOM 0 H SER A 85 1.713 -6.024 6.525 1.00 0.00 H new ATOM 0 HA SER A 85 2.470 -6.695 9.281 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.074 -9.180 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.035 -8.458 9.283 1.00 0.00 H new ATOM 0 HG SER A 85 -0.134 -9.060 7.373 1.00 0.00 H new ATOM 1266 N THR A 86 4.370 -8.308 8.233 1.00 0.00 N ATOM 1267 CA THR A 86 5.687 -8.706 7.747 1.00 0.00 C ATOM 1268 C THR A 86 5.598 -9.306 6.346 1.00 0.00 C ATOM 1269 O THR A 86 4.507 -9.553 5.833 1.00 0.00 O ATOM 1270 CB THR A 86 6.316 -9.719 8.704 1.00 0.00 C ATOM 1271 OG1 THR A 86 5.534 -10.897 8.771 1.00 0.00 O ATOM 1272 CG2 THR A 86 6.474 -9.193 10.115 1.00 0.00 C ATOM 0 H THR A 86 4.052 -8.823 9.054 1.00 0.00 H new ATOM 0 HA THR A 86 6.313 -7.815 7.700 1.00 0.00 H new ATOM 0 HB THR A 86 7.306 -9.924 8.297 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.954 -11.534 9.387 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.926 -9.962 10.741 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.114 -8.311 10.105 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.496 -8.927 10.516 1.00 0.00 H new ATOM 1280 N CYS A 87 6.756 -9.539 5.736 1.00 0.00 N ATOM 1281 CA CYS A 87 6.816 -10.113 4.396 1.00 0.00 C ATOM 1282 C CYS A 87 8.261 -10.244 3.925 1.00 0.00 C ATOM 1283 O CYS A 87 8.880 -9.265 3.506 1.00 0.00 O ATOM 1284 CB CYS A 87 6.024 -9.252 3.414 1.00 0.00 C ATOM 1285 SG CYS A 87 6.196 -7.462 3.693 1.00 0.00 S ATOM 0 H CYS A 87 7.667 -9.339 6.149 1.00 0.00 H new ATOM 0 HA CYS A 87 6.373 -11.108 4.434 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.349 -9.484 2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 87 4.970 -9.520 3.480 1.00 0.00 H new ATOM 1290 N TYR A 88 8.793 -11.458 4.000 1.00 0.00 N ATOM 1291 CA TYR A 88 10.167 -11.718 3.585 1.00 0.00 C ATOM 1292 C TYR A 88 10.453 -11.099 2.221 1.00 0.00 C ATOM 1293 O TYR A 88 9.928 -11.546 1.201 1.00 0.00 O ATOM 1294 CB TYR A 88 10.436 -13.223 3.535 1.00 0.00 C ATOM 1295 CG TYR A 88 9.183 -14.061 3.421 1.00 0.00 C ATOM 1296 CD1 TYR A 88 8.289 -13.871 2.374 1.00 0.00 C ATOM 1297 CD2 TYR A 88 8.893 -15.040 4.362 1.00 0.00 C ATOM 1298 CE1 TYR A 88 7.141 -14.633 2.269 1.00 0.00 C ATOM 1299 CE2 TYR A 88 7.748 -15.807 4.264 1.00 0.00 C ATOM 1300 CZ TYR A 88 6.875 -15.600 3.216 1.00 0.00 C ATOM 1301 OH TYR A 88 5.734 -16.362 3.117 1.00 0.00 O ATOM 0 H TYR A 88 8.294 -12.278 4.344 1.00 0.00 H new ATOM 0 HA TYR A 88 10.829 -11.261 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 88 11.085 -13.439 2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.978 -13.516 4.434 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.495 -13.115 1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.574 -15.205 5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.456 -14.472 1.450 1.00 0.00 H new ATOM 0 HE2 TYR A 88 7.537 -16.565 5.004 1.00 0.00 H new ATOM 0 HH TYR A 88 5.699 -16.997 3.863 1.00 0.00 H new ATOM 1311 N TYR A 89 11.295 -10.072 2.211 1.00 0.00 N ATOM 1312 CA TYR A 89 11.661 -9.395 0.973 1.00 0.00 C ATOM 1313 C TYR A 89 12.711 -10.201 0.211 1.00 0.00 C ATOM 1314 O TYR A 89 13.881 -9.823 0.162 1.00 0.00 O ATOM 1315 CB TYR A 89 12.199 -7.996 1.277 1.00 0.00 C ATOM 1316 CG TYR A 89 11.154 -6.906 1.186 1.00 0.00 C ATOM 1317 CD1 TYR A 89 9.808 -7.185 1.392 1.00 0.00 C ATOM 1318 CD2 TYR A 89 11.515 -5.596 0.894 1.00 0.00 C ATOM 1319 CE1 TYR A 89 8.852 -6.189 1.311 1.00 0.00 C ATOM 1320 CE2 TYR A 89 10.565 -4.595 0.811 1.00 0.00 C ATOM 1321 CZ TYR A 89 9.236 -4.896 1.020 1.00 0.00 C ATOM 1322 OH TYR A 89 8.288 -3.901 0.938 1.00 0.00 O ATOM 0 H TYR A 89 11.737 -9.690 3.047 1.00 0.00 H new ATOM 0 HA TYR A 89 10.770 -9.307 0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 89 12.628 -7.992 2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.008 -7.769 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.504 -8.196 1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 89 12.555 -5.356 0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.810 -6.422 1.475 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.863 -3.582 0.584 1.00 0.00 H new ATOM 0 HH TYR A 89 8.725 -3.050 0.727 1.00 0.00 H new ATOM 1332 N HIS A 90 12.287 -11.318 -0.373 1.00 0.00 N ATOM 1333 CA HIS A 90 13.194 -12.182 -1.122 1.00 0.00 C ATOM 1334 C HIS A 90 13.169 -11.855 -2.613 1.00 0.00 C ATOM 1335 O HIS A 90 14.027 -12.308 -3.370 1.00 0.00 O ATOM 1336 CB HIS A 90 12.829 -13.652 -0.903 1.00 0.00 C ATOM 1337 CG HIS A 90 11.415 -13.983 -1.272 1.00 0.00 C ATOM 1338 ND1 HIS A 90 10.395 -13.192 -1.681 1.00 0.00 N flip ATOM 1339 CD2 HIS A 90 10.912 -15.267 -1.242 1.00 0.00 C flip ATOM 1340 CE1 HIS A 90 9.307 -14.003 -1.888 1.00 0.00 C flip ATOM 1341 NE2 HIS A 90 9.645 -15.250 -1.617 1.00 0.00 N flip ATOM 0 H HIS A 90 11.322 -11.646 -0.342 1.00 0.00 H new ATOM 0 HA HIS A 90 14.204 -12.004 -0.753 1.00 0.00 H new ATOM 0 HB2 HIS A 90 13.504 -14.276 -1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.990 -13.905 0.145 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.467 -16.148 -0.957 1.00 0.00 H new ATOM 0 HE1 HIS A 90 8.333 -13.674 -2.219 1.00 0.00 H new ATOM 0 HE2 HIS A 90 9.032 -16.063 -1.685 1.00 0.00 H new ATOM 1350 N LYS A 91 12.184 -11.066 -3.030 1.00 0.00 N ATOM 1351 CA LYS A 91 12.056 -10.682 -4.431 1.00 0.00 C ATOM 1352 C LYS A 91 11.990 -9.165 -4.575 1.00 0.00 C ATOM 1353 O LYS A 91 11.335 -8.644 -5.478 1.00 0.00 O ATOM 1354 CB LYS A 91 10.810 -11.322 -5.047 1.00 0.00 C ATOM 1355 CG LYS A 91 11.027 -11.836 -6.461 1.00 0.00 C ATOM 1356 CD LYS A 91 10.180 -13.065 -6.742 1.00 0.00 C ATOM 1357 CE LYS A 91 10.581 -13.729 -8.049 1.00 0.00 C ATOM 1358 NZ LYS A 91 10.564 -15.214 -7.945 1.00 0.00 N ATOM 0 H LYS A 91 11.464 -10.681 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 91 12.938 -11.041 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.486 -12.148 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.002 -10.590 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.780 -11.051 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.080 -12.078 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.286 -13.777 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.128 -12.782 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.902 -13.413 -8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.579 -13.396 -8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.843 -15.629 -8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.231 -15.518 -7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.606 -15.534 -7.698 1.00 0.00 H new ATOM 1372 N SER A 92 12.675 -8.460 -3.678 1.00 0.00 N ATOM 1373 CA SER A 92 12.696 -7.001 -3.703 1.00 0.00 C ATOM 1374 C SER A 92 13.246 -6.487 -5.029 1.00 0.00 C ATOM 1375 O SER A 92 12.877 -5.362 -5.426 1.00 0.00 O ATOM 1376 CB SER A 92 13.541 -6.461 -2.547 1.00 0.00 C ATOM 1377 OG SER A 92 12.996 -5.258 -2.035 1.00 0.00 O ATOM 1378 OXT SER A 92 14.044 -7.214 -5.658 1.00 0.00 O ATOM 0 H SER A 92 13.223 -8.876 -2.925 1.00 0.00 H new ATOM 0 HA SER A 92 11.671 -6.648 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.595 -7.206 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.561 -6.285 -2.889 1.00 0.00 H new ATOM 0 HG SER A 92 12.559 -5.436 -1.176 1.00 0.00 H new TER 1384 SER A 92