USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 895 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 71 ASN : amide:sc= -7.5! C(o=-7.4!,f=-5.6!) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0.0666 USER MOD Set 2.1: A 37 SER OG : rot -108:sc= -0.413 USER MOD Set 2.2: A 38 LYS NZ :NH3+ 144:sc= -0.162 (180deg=-1.21!) USER MOD Single : A 1 GLU N :NH3+ -153:sc= 0.558 (180deg=-0.869!) USER MOD Single : A 2 GLN : amide:sc= -0.959 K(o=-0.96,f=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 24:sc= 0.335! USER MOD Single : A 10 TYR OH : rot 121:sc= 2.55 USER MOD Single : A 11 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-2.2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -163:sc= 1.25 USER MOD Single : A 17 GLN : amide:sc= -0.292 K(o=-0.29,f=-0.81) USER MOD Single : A 18 ASN : amide:sc= 1.05 K(o=1.1,f=-0.39) USER MOD Single : A 19 ASN : amide:sc= -1.51 K(o=-1.5,f=-9.9!) USER MOD Single : A 28 SER OG : rot 51:sc= 0.653 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0755 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -167:sc= 0.985 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.361) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.941 K(o=-0.94,f=-0.21) USER MOD Single : A 88 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 97 THR OG1 : rot -123:sc= 0.926! USER MOD Single : A 100 THR OG1 : rot 36:sc= 1.22 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 105 ASN : amide:sc= 0.359 K(o=0.36,f=-6.6!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0.999 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 111 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.36) USER MOD Single : A 113 HIS : no HD1:sc= -0.416 K(o=-0.42,f=-1.5!) USER MOD Single : A 115 ASN : amide:sc= -2.26! C(o=-2.3!,f=-8.8!) USER MOD Single : A 117 ASN : amide:sc= -7.37! C(o=-7.4!,f=-13!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -4.63! C(o=-4.6!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.612 16.228 -0.823 1.00 0.00 N ATOM 2 CA GLU A 1 5.062 16.455 -1.075 1.00 0.00 C ATOM 3 C GLU A 1 5.627 15.241 -1.849 1.00 0.00 C ATOM 4 O GLU A 1 4.868 14.487 -2.426 1.00 0.00 O ATOM 5 CB GLU A 1 5.707 16.632 0.307 1.00 0.00 C ATOM 6 CG GLU A 1 5.097 17.922 1.020 1.00 0.00 C ATOM 7 CD GLU A 1 5.068 17.838 2.560 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.419 16.789 3.076 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.679 18.854 3.108 1.00 0.00 O ATOM 0 H1 GLU A 1 3.127 17.144 -0.738 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.202 15.691 -1.614 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.493 15.690 0.059 1.00 0.00 H new ATOM 0 HA GLU A 1 5.264 17.336 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.529 15.748 0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 1 6.787 16.737 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.679 18.795 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.081 18.078 0.656 1.00 0.00 H new ATOM 18 N GLN A 2 6.916 15.073 -1.862 1.00 0.00 N ATOM 19 CA GLN A 2 7.525 13.913 -2.582 1.00 0.00 C ATOM 20 C GLN A 2 8.207 13.083 -1.483 1.00 0.00 C ATOM 21 O GLN A 2 8.759 13.641 -0.549 1.00 0.00 O ATOM 22 CB GLN A 2 8.559 14.436 -3.614 1.00 0.00 C ATOM 23 CG GLN A 2 7.861 15.346 -4.683 1.00 0.00 C ATOM 24 CD GLN A 2 8.836 15.765 -5.788 1.00 0.00 C ATOM 25 OE1 GLN A 2 8.703 16.791 -6.419 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.843 15.005 -6.071 1.00 0.00 N ATOM 0 H GLN A 2 7.584 15.692 -1.402 1.00 0.00 H new ATOM 0 HA GLN A 2 6.796 13.319 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.338 15.000 -3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.046 13.595 -4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.019 14.812 -5.123 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.456 16.234 -4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.984 14.134 -5.559 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.496 15.276 -6.806 1.00 0.00 H new ATOM 35 N ALA A 3 8.151 11.786 -1.627 1.00 0.00 N ATOM 36 CA ALA A 3 8.780 10.892 -0.619 1.00 0.00 C ATOM 37 C ALA A 3 9.859 10.097 -1.373 1.00 0.00 C ATOM 38 O ALA A 3 9.670 9.720 -2.519 1.00 0.00 O ATOM 39 CB ALA A 3 7.662 9.992 -0.044 1.00 0.00 C ATOM 0 H ALA A 3 7.694 11.308 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 3 9.246 11.414 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.084 9.319 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.897 10.614 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.215 9.408 -0.849 1.00 0.00 H new ATOM 45 N ASN A 4 10.952 9.876 -0.707 1.00 0.00 N ATOM 46 CA ASN A 4 12.097 9.119 -1.293 1.00 0.00 C ATOM 47 C ASN A 4 12.537 8.051 -0.282 1.00 0.00 C ATOM 48 O ASN A 4 12.045 8.012 0.823 1.00 0.00 O ATOM 49 CB ASN A 4 13.239 10.156 -1.625 1.00 0.00 C ATOM 50 CG ASN A 4 12.835 11.583 -1.236 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.030 12.052 -0.138 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.244 12.351 -2.095 1.00 0.00 N ATOM 0 H ASN A 4 11.108 10.197 0.249 1.00 0.00 H new ATOM 0 HA ASN A 4 11.830 8.604 -2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.150 9.878 -1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.467 10.119 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.970 13.297 -1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.053 12.010 -3.037 1.00 0.00 H new ATOM 59 N ASP A 5 13.457 7.224 -0.680 1.00 0.00 N ATOM 60 CA ASP A 5 14.017 6.107 0.143 1.00 0.00 C ATOM 61 C ASP A 5 13.044 5.476 1.178 1.00 0.00 C ATOM 62 O ASP A 5 13.299 5.434 2.367 1.00 0.00 O ATOM 63 CB ASP A 5 15.295 6.696 0.806 1.00 0.00 C ATOM 64 CG ASP A 5 16.230 7.129 -0.305 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.749 6.186 -0.880 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.345 8.328 -0.500 1.00 0.00 O ATOM 0 H ASP A 5 13.875 7.280 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 5 14.229 5.253 -0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.040 7.543 1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.774 5.951 1.441 1.00 0.00 H new ATOM 71 N VAL A 6 11.933 4.991 0.677 1.00 0.00 N ATOM 72 CA VAL A 6 10.920 4.355 1.596 1.00 0.00 C ATOM 73 C VAL A 6 10.739 2.856 1.299 1.00 0.00 C ATOM 74 O VAL A 6 10.244 2.473 0.255 1.00 0.00 O ATOM 75 CB VAL A 6 9.520 5.034 1.465 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.559 4.450 2.535 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.597 6.540 1.717 1.00 0.00 C ATOM 0 H VAL A 6 11.681 5.004 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 6 11.310 4.489 2.605 1.00 0.00 H new ATOM 0 HB VAL A 6 9.166 4.846 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.582 4.924 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.457 3.375 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.963 4.640 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.603 6.977 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.974 6.722 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.269 6.997 0.990 1.00 0.00 H new ATOM 87 N ARG A 7 11.169 2.081 2.260 1.00 0.00 N ATOM 88 CA ARG A 7 11.094 0.584 2.212 1.00 0.00 C ATOM 89 C ARG A 7 9.827 0.033 1.508 1.00 0.00 C ATOM 90 O ARG A 7 8.726 0.189 1.999 1.00 0.00 O ATOM 91 CB ARG A 7 11.182 0.071 3.690 1.00 0.00 C ATOM 92 CG ARG A 7 9.971 0.580 4.538 1.00 0.00 C ATOM 93 CD ARG A 7 10.102 0.106 5.975 1.00 0.00 C ATOM 94 NE ARG A 7 8.905 0.655 6.706 1.00 0.00 N ATOM 95 CZ ARG A 7 8.598 0.264 7.880 1.00 0.00 C ATOM 96 NH1 ARG A 7 9.127 0.849 8.882 1.00 0.00 N ATOM 97 NH2 ARG A 7 7.772 -0.696 7.926 1.00 0.00 N ATOM 0 H ARG A 7 11.589 2.440 3.117 1.00 0.00 H new ATOM 0 HA ARG A 7 11.922 0.217 1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.203 -1.019 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.114 0.412 4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.929 1.669 4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.038 0.213 4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.124 -0.983 6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.030 0.465 6.421 1.00 0.00 H new ATOM 0 HE ARG A 7 8.324 1.359 6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.784 1.616 8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.893 0.550 9.829 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.406 -1.096 7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.473 -1.069 8.827 1.00 0.00 H new ATOM 111 N ALA A 8 9.990 -0.589 0.378 1.00 0.00 N ATOM 112 CA ALA A 8 8.802 -1.146 -0.340 1.00 0.00 C ATOM 113 C ALA A 8 8.929 -2.646 -0.113 1.00 0.00 C ATOM 114 O ALA A 8 9.743 -3.318 -0.722 1.00 0.00 O ATOM 115 CB ALA A 8 8.882 -0.778 -1.836 1.00 0.00 C ATOM 0 H ALA A 8 10.888 -0.738 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 8 7.845 -0.760 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.016 -1.185 -2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.894 0.307 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.793 -1.196 -2.265 1.00 0.00 H new ATOM 121 N THR A 9 8.114 -3.085 0.807 1.00 0.00 N ATOM 122 CA THR A 9 8.078 -4.530 1.188 1.00 0.00 C ATOM 123 C THR A 9 6.739 -5.196 0.900 1.00 0.00 C ATOM 124 O THR A 9 5.713 -4.564 1.095 1.00 0.00 O ATOM 125 CB THR A 9 8.338 -4.696 2.706 1.00 0.00 C ATOM 126 OG1 THR A 9 7.236 -4.023 3.296 1.00 0.00 O ATOM 127 CG2 THR A 9 9.468 -3.833 3.224 1.00 0.00 C ATOM 0 H THR A 9 7.460 -2.495 1.321 1.00 0.00 H new ATOM 0 HA THR A 9 8.852 -5.005 0.585 1.00 0.00 H new ATOM 0 HB THR A 9 8.519 -5.751 2.910 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.491 -3.996 2.660 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.593 -4.001 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.391 -4.092 2.705 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.235 -2.783 3.047 1.00 0.00 H new ATOM 135 N TYR A 10 6.766 -6.430 0.480 1.00 0.00 N ATOM 136 CA TYR A 10 5.454 -7.109 0.201 1.00 0.00 C ATOM 137 C TYR A 10 5.183 -8.208 1.238 1.00 0.00 C ATOM 138 O TYR A 10 6.003 -8.511 2.084 1.00 0.00 O ATOM 139 CB TYR A 10 5.464 -7.755 -1.199 1.00 0.00 C ATOM 140 CG TYR A 10 6.485 -8.891 -1.327 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.186 -10.179 -0.909 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.726 -8.631 -1.881 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.116 -11.189 -1.049 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.646 -9.647 -2.019 1.00 0.00 C ATOM 145 CZ TYR A 10 8.345 -10.931 -1.602 1.00 0.00 C ATOM 146 OH TYR A 10 9.233 -11.975 -1.720 1.00 0.00 O ATOM 0 H TYR A 10 7.604 -6.988 0.320 1.00 0.00 H new ATOM 0 HA TYR A 10 4.673 -6.350 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.469 -8.141 -1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.684 -6.991 -1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.222 -10.393 -0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.973 -7.631 -2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.875 -12.189 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.611 -9.439 -2.457 1.00 0.00 H new ATOM 0 HH TYR A 10 9.480 -12.090 -2.661 1.00 0.00 H new ATOM 156 N HIS A 11 4.015 -8.777 1.136 1.00 0.00 N ATOM 157 CA HIS A 11 3.560 -9.876 2.048 1.00 0.00 C ATOM 158 C HIS A 11 2.739 -10.913 1.220 1.00 0.00 C ATOM 159 O HIS A 11 2.680 -10.806 0.014 1.00 0.00 O ATOM 160 CB HIS A 11 2.732 -9.218 3.177 1.00 0.00 C ATOM 161 CG HIS A 11 2.365 -10.315 4.166 1.00 0.00 C ATOM 162 ND1 HIS A 11 3.199 -10.928 4.937 1.00 0.00 N ATOM 163 CD2 HIS A 11 1.150 -10.902 4.442 1.00 0.00 C ATOM 164 CE1 HIS A 11 2.573 -11.823 5.635 1.00 0.00 C ATOM 165 NE2 HIS A 11 1.295 -11.836 5.355 1.00 0.00 N ATOM 0 H HIS A 11 3.326 -8.517 0.430 1.00 0.00 H new ATOM 0 HA HIS A 11 4.392 -10.418 2.497 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.308 -8.434 3.669 1.00 0.00 H new ATOM 0 HB3 HIS A 11 1.835 -8.749 2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.214 -10.634 3.976 1.00 0.00 H new ATOM 0 HE1 HIS A 11 3.046 -12.474 6.355 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.574 -12.436 5.755 1.00 0.00 H new ATOM 173 N TYR A 12 2.121 -11.873 1.854 1.00 0.00 N ATOM 174 CA TYR A 12 1.310 -12.915 1.125 1.00 0.00 C ATOM 175 C TYR A 12 -0.234 -12.765 1.372 1.00 0.00 C ATOM 176 O TYR A 12 -0.805 -13.432 2.212 1.00 0.00 O ATOM 177 CB TYR A 12 1.859 -14.302 1.600 1.00 0.00 C ATOM 178 CG TYR A 12 3.319 -14.546 1.131 1.00 0.00 C ATOM 179 CD1 TYR A 12 4.390 -13.840 1.656 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.584 -15.494 0.160 1.00 0.00 C ATOM 181 CE1 TYR A 12 5.687 -14.080 1.220 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.880 -15.731 -0.272 1.00 0.00 C ATOM 183 CZ TYR A 12 5.939 -15.029 0.251 1.00 0.00 C ATOM 184 OH TYR A 12 7.212 -15.298 -0.212 1.00 0.00 O ATOM 0 H TYR A 12 2.139 -11.988 2.867 1.00 0.00 H new ATOM 0 HA TYR A 12 1.418 -12.801 0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.815 -14.355 2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.218 -15.096 1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.214 -13.092 2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.769 -16.058 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.506 -13.518 1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.060 -16.478 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 12 7.171 -16.001 -0.893 1.00 0.00 H new ATOM 194 N TYR A 13 -0.861 -11.885 0.622 1.00 0.00 N ATOM 195 CA TYR A 13 -2.351 -11.635 0.760 1.00 0.00 C ATOM 196 C TYR A 13 -3.218 -12.198 -0.417 1.00 0.00 C ATOM 197 O TYR A 13 -4.138 -11.569 -0.898 1.00 0.00 O ATOM 198 CB TYR A 13 -2.522 -10.083 0.900 1.00 0.00 C ATOM 199 CG TYR A 13 -3.408 -9.699 2.103 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.105 -10.159 3.372 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.517 -8.881 1.939 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.890 -9.809 4.449 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.298 -8.537 3.028 1.00 0.00 C ATOM 204 CZ TYR A 13 -4.982 -9.005 4.284 1.00 0.00 C ATOM 205 OH TYR A 13 -5.742 -8.694 5.384 1.00 0.00 O ATOM 0 H TYR A 13 -0.404 -11.318 -0.092 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.721 -12.174 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.541 -9.620 1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.961 -9.684 -0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.247 -10.797 3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.772 -8.511 0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.639 -10.174 5.434 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.159 -7.899 2.893 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.614 -8.354 5.094 1.00 0.00 H new ATOM 215 N ARG A 14 -2.883 -13.393 -0.834 1.00 0.00 N ATOM 216 CA ARG A 14 -3.608 -14.106 -1.966 1.00 0.00 C ATOM 217 C ARG A 14 -4.324 -13.238 -3.061 1.00 0.00 C ATOM 218 O ARG A 14 -5.450 -13.532 -3.417 1.00 0.00 O ATOM 219 CB ARG A 14 -4.653 -15.023 -1.315 1.00 0.00 C ATOM 220 CG ARG A 14 -4.035 -16.201 -0.556 1.00 0.00 C ATOM 221 CD ARG A 14 -5.238 -16.941 0.037 1.00 0.00 C ATOM 222 NE ARG A 14 -4.734 -18.013 0.952 1.00 0.00 N ATOM 223 CZ ARG A 14 -5.408 -19.087 1.133 1.00 0.00 C ATOM 224 NH1 ARG A 14 -6.538 -18.962 1.698 1.00 0.00 N ATOM 225 NH2 ARG A 14 -4.940 -20.206 0.751 1.00 0.00 N ATOM 0 H ARG A 14 -2.115 -13.931 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.821 -14.611 -2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.263 -14.437 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.321 -15.407 -2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.460 -16.845 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.354 -15.859 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.878 -16.247 0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.844 -17.376 -0.758 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.845 -17.887 1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.867 -18.039 1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.117 -19.784 1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.026 -20.249 0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.478 -21.060 0.896 1.00 0.00 H new ATOM 239 N PRO A 15 -3.675 -12.222 -3.580 1.00 0.00 N ATOM 240 CA PRO A 15 -4.386 -11.040 -4.153 1.00 0.00 C ATOM 241 C PRO A 15 -5.190 -11.325 -5.447 1.00 0.00 C ATOM 242 O PRO A 15 -6.294 -11.828 -5.397 1.00 0.00 O ATOM 243 CB PRO A 15 -3.234 -10.041 -4.315 1.00 0.00 C ATOM 244 CG PRO A 15 -2.058 -10.979 -4.719 1.00 0.00 C ATOM 245 CD PRO A 15 -2.192 -12.109 -3.686 1.00 0.00 C ATOM 0 HA PRO A 15 -5.192 -10.671 -3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.444 -9.295 -5.081 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.028 -9.500 -3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.158 -11.345 -5.741 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.093 -10.477 -4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.731 -13.036 -4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.729 -11.854 -2.733 1.00 0.00 H new ATOM 253 N ALA A 16 -4.647 -11.007 -6.599 1.00 0.00 N ATOM 254 CA ALA A 16 -5.374 -11.257 -7.887 1.00 0.00 C ATOM 255 C ALA A 16 -5.867 -12.714 -7.978 1.00 0.00 C ATOM 256 O ALA A 16 -6.735 -13.029 -8.765 1.00 0.00 O ATOM 257 CB ALA A 16 -4.422 -10.867 -9.035 1.00 0.00 C ATOM 0 H ALA A 16 -3.726 -10.582 -6.703 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.277 -10.650 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.917 -11.036 -9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.156 -9.814 -8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.519 -11.475 -8.982 1.00 0.00 H new ATOM 263 N GLN A 17 -5.287 -13.574 -7.179 1.00 0.00 N ATOM 264 CA GLN A 17 -5.702 -15.017 -7.156 1.00 0.00 C ATOM 265 C GLN A 17 -7.227 -15.048 -6.873 1.00 0.00 C ATOM 266 O GLN A 17 -7.972 -15.831 -7.420 1.00 0.00 O ATOM 267 CB GLN A 17 -4.935 -15.738 -6.041 1.00 0.00 C ATOM 268 CG GLN A 17 -3.561 -16.250 -6.554 1.00 0.00 C ATOM 269 CD GLN A 17 -2.642 -15.122 -7.000 1.00 0.00 C ATOM 270 OE1 GLN A 17 -2.255 -14.269 -6.230 1.00 0.00 O ATOM 271 NE2 GLN A 17 -2.258 -15.059 -8.233 1.00 0.00 N ATOM 0 H GLN A 17 -4.534 -13.338 -6.533 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.484 -15.514 -8.101 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.784 -15.060 -5.201 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.525 -16.577 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.072 -16.820 -5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.721 -16.934 -7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.569 -15.764 -8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.644 -14.304 -8.538 1.00 0.00 H new ATOM 280 N ASN A 18 -7.628 -14.156 -6.004 1.00 0.00 N ATOM 281 CA ASN A 18 -9.059 -13.972 -5.565 1.00 0.00 C ATOM 282 C ASN A 18 -9.491 -12.744 -6.408 1.00 0.00 C ATOM 283 O ASN A 18 -10.252 -11.905 -5.974 1.00 0.00 O ATOM 284 CB ASN A 18 -9.046 -13.636 -4.043 1.00 0.00 C ATOM 285 CG ASN A 18 -10.418 -13.618 -3.411 1.00 0.00 C ATOM 286 OD1 ASN A 18 -10.718 -14.401 -2.542 1.00 0.00 O ATOM 287 ND2 ASN A 18 -11.318 -12.771 -3.766 1.00 0.00 N ATOM 0 H ASN A 18 -6.985 -13.506 -5.551 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.717 -14.830 -5.702 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.427 -14.368 -3.524 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.577 -12.663 -3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.234 -12.782 -3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.116 -12.088 -4.496 1.00 0.00 H new ATOM 294 N ASN A 19 -8.972 -12.682 -7.616 1.00 0.00 N ATOM 295 CA ASN A 19 -9.240 -11.566 -8.583 1.00 0.00 C ATOM 296 C ASN A 19 -9.251 -10.295 -7.692 1.00 0.00 C ATOM 297 O ASN A 19 -10.001 -9.366 -7.851 1.00 0.00 O ATOM 298 CB ASN A 19 -10.589 -11.857 -9.238 1.00 0.00 C ATOM 299 CG ASN A 19 -10.700 -10.975 -10.447 1.00 0.00 C ATOM 300 OD1 ASN A 19 -11.466 -10.046 -10.507 1.00 0.00 O ATOM 301 ND2 ASN A 19 -9.948 -11.207 -11.474 1.00 0.00 N ATOM 0 H ASN A 19 -8.344 -13.396 -7.985 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.515 -11.448 -9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.660 -12.907 -9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.404 -11.659 -8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.015 -10.612 -12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.288 -11.985 -11.458 1.00 0.00 H new ATOM 308 N TRP A 20 -8.351 -10.371 -6.745 1.00 0.00 N ATOM 309 CA TRP A 20 -8.060 -9.394 -5.674 1.00 0.00 C ATOM 310 C TRP A 20 -9.214 -8.535 -5.189 1.00 0.00 C ATOM 311 O TRP A 20 -9.050 -7.440 -4.683 1.00 0.00 O ATOM 312 CB TRP A 20 -6.837 -8.497 -6.104 1.00 0.00 C ATOM 313 CG TRP A 20 -6.823 -7.751 -7.440 1.00 0.00 C ATOM 314 CD1 TRP A 20 -7.891 -7.454 -8.210 1.00 0.00 C ATOM 315 CD2 TRP A 20 -5.710 -7.216 -8.006 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.382 -6.752 -9.206 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.070 -6.554 -9.160 1.00 0.00 C ATOM 318 CE3 TRP A 20 -4.374 -7.219 -7.625 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.110 -5.910 -9.902 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -3.437 -6.563 -8.397 1.00 0.00 C ATOM 321 CH2 TRP A 20 -3.802 -5.913 -9.528 1.00 0.00 C ATOM 0 H TRP A 20 -7.737 -11.183 -6.680 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.827 -10.004 -4.802 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -6.702 -7.749 -5.322 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -5.954 -9.136 -6.089 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -8.923 -7.727 -8.049 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -7.960 -6.385 -9.962 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.069 -7.734 -6.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.400 -5.389 -10.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.400 -6.568 -8.096 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.062 -5.402 -10.127 1.00 0.00 H new ATOM 332 N ASP A 21 -10.378 -9.107 -5.323 1.00 0.00 N ATOM 333 CA ASP A 21 -11.611 -8.399 -4.903 1.00 0.00 C ATOM 334 C ASP A 21 -11.477 -7.664 -3.537 1.00 0.00 C ATOM 335 O ASP A 21 -11.596 -8.248 -2.476 1.00 0.00 O ATOM 336 CB ASP A 21 -12.739 -9.472 -4.904 1.00 0.00 C ATOM 337 CG ASP A 21 -14.110 -8.816 -4.770 1.00 0.00 C ATOM 338 OD1 ASP A 21 -14.222 -7.973 -3.897 1.00 0.00 O ATOM 339 OD2 ASP A 21 -14.948 -9.210 -5.562 1.00 0.00 O ATOM 0 H ASP A 21 -10.525 -10.040 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.836 -7.588 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.696 -10.050 -5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.583 -10.171 -4.082 1.00 0.00 H new ATOM 344 N LEU A 22 -11.229 -6.374 -3.559 1.00 0.00 N ATOM 345 CA LEU A 22 -11.088 -5.570 -2.303 1.00 0.00 C ATOM 346 C LEU A 22 -12.330 -5.623 -1.377 1.00 0.00 C ATOM 347 O LEU A 22 -12.328 -4.951 -0.359 1.00 0.00 O ATOM 348 CB LEU A 22 -10.845 -4.101 -2.645 1.00 0.00 C ATOM 349 CG LEU A 22 -9.725 -3.843 -3.641 1.00 0.00 C ATOM 350 CD1 LEU A 22 -9.846 -2.370 -4.017 1.00 0.00 C ATOM 351 CD2 LEU A 22 -8.328 -4.103 -3.042 1.00 0.00 C ATOM 0 H LEU A 22 -11.116 -5.833 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.247 -6.016 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.768 -3.680 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.621 -3.563 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.821 -4.515 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.067 -2.113 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.824 -2.187 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.733 -1.756 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.566 -3.903 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.172 -3.447 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.257 -5.142 -2.721 1.00 0.00 H new ATOM 363 N GLY A 23 -13.316 -6.395 -1.772 1.00 0.00 N ATOM 364 CA GLY A 23 -14.590 -6.582 -1.007 1.00 0.00 C ATOM 365 C GLY A 23 -14.505 -7.909 -0.240 1.00 0.00 C ATOM 366 O GLY A 23 -15.318 -8.183 0.614 1.00 0.00 O ATOM 0 H GLY A 23 -13.284 -6.930 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.742 -5.753 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.442 -6.591 -1.686 1.00 0.00 H new ATOM 370 N ALA A 24 -13.521 -8.712 -0.559 1.00 0.00 N ATOM 371 CA ALA A 24 -13.318 -10.031 0.113 1.00 0.00 C ATOM 372 C ALA A 24 -13.122 -9.847 1.657 1.00 0.00 C ATOM 373 O ALA A 24 -12.427 -8.936 2.073 1.00 0.00 O ATOM 374 CB ALA A 24 -12.066 -10.688 -0.570 1.00 0.00 C ATOM 0 H ALA A 24 -12.830 -8.500 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.190 -10.676 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.871 -11.659 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.259 -10.818 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.198 -10.043 -0.435 1.00 0.00 H new ATOM 380 N PRO A 25 -13.723 -10.706 2.461 1.00 0.00 N ATOM 381 CA PRO A 25 -13.736 -10.590 3.955 1.00 0.00 C ATOM 382 C PRO A 25 -12.460 -10.032 4.626 1.00 0.00 C ATOM 383 O PRO A 25 -12.535 -9.249 5.552 1.00 0.00 O ATOM 384 CB PRO A 25 -14.065 -12.025 4.457 1.00 0.00 C ATOM 385 CG PRO A 25 -14.235 -12.888 3.177 1.00 0.00 C ATOM 386 CD PRO A 25 -14.472 -11.914 2.016 1.00 0.00 C ATOM 0 HA PRO A 25 -14.470 -9.836 4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.265 -12.413 5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.975 -12.031 5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.347 -13.494 2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.074 -13.576 3.283 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.091 -12.305 1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.532 -11.705 1.870 1.00 0.00 H new ATOM 394 N ALA A 26 -11.333 -10.456 4.132 1.00 0.00 N ATOM 395 CA ALA A 26 -10.017 -10.014 4.687 1.00 0.00 C ATOM 396 C ALA A 26 -9.373 -8.739 4.102 1.00 0.00 C ATOM 397 O ALA A 26 -8.266 -8.431 4.498 1.00 0.00 O ATOM 398 CB ALA A 26 -9.072 -11.242 4.528 1.00 0.00 C ATOM 0 H ALA A 26 -11.263 -11.106 3.349 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.191 -9.702 5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.084 -10.993 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.477 -12.087 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.993 -11.506 3.473 1.00 0.00 H new ATOM 404 N VAL A 27 -10.018 -8.032 3.212 1.00 0.00 N ATOM 405 CA VAL A 27 -9.367 -6.796 2.657 1.00 0.00 C ATOM 406 C VAL A 27 -10.096 -5.495 3.029 1.00 0.00 C ATOM 407 O VAL A 27 -9.604 -4.622 3.716 1.00 0.00 O ATOM 408 CB VAL A 27 -9.315 -6.903 1.115 1.00 0.00 C ATOM 409 CG1 VAL A 27 -8.346 -5.848 0.582 1.00 0.00 C ATOM 410 CG2 VAL A 27 -8.771 -8.295 0.672 1.00 0.00 C ATOM 0 H VAL A 27 -10.947 -8.245 2.848 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.371 -6.745 3.097 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.324 -6.761 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.300 -5.913 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.692 -4.856 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.354 -6.022 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.744 -8.345 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.765 -8.435 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.423 -9.079 1.056 1.00 0.00 H new ATOM 420 N SER A 28 -11.294 -5.489 2.520 1.00 0.00 N ATOM 421 CA SER A 28 -12.280 -4.377 2.658 1.00 0.00 C ATOM 422 C SER A 28 -11.638 -2.959 2.611 1.00 0.00 C ATOM 423 O SER A 28 -11.478 -2.292 3.623 1.00 0.00 O ATOM 424 CB SER A 28 -13.079 -4.551 4.001 1.00 0.00 C ATOM 425 OG SER A 28 -12.157 -4.457 5.092 1.00 0.00 O ATOM 0 H SER A 28 -11.655 -6.270 1.973 1.00 0.00 H new ATOM 0 HA SER A 28 -12.945 -4.442 1.797 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.848 -3.783 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.588 -5.515 4.017 1.00 0.00 H new ATOM 0 HG SER A 28 -11.619 -3.643 4.997 1.00 0.00 H new ATOM 431 N ALA A 29 -11.328 -2.594 1.390 1.00 0.00 N ATOM 432 CA ALA A 29 -10.689 -1.274 1.052 1.00 0.00 C ATOM 433 C ALA A 29 -11.621 -0.063 0.737 1.00 0.00 C ATOM 434 O ALA A 29 -12.676 -0.196 0.140 1.00 0.00 O ATOM 435 CB ALA A 29 -9.776 -1.509 -0.150 1.00 0.00 C ATOM 0 H ALA A 29 -11.499 -3.183 0.575 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.181 -0.969 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.292 -0.573 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.017 -2.247 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.367 -1.875 -0.990 1.00 0.00 H new ATOM 441 N TYR A 30 -11.177 1.107 1.142 1.00 0.00 N ATOM 442 CA TYR A 30 -11.959 2.381 0.918 1.00 0.00 C ATOM 443 C TYR A 30 -13.059 2.491 -0.133 1.00 0.00 C ATOM 444 O TYR A 30 -14.191 2.733 0.231 1.00 0.00 O ATOM 445 CB TYR A 30 -10.961 3.557 0.654 1.00 0.00 C ATOM 446 CG TYR A 30 -11.193 4.608 1.750 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.484 5.092 1.958 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.180 5.075 2.540 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.735 6.020 2.945 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.434 6.009 3.532 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.711 6.483 3.740 1.00 0.00 C ATOM 452 OH TYR A 30 -11.954 7.394 4.743 1.00 0.00 O ATOM 0 H TYR A 30 -10.290 1.240 1.628 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.528 2.406 1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.932 3.200 0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.128 3.988 -0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.295 4.736 1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.174 4.713 2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.740 6.386 3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.623 6.369 4.148 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.115 7.607 5.202 1.00 0.00 H new ATOM 462 N CYS A 31 -12.724 2.326 -1.377 1.00 0.00 N ATOM 463 CA CYS A 31 -13.781 2.435 -2.437 1.00 0.00 C ATOM 464 C CYS A 31 -14.150 1.081 -3.067 1.00 0.00 C ATOM 465 O CYS A 31 -14.728 1.028 -4.128 1.00 0.00 O ATOM 466 CB CYS A 31 -13.261 3.434 -3.511 1.00 0.00 C ATOM 467 SG CYS A 31 -13.225 5.186 -3.046 1.00 0.00 S ATOM 0 H CYS A 31 -11.782 2.123 -1.712 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.704 2.794 -1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.251 3.136 -3.792 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.883 3.331 -4.400 1.00 0.00 H new ATOM 472 N ALA A 32 -13.834 0.001 -2.399 1.00 0.00 N ATOM 473 CA ALA A 32 -14.159 -1.360 -2.946 1.00 0.00 C ATOM 474 C ALA A 32 -15.625 -1.502 -3.423 1.00 0.00 C ATOM 475 O ALA A 32 -15.889 -2.250 -4.338 1.00 0.00 O ATOM 476 CB ALA A 32 -13.856 -2.380 -1.853 1.00 0.00 C ATOM 0 H ALA A 32 -13.363 -0.001 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.548 -1.527 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.082 -3.382 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.802 -2.321 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.468 -2.167 -0.977 1.00 0.00 H new ATOM 482 N THR A 33 -16.490 -0.772 -2.772 1.00 0.00 N ATOM 483 CA THR A 33 -17.980 -0.716 -3.026 1.00 0.00 C ATOM 484 C THR A 33 -18.374 0.147 -4.238 1.00 0.00 C ATOM 485 O THR A 33 -19.484 0.075 -4.731 1.00 0.00 O ATOM 486 CB THR A 33 -18.647 -0.139 -1.767 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.301 -1.045 -0.736 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.168 -0.177 -1.751 1.00 0.00 C ATOM 0 H THR A 33 -16.205 -0.158 -2.009 1.00 0.00 H new ATOM 0 HA THR A 33 -18.313 -1.729 -3.251 1.00 0.00 H new ATOM 0 HB THR A 33 -18.326 0.900 -1.687 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.692 -0.742 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.533 0.254 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.555 0.397 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.507 -1.210 -1.830 1.00 0.00 H new ATOM 496 N TRP A 34 -17.432 0.938 -4.679 1.00 0.00 N ATOM 497 CA TRP A 34 -17.606 1.879 -5.839 1.00 0.00 C ATOM 498 C TRP A 34 -16.632 1.645 -7.021 1.00 0.00 C ATOM 499 O TRP A 34 -17.026 1.638 -8.177 1.00 0.00 O ATOM 500 CB TRP A 34 -17.473 3.287 -5.189 1.00 0.00 C ATOM 501 CG TRP A 34 -18.554 3.388 -4.100 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.875 3.113 -4.291 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.355 3.714 -2.808 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.386 3.287 -3.089 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.549 3.647 -2.131 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.198 4.070 -2.145 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.588 3.928 -0.788 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.228 4.358 -0.787 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.434 4.281 -0.117 1.00 0.00 C ATOM 0 H TRP A 34 -16.501 0.975 -4.264 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.567 1.731 -6.332 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.480 3.420 -4.759 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.605 4.070 -5.936 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.378 2.824 -5.202 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.380 3.150 -2.906 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.264 4.125 -2.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.525 3.873 -0.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.325 4.637 -0.264 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.474 4.499 0.940 1.00 0.00 H new ATOM 520 N ASP A 35 -15.385 1.442 -6.705 1.00 0.00 N ATOM 521 CA ASP A 35 -14.336 1.219 -7.732 1.00 0.00 C ATOM 522 C ASP A 35 -14.310 -0.188 -8.267 1.00 0.00 C ATOM 523 O ASP A 35 -14.330 -0.337 -9.473 1.00 0.00 O ATOM 524 CB ASP A 35 -12.970 1.509 -7.136 1.00 0.00 C ATOM 525 CG ASP A 35 -12.489 2.901 -7.460 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.200 3.764 -6.972 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.466 2.962 -8.143 1.00 0.00 O ATOM 0 H ASP A 35 -15.041 1.421 -5.745 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.574 1.891 -8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.014 1.385 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.250 0.782 -7.511 1.00 0.00 H new ATOM 532 N ALA A 36 -14.251 -1.156 -7.379 1.00 0.00 N ATOM 533 CA ALA A 36 -14.221 -2.596 -7.801 1.00 0.00 C ATOM 534 C ALA A 36 -14.998 -2.794 -9.106 1.00 0.00 C ATOM 535 O ALA A 36 -14.516 -3.431 -10.018 1.00 0.00 O ATOM 536 CB ALA A 36 -14.805 -3.393 -6.672 1.00 0.00 C ATOM 0 H ALA A 36 -14.222 -1.008 -6.370 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.203 -2.928 -8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.804 -4.451 -6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.208 -3.242 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.828 -3.066 -6.487 1.00 0.00 H new ATOM 542 N SER A 37 -16.176 -2.217 -9.100 1.00 0.00 N ATOM 543 CA SER A 37 -17.149 -2.230 -10.248 1.00 0.00 C ATOM 544 C SER A 37 -16.482 -2.065 -11.617 1.00 0.00 C ATOM 545 O SER A 37 -16.817 -2.747 -12.558 1.00 0.00 O ATOM 546 CB SER A 37 -18.178 -1.077 -10.078 1.00 0.00 C ATOM 547 OG SER A 37 -17.554 0.107 -10.558 1.00 0.00 O ATOM 0 H SER A 37 -16.526 -1.703 -8.291 1.00 0.00 H new ATOM 0 HA SER A 37 -17.628 -3.209 -10.223 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.090 -1.287 -10.637 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.464 -0.966 -9.032 1.00 0.00 H new ATOM 0 HG SER A 37 -17.339 0.693 -9.802 1.00 0.00 H new ATOM 553 N LYS A 38 -15.553 -1.147 -11.692 1.00 0.00 N ATOM 554 CA LYS A 38 -14.841 -0.892 -12.986 1.00 0.00 C ATOM 555 C LYS A 38 -14.211 -2.151 -13.580 1.00 0.00 C ATOM 556 O LYS A 38 -13.607 -2.920 -12.856 1.00 0.00 O ATOM 557 CB LYS A 38 -13.716 0.172 -12.789 1.00 0.00 C ATOM 558 CG LYS A 38 -14.249 1.601 -12.995 1.00 0.00 C ATOM 559 CD LYS A 38 -15.176 2.038 -11.828 1.00 0.00 C ATOM 560 CE LYS A 38 -16.127 3.115 -12.347 1.00 0.00 C ATOM 561 NZ LYS A 38 -17.062 2.417 -13.290 1.00 0.00 N ATOM 0 H LYS A 38 -15.254 -0.560 -10.913 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.601 -0.531 -13.680 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.298 0.080 -11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.905 -0.020 -13.492 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.412 2.294 -13.075 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.797 1.654 -13.936 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.739 1.184 -11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.585 2.422 -10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.674 3.581 -11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.579 3.908 -12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.011 2.834 -13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.717 2.526 -14.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.107 1.406 -13.050 1.00 0.00 H new ATOM 575 N PRO A 39 -14.347 -2.318 -14.882 1.00 0.00 N ATOM 576 CA PRO A 39 -14.055 -3.618 -15.564 1.00 0.00 C ATOM 577 C PRO A 39 -12.757 -4.283 -15.042 1.00 0.00 C ATOM 578 O PRO A 39 -11.744 -3.631 -14.838 1.00 0.00 O ATOM 579 CB PRO A 39 -14.036 -3.226 -17.076 1.00 0.00 C ATOM 580 CG PRO A 39 -13.844 -1.688 -17.038 1.00 0.00 C ATOM 581 CD PRO A 39 -14.749 -1.279 -15.877 1.00 0.00 C ATOM 0 HA PRO A 39 -14.793 -4.396 -15.367 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.225 -3.720 -17.610 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.964 -3.504 -17.576 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.805 -1.412 -16.861 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.144 -1.217 -17.974 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.552 -0.265 -15.528 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.808 -1.329 -16.132 1.00 0.00 H new ATOM 589 N LEU A 40 -12.774 -5.576 -14.847 1.00 0.00 N ATOM 590 CA LEU A 40 -11.522 -6.212 -14.330 1.00 0.00 C ATOM 591 C LEU A 40 -10.236 -5.918 -15.127 1.00 0.00 C ATOM 592 O LEU A 40 -9.157 -5.775 -14.576 1.00 0.00 O ATOM 593 CB LEU A 40 -11.760 -7.734 -14.252 1.00 0.00 C ATOM 594 CG LEU A 40 -11.736 -8.214 -12.780 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.529 -7.633 -11.971 1.00 0.00 C ATOM 596 CD2 LEU A 40 -13.058 -7.835 -12.099 1.00 0.00 C ATOM 0 H LEU A 40 -13.564 -6.199 -15.014 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.334 -5.766 -13.353 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.720 -7.981 -14.705 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.993 -8.257 -14.823 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.613 -9.297 -12.792 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.565 -8.004 -10.947 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.595 -7.945 -12.437 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.586 -6.544 -11.965 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.043 -8.172 -11.063 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.184 -6.753 -12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.887 -8.311 -12.623 1.00 0.00 H new ATOM 608 N SER A 41 -10.402 -5.844 -16.422 1.00 0.00 N ATOM 609 CA SER A 41 -9.257 -5.564 -17.356 1.00 0.00 C ATOM 610 C SER A 41 -8.505 -4.331 -16.824 1.00 0.00 C ATOM 611 O SER A 41 -7.321 -4.364 -16.549 1.00 0.00 O ATOM 612 CB SER A 41 -9.881 -5.356 -18.758 1.00 0.00 C ATOM 613 OG SER A 41 -10.405 -6.658 -19.037 1.00 0.00 O ATOM 0 H SER A 41 -11.301 -5.968 -16.887 1.00 0.00 H new ATOM 0 HA SER A 41 -8.528 -6.372 -17.422 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.660 -4.594 -18.750 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.139 -5.046 -19.495 1.00 0.00 H new ATOM 0 HG SER A 41 -10.837 -6.655 -19.917 1.00 0.00 H new ATOM 619 N TRP A 42 -9.249 -3.263 -16.678 1.00 0.00 N ATOM 620 CA TRP A 42 -8.652 -1.987 -16.159 1.00 0.00 C ATOM 621 C TRP A 42 -7.936 -2.297 -14.820 1.00 0.00 C ATOM 622 O TRP A 42 -6.773 -1.993 -14.616 1.00 0.00 O ATOM 623 CB TRP A 42 -9.804 -0.979 -15.968 1.00 0.00 C ATOM 624 CG TRP A 42 -9.260 0.399 -15.553 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.737 1.295 -16.433 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.213 0.929 -14.305 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.408 2.312 -15.664 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.654 2.187 -14.370 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.611 0.433 -13.076 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.499 2.940 -13.230 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.453 1.186 -11.929 1.00 0.00 C ATOM 632 CH2 TRP A 42 -8.897 2.444 -12.002 1.00 0.00 C ATOM 0 H TRP A 42 -10.245 -3.216 -16.895 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.921 -1.562 -16.847 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.371 -0.887 -16.895 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.493 -1.347 -15.208 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.620 1.196 -17.502 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.984 3.156 -16.048 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.049 -0.552 -13.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.063 3.926 -13.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.765 0.788 -10.975 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -8.773 3.038 -11.108 1.00 0.00 H new ATOM 643 N ARG A 43 -8.703 -2.915 -13.961 1.00 0.00 N ATOM 644 CA ARG A 43 -8.208 -3.312 -12.604 1.00 0.00 C ATOM 645 C ARG A 43 -6.775 -3.876 -12.613 1.00 0.00 C ATOM 646 O ARG A 43 -5.930 -3.420 -11.876 1.00 0.00 O ATOM 647 CB ARG A 43 -9.153 -4.379 -12.007 1.00 0.00 C ATOM 648 CG ARG A 43 -9.367 -4.015 -10.540 1.00 0.00 C ATOM 649 CD ARG A 43 -10.398 -2.881 -10.550 1.00 0.00 C ATOM 650 NE ARG A 43 -10.220 -2.105 -9.295 1.00 0.00 N ATOM 651 CZ ARG A 43 -10.787 -0.960 -9.160 1.00 0.00 C ATOM 652 NH1 ARG A 43 -11.997 -0.824 -9.458 1.00 0.00 N ATOM 653 NH2 ARG A 43 -10.134 0.043 -8.731 1.00 0.00 N ATOM 0 H ARG A 43 -9.674 -3.168 -14.145 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.195 -2.404 -12.001 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.102 -4.396 -12.542 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.718 -5.374 -12.098 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.730 -4.871 -9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.435 -3.695 -10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.255 -2.241 -11.420 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.409 -3.283 -10.612 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.647 -2.482 -8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.529 -1.621 -9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.449 0.084 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.148 -0.056 -8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.596 0.946 -8.628 1.00 0.00 H new ATOM 667 N SER A 44 -6.569 -4.868 -13.442 1.00 0.00 N ATOM 668 CA SER A 44 -5.216 -5.558 -13.597 1.00 0.00 C ATOM 669 C SER A 44 -4.228 -4.733 -14.465 1.00 0.00 C ATOM 670 O SER A 44 -3.027 -4.743 -14.240 1.00 0.00 O ATOM 671 CB SER A 44 -5.466 -6.926 -14.233 1.00 0.00 C ATOM 672 OG SER A 44 -5.949 -6.597 -15.533 1.00 0.00 O ATOM 0 H SER A 44 -7.297 -5.252 -14.045 1.00 0.00 H new ATOM 0 HA SER A 44 -4.752 -5.658 -12.616 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.554 -7.521 -14.281 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.195 -7.506 -13.667 1.00 0.00 H new ATOM 0 HG SER A 44 -6.140 -7.420 -16.029 1.00 0.00 H new ATOM 678 N LYS A 45 -4.785 -4.068 -15.450 1.00 0.00 N ATOM 679 CA LYS A 45 -4.013 -3.183 -16.407 1.00 0.00 C ATOM 680 C LYS A 45 -3.165 -2.251 -15.546 1.00 0.00 C ATOM 681 O LYS A 45 -1.970 -2.140 -15.737 1.00 0.00 O ATOM 682 CB LYS A 45 -5.009 -2.353 -17.269 1.00 0.00 C ATOM 683 CG LYS A 45 -4.239 -1.233 -18.041 1.00 0.00 C ATOM 684 CD LYS A 45 -5.280 -0.356 -18.822 1.00 0.00 C ATOM 685 CE LYS A 45 -4.720 1.025 -19.293 1.00 0.00 C ATOM 686 NZ LYS A 45 -3.600 0.814 -20.278 1.00 0.00 N ATOM 0 H LYS A 45 -5.786 -4.099 -15.644 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.390 -3.770 -17.081 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.524 -3.005 -17.975 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.772 -1.908 -16.631 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.671 -0.616 -17.345 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.522 -1.675 -18.733 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.628 -0.912 -19.693 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.148 -0.187 -18.185 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.515 1.612 -19.753 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.360 1.593 -18.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.232 1.736 -20.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.837 0.271 -19.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.957 0.289 -21.102 1.00 0.00 H new ATOM 700 N TYR A 46 -3.855 -1.623 -14.639 1.00 0.00 N ATOM 701 CA TYR A 46 -3.228 -0.668 -13.690 1.00 0.00 C ATOM 702 C TYR A 46 -2.988 -1.386 -12.371 1.00 0.00 C ATOM 703 O TYR A 46 -3.120 -2.586 -12.240 1.00 0.00 O ATOM 704 CB TYR A 46 -4.179 0.555 -13.475 1.00 0.00 C ATOM 705 CG TYR A 46 -3.528 1.897 -13.902 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.240 2.216 -13.478 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.199 2.822 -14.689 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.655 3.406 -13.826 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.597 4.024 -15.033 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.325 4.307 -14.600 1.00 0.00 C ATOM 711 OH TYR A 46 -1.701 5.484 -14.922 1.00 0.00 O ATOM 0 H TYR A 46 -4.861 -1.737 -14.513 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.280 -0.306 -14.088 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.096 0.402 -14.044 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.462 0.611 -12.424 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.693 1.514 -12.865 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.198 2.605 -15.037 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.656 3.632 -13.484 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.130 4.739 -15.643 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.357 6.111 -15.292 1.00 0.00 H new ATOM 721 N GLY A 47 -2.609 -0.601 -11.398 1.00 0.00 N ATOM 722 CA GLY A 47 -2.340 -1.161 -10.050 1.00 0.00 C ATOM 723 C GLY A 47 -3.583 -0.843 -9.242 1.00 0.00 C ATOM 724 O GLY A 47 -4.665 -1.214 -9.651 1.00 0.00 O ATOM 0 H GLY A 47 -2.475 0.407 -11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.163 -2.236 -10.096 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.453 -0.711 -9.605 1.00 0.00 H new ATOM 728 N TRP A 48 -3.348 -0.146 -8.153 1.00 0.00 N ATOM 729 CA TRP A 48 -4.394 0.300 -7.151 1.00 0.00 C ATOM 730 C TRP A 48 -3.832 0.140 -5.763 1.00 0.00 C ATOM 731 O TRP A 48 -4.157 -0.749 -5.025 1.00 0.00 O ATOM 732 CB TRP A 48 -5.660 -0.528 -7.321 1.00 0.00 C ATOM 733 CG TRP A 48 -5.371 -1.998 -7.026 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.159 -2.639 -6.918 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.341 -2.839 -6.785 1.00 0.00 C ATOM 736 NE1 TRP A 48 -4.524 -3.878 -6.598 1.00 0.00 N ATOM 737 CE2 TRP A 48 -5.829 -4.064 -6.498 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.692 -2.597 -6.799 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -6.706 -5.059 -6.211 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -8.578 -3.607 -6.513 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.071 -4.860 -6.212 1.00 0.00 C ATOM 0 H TRP A 48 -2.408 0.155 -7.897 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.651 1.346 -7.316 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.437 -0.161 -6.650 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.040 -0.421 -8.337 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.165 -2.239 -7.057 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -3.849 -4.627 -6.442 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.060 -1.609 -7.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.322 -6.040 -5.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.643 -3.428 -6.523 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.740 -5.676 -5.980 1.00 0.00 H new ATOM 752 N THR A 49 -2.978 1.051 -5.422 1.00 0.00 N ATOM 753 CA THR A 49 -2.287 1.085 -4.102 1.00 0.00 C ATOM 754 C THR A 49 -3.119 1.667 -2.953 1.00 0.00 C ATOM 755 O THR A 49 -4.240 2.123 -3.099 1.00 0.00 O ATOM 756 CB THR A 49 -0.991 1.904 -4.274 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.410 3.043 -5.014 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.023 1.204 -5.200 1.00 0.00 C ATOM 0 H THR A 49 -2.713 1.820 -6.038 1.00 0.00 H new ATOM 0 HA THR A 49 -2.094 0.052 -3.813 1.00 0.00 H new ATOM 0 HB THR A 49 -0.523 2.086 -3.307 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.642 3.631 -5.172 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.881 1.804 -5.302 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.234 0.228 -4.788 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.485 1.074 -6.179 1.00 0.00 H new ATOM 766 N ALA A 50 -2.519 1.626 -1.797 1.00 0.00 N ATOM 767 CA ALA A 50 -3.199 2.154 -0.576 1.00 0.00 C ATOM 768 C ALA A 50 -2.472 3.382 0.022 1.00 0.00 C ATOM 769 O ALA A 50 -1.565 3.959 -0.552 1.00 0.00 O ATOM 770 CB ALA A 50 -3.268 0.979 0.440 1.00 0.00 C ATOM 0 H ALA A 50 -1.584 1.249 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.197 2.512 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.759 1.316 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.835 0.156 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.259 0.641 0.674 1.00 0.00 H new ATOM 776 N PHE A 51 -2.913 3.791 1.185 1.00 0.00 N ATOM 777 CA PHE A 51 -2.254 4.960 1.848 1.00 0.00 C ATOM 778 C PHE A 51 -2.115 4.904 3.421 1.00 0.00 C ATOM 779 O PHE A 51 -3.067 4.997 4.174 1.00 0.00 O ATOM 780 CB PHE A 51 -3.024 6.258 1.394 1.00 0.00 C ATOM 781 CG PHE A 51 -4.201 6.605 2.302 1.00 0.00 C ATOM 782 CD1 PHE A 51 -5.455 6.061 2.126 1.00 0.00 C ATOM 783 CD2 PHE A 51 -3.986 7.487 3.343 1.00 0.00 C ATOM 784 CE1 PHE A 51 -6.478 6.402 2.986 1.00 0.00 C ATOM 785 CE2 PHE A 51 -5.000 7.827 4.197 1.00 0.00 C ATOM 786 CZ PHE A 51 -6.250 7.285 4.022 1.00 0.00 C ATOM 0 H PHE A 51 -3.689 3.374 1.699 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.214 4.951 1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.329 7.097 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.387 6.120 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.636 5.369 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.004 7.914 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.461 5.977 2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.818 8.519 5.006 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.053 7.549 4.694 1.00 0.00 H new ATOM 796 N CYS A 52 -0.894 4.718 3.857 1.00 0.00 N ATOM 797 CA CYS A 52 -0.548 4.659 5.325 1.00 0.00 C ATOM 798 C CYS A 52 0.539 5.722 5.701 1.00 0.00 C ATOM 799 O CYS A 52 0.772 6.012 6.859 1.00 0.00 O ATOM 800 CB CYS A 52 -0.096 3.211 5.609 1.00 0.00 C ATOM 801 SG CYS A 52 0.725 2.301 4.282 1.00 0.00 S ATOM 0 H CYS A 52 -0.091 4.600 3.240 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.407 4.909 5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.579 3.234 6.465 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.974 2.641 5.911 1.00 0.00 H new ATOM 806 N GLY A 53 1.161 6.269 4.682 1.00 0.00 N ATOM 807 CA GLY A 53 2.239 7.320 4.828 1.00 0.00 C ATOM 808 C GLY A 53 1.896 8.607 4.036 1.00 0.00 C ATOM 809 O GLY A 53 2.571 8.936 3.078 1.00 0.00 O ATOM 0 H GLY A 53 0.961 6.023 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.368 7.565 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.189 6.918 4.476 1.00 0.00 H new ATOM 813 N PRO A 54 0.865 9.317 4.431 1.00 0.00 N ATOM 814 CA PRO A 54 0.387 10.468 3.623 1.00 0.00 C ATOM 815 C PRO A 54 1.389 11.642 3.521 1.00 0.00 C ATOM 816 O PRO A 54 1.268 12.622 4.226 1.00 0.00 O ATOM 817 CB PRO A 54 -0.953 10.897 4.273 1.00 0.00 C ATOM 818 CG PRO A 54 -1.197 9.955 5.488 1.00 0.00 C ATOM 819 CD PRO A 54 0.069 9.089 5.671 1.00 0.00 C ATOM 0 HA PRO A 54 0.265 10.166 2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.909 11.937 4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.770 10.820 3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.397 10.536 6.388 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.070 9.325 5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.626 9.385 6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.185 8.036 5.790 1.00 0.00 H new ATOM 827 N ALA A 55 2.372 11.534 2.663 1.00 0.00 N ATOM 828 CA ALA A 55 3.364 12.659 2.513 1.00 0.00 C ATOM 829 C ALA A 55 2.711 13.757 1.607 1.00 0.00 C ATOM 830 O ALA A 55 3.193 14.150 0.558 1.00 0.00 O ATOM 831 CB ALA A 55 4.640 12.044 1.894 1.00 0.00 C ATOM 0 H ALA A 55 2.536 10.726 2.062 1.00 0.00 H new ATOM 0 HA ALA A 55 3.632 13.134 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.393 12.822 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.028 11.270 2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.400 11.607 0.925 1.00 0.00 H new ATOM 837 N GLY A 56 1.594 14.227 2.074 1.00 0.00 N ATOM 838 CA GLY A 56 0.806 15.277 1.353 1.00 0.00 C ATOM 839 C GLY A 56 -0.679 14.887 1.320 1.00 0.00 C ATOM 840 O GLY A 56 -1.060 13.809 1.740 1.00 0.00 O ATOM 0 H GLY A 56 1.176 13.922 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.927 16.240 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.183 15.393 0.337 1.00 0.00 H new ATOM 844 N PRO A 57 -1.483 15.782 0.798 1.00 0.00 N ATOM 845 CA PRO A 57 -2.944 15.785 1.061 1.00 0.00 C ATOM 846 C PRO A 57 -3.732 14.663 0.348 1.00 0.00 C ATOM 847 O PRO A 57 -4.047 14.737 -0.825 1.00 0.00 O ATOM 848 CB PRO A 57 -3.347 17.198 0.633 1.00 0.00 C ATOM 849 CG PRO A 57 -2.411 17.417 -0.598 1.00 0.00 C ATOM 850 CD PRO A 57 -1.053 16.877 -0.112 1.00 0.00 C ATOM 0 HA PRO A 57 -3.183 15.564 2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.402 17.262 0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.172 17.932 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.768 16.877 -1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.350 18.470 -0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.438 16.511 -0.934 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.470 17.638 0.407 1.00 0.00 H new ATOM 858 N ARG A 58 -4.030 13.631 1.085 1.00 0.00 N ATOM 859 CA ARG A 58 -4.802 12.470 0.532 1.00 0.00 C ATOM 860 C ARG A 58 -5.589 11.712 1.638 1.00 0.00 C ATOM 861 O ARG A 58 -5.283 11.802 2.809 1.00 0.00 O ATOM 862 CB ARG A 58 -3.720 11.626 -0.226 1.00 0.00 C ATOM 863 CG ARG A 58 -3.731 10.083 0.032 1.00 0.00 C ATOM 864 CD ARG A 58 -2.710 9.479 -0.948 1.00 0.00 C ATOM 865 NE ARG A 58 -1.343 9.899 -0.488 1.00 0.00 N ATOM 866 CZ ARG A 58 -0.309 9.170 -0.705 1.00 0.00 C ATOM 867 NH1 ARG A 58 -0.043 8.238 0.116 1.00 0.00 N ATOM 868 NH2 ARG A 58 0.435 9.385 -1.714 1.00 0.00 N ATOM 0 H ARG A 58 -3.769 13.536 2.066 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.601 12.758 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.844 11.794 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.737 12.010 0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.461 9.859 1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.725 9.667 -0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.792 8.392 -0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.898 9.830 -1.963 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.234 10.784 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.645 8.083 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.773 7.644 -0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.212 10.143 -2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.254 8.800 -1.877 1.00 0.00 H new ATOM 882 N GLY A 59 -6.591 10.976 1.241 1.00 0.00 N ATOM 883 CA GLY A 59 -7.449 10.177 2.193 1.00 0.00 C ATOM 884 C GLY A 59 -8.801 9.863 1.557 1.00 0.00 C ATOM 885 O GLY A 59 -9.008 8.754 1.110 1.00 0.00 O ATOM 0 H GLY A 59 -6.867 10.886 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.941 9.250 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.596 10.736 3.117 1.00 0.00 H new ATOM 889 N GLN A 60 -9.680 10.835 1.523 1.00 0.00 N ATOM 890 CA GLN A 60 -11.031 10.591 0.901 1.00 0.00 C ATOM 891 C GLN A 60 -10.917 10.944 -0.604 1.00 0.00 C ATOM 892 O GLN A 60 -11.032 10.105 -1.475 1.00 0.00 O ATOM 893 CB GLN A 60 -12.121 11.494 1.585 1.00 0.00 C ATOM 894 CG GLN A 60 -12.019 11.471 3.146 1.00 0.00 C ATOM 895 CD GLN A 60 -13.309 12.017 3.779 1.00 0.00 C ATOM 896 OE1 GLN A 60 -14.336 11.381 3.767 1.00 0.00 O ATOM 897 NE2 GLN A 60 -13.335 13.179 4.343 1.00 0.00 N ATOM 0 H GLN A 60 -9.530 11.774 1.891 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.329 9.551 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.014 12.519 1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.112 11.155 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.842 10.452 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.167 12.069 3.469 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.490 13.749 4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.201 13.526 4.756 1.00 0.00 H new ATOM 906 N ALA A 61 -10.656 12.195 -0.884 1.00 0.00 N ATOM 907 CA ALA A 61 -10.526 12.648 -2.308 1.00 0.00 C ATOM 908 C ALA A 61 -9.176 12.231 -2.965 1.00 0.00 C ATOM 909 O ALA A 61 -8.555 12.931 -3.742 1.00 0.00 O ATOM 910 CB ALA A 61 -10.715 14.167 -2.280 1.00 0.00 C ATOM 0 H ALA A 61 -10.526 12.928 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.277 12.164 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.632 14.563 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.700 14.404 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.948 14.618 -1.650 1.00 0.00 H new ATOM 916 N ALA A 62 -8.783 11.047 -2.599 1.00 0.00 N ATOM 917 CA ALA A 62 -7.550 10.376 -3.070 1.00 0.00 C ATOM 918 C ALA A 62 -8.065 9.285 -4.002 1.00 0.00 C ATOM 919 O ALA A 62 -7.416 8.993 -4.978 1.00 0.00 O ATOM 920 CB ALA A 62 -6.815 9.759 -1.897 1.00 0.00 C ATOM 0 H ALA A 62 -9.314 10.478 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.853 11.057 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.909 9.268 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.548 10.539 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.458 9.026 -1.410 1.00 0.00 H new ATOM 926 N CYS A 63 -9.209 8.735 -3.662 1.00 0.00 N ATOM 927 CA CYS A 63 -9.859 7.651 -4.472 1.00 0.00 C ATOM 928 C CYS A 63 -9.925 8.204 -5.907 1.00 0.00 C ATOM 929 O CYS A 63 -10.838 8.914 -6.283 1.00 0.00 O ATOM 930 CB CYS A 63 -11.262 7.389 -3.865 1.00 0.00 C ATOM 931 SG CYS A 63 -12.362 6.148 -4.601 1.00 0.00 S ATOM 0 H CYS A 63 -9.735 9.002 -2.830 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.324 6.702 -4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.115 7.111 -2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.798 8.338 -3.870 1.00 0.00 H new ATOM 936 N GLY A 64 -8.914 7.866 -6.664 1.00 0.00 N ATOM 937 CA GLY A 64 -8.831 8.336 -8.085 1.00 0.00 C ATOM 938 C GLY A 64 -7.458 8.891 -8.502 1.00 0.00 C ATOM 939 O GLY A 64 -7.182 8.869 -9.684 1.00 0.00 O ATOM 0 H GLY A 64 -8.136 7.281 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.087 7.506 -8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.583 9.110 -8.241 1.00 0.00 H new ATOM 943 N LYS A 65 -6.623 9.357 -7.602 1.00 0.00 N ATOM 944 CA LYS A 65 -5.276 9.906 -8.031 1.00 0.00 C ATOM 945 C LYS A 65 -4.255 8.772 -8.073 1.00 0.00 C ATOM 946 O LYS A 65 -4.537 7.666 -7.653 1.00 0.00 O ATOM 947 CB LYS A 65 -4.720 10.992 -7.037 1.00 0.00 C ATOM 948 CG LYS A 65 -5.035 12.426 -7.539 1.00 0.00 C ATOM 949 CD LYS A 65 -6.491 12.803 -7.154 1.00 0.00 C ATOM 950 CE LYS A 65 -7.015 14.008 -7.963 1.00 0.00 C ATOM 951 NZ LYS A 65 -5.965 15.080 -7.985 1.00 0.00 N ATOM 0 H LYS A 65 -6.804 9.385 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.424 10.363 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.159 10.845 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.642 10.871 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.336 13.138 -7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.908 12.480 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.143 11.945 -7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.535 13.035 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.259 13.700 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.933 14.390 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.394 15.980 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.559 15.188 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.214 14.816 -8.654 1.00 0.00 H new ATOM 965 N CYS A 66 -3.086 9.053 -8.586 1.00 0.00 N ATOM 966 CA CYS A 66 -2.010 8.026 -8.679 1.00 0.00 C ATOM 967 C CYS A 66 -0.651 8.479 -8.041 1.00 0.00 C ATOM 968 O CYS A 66 -0.388 9.627 -7.742 1.00 0.00 O ATOM 969 CB CYS A 66 -1.920 7.702 -10.192 1.00 0.00 C ATOM 970 SG CYS A 66 -3.247 6.649 -10.850 1.00 0.00 S ATOM 0 H CYS A 66 -2.828 9.970 -8.951 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.244 7.137 -8.093 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.917 8.640 -10.747 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.964 7.214 -10.385 1.00 0.00 H new ATOM 975 N LEU A 67 0.188 7.507 -7.845 1.00 0.00 N ATOM 976 CA LEU A 67 1.561 7.684 -7.248 1.00 0.00 C ATOM 977 C LEU A 67 2.618 7.289 -8.288 1.00 0.00 C ATOM 978 O LEU A 67 2.549 6.201 -8.823 1.00 0.00 O ATOM 979 CB LEU A 67 1.761 6.760 -5.983 1.00 0.00 C ATOM 980 CG LEU A 67 1.580 7.472 -4.610 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.790 6.440 -3.464 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.610 8.579 -4.450 1.00 0.00 C ATOM 0 H LEU A 67 -0.025 6.539 -8.085 1.00 0.00 H new ATOM 0 HA LEU A 67 1.665 8.728 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.054 5.932 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.761 6.328 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 67 0.577 7.896 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.664 6.935 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.058 5.638 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.795 6.023 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.472 9.068 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.612 8.154 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.485 9.310 -5.249 1.00 0.00 H new ATOM 994 N ARG A 68 3.557 8.138 -8.573 1.00 0.00 N ATOM 995 CA ARG A 68 4.585 7.747 -9.576 1.00 0.00 C ATOM 996 C ARG A 68 5.659 7.069 -8.712 1.00 0.00 C ATOM 997 O ARG A 68 6.119 7.678 -7.759 1.00 0.00 O ATOM 998 CB ARG A 68 5.039 9.038 -10.248 1.00 0.00 C ATOM 999 CG ARG A 68 6.209 8.742 -11.169 1.00 0.00 C ATOM 1000 CD ARG A 68 6.534 9.994 -11.940 1.00 0.00 C ATOM 1001 NE ARG A 68 7.714 9.631 -12.778 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.463 10.509 -13.310 1.00 0.00 C ATOM 1003 NH1 ARG A 68 9.418 11.021 -12.648 1.00 0.00 N ATOM 1004 NH2 ARG A 68 8.204 10.827 -14.507 1.00 0.00 N ATOM 0 H ARG A 68 3.661 9.068 -8.167 1.00 0.00 H new ATOM 0 HA ARG A 68 4.277 7.075 -10.377 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.217 9.474 -10.815 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.331 9.770 -9.495 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.074 8.417 -10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.959 7.930 -11.852 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.692 10.308 -12.557 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.765 10.822 -11.270 1.00 0.00 H new ATOM 0 HE ARG A 68 7.927 8.645 -12.929 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.586 10.728 -11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.017 11.725 -13.079 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.426 10.384 -14.996 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.773 11.527 -14.983 1.00 0.00 H new ATOM 1018 N VAL A 69 6.019 5.855 -9.056 1.00 0.00 N ATOM 1019 CA VAL A 69 7.057 5.098 -8.269 1.00 0.00 C ATOM 1020 C VAL A 69 8.318 4.879 -9.119 1.00 0.00 C ATOM 1021 O VAL A 69 8.231 4.427 -10.250 1.00 0.00 O ATOM 1022 CB VAL A 69 6.495 3.719 -7.852 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.425 3.092 -6.789 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.068 3.807 -7.307 1.00 0.00 C ATOM 0 H VAL A 69 5.637 5.348 -9.855 1.00 0.00 H new ATOM 0 HA VAL A 69 7.311 5.682 -7.384 1.00 0.00 H new ATOM 0 HB VAL A 69 6.457 3.093 -8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.033 2.119 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.424 2.969 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.474 3.745 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.722 2.811 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.053 4.454 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.411 4.219 -8.073 1.00 0.00 H new ATOM 1034 N THR A 70 9.421 5.207 -8.502 1.00 0.00 N ATOM 1035 CA THR A 70 10.790 5.093 -9.120 1.00 0.00 C ATOM 1036 C THR A 70 11.785 4.253 -8.300 1.00 0.00 C ATOM 1037 O THR A 70 11.823 4.376 -7.092 1.00 0.00 O ATOM 1038 CB THR A 70 11.404 6.480 -9.261 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.490 7.256 -10.012 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.660 6.418 -10.155 1.00 0.00 C ATOM 0 H THR A 70 9.436 5.568 -7.548 1.00 0.00 H new ATOM 0 HA THR A 70 10.631 4.597 -10.078 1.00 0.00 H new ATOM 0 HB THR A 70 11.633 6.872 -8.270 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.846 8.162 -10.126 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.090 7.415 -10.248 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.393 5.747 -9.707 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.386 6.047 -11.143 1.00 0.00 H new ATOM 1048 N ASN A 71 12.563 3.446 -8.970 1.00 0.00 N ATOM 1049 CA ASN A 71 13.592 2.567 -8.318 1.00 0.00 C ATOM 1050 C ASN A 71 15.077 3.009 -8.614 1.00 0.00 C ATOM 1051 O ASN A 71 15.713 2.398 -9.454 1.00 0.00 O ATOM 1052 CB ASN A 71 13.244 1.177 -8.858 1.00 0.00 C ATOM 1053 CG ASN A 71 14.125 0.086 -8.271 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.337 0.141 -8.290 1.00 0.00 O ATOM 1055 ND2 ASN A 71 13.589 -0.953 -7.736 1.00 0.00 N ATOM 0 H ASN A 71 12.529 3.353 -9.985 1.00 0.00 H new ATOM 0 HA ASN A 71 13.559 2.614 -7.230 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.200 0.955 -8.635 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.346 1.177 -9.943 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.179 -1.689 -7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.573 -1.041 -7.698 1.00 0.00 H new ATOM 1062 N PRO A 72 15.620 4.017 -7.959 1.00 0.00 N ATOM 1063 CA PRO A 72 16.923 4.670 -8.357 1.00 0.00 C ATOM 1064 C PRO A 72 18.161 3.753 -8.536 1.00 0.00 C ATOM 1065 O PRO A 72 19.218 4.196 -8.944 1.00 0.00 O ATOM 1066 CB PRO A 72 17.140 5.735 -7.273 1.00 0.00 C ATOM 1067 CG PRO A 72 15.708 6.066 -6.815 1.00 0.00 C ATOM 1068 CD PRO A 72 15.053 4.668 -6.756 1.00 0.00 C ATOM 0 HA PRO A 72 16.832 5.061 -9.370 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.748 5.356 -6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.650 6.614 -7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.695 6.563 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.198 6.725 -7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.311 4.134 -5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.965 4.724 -6.796 1.00 0.00 H new ATOM 1076 N ALA A 73 17.987 2.499 -8.213 1.00 0.00 N ATOM 1077 CA ALA A 73 19.067 1.479 -8.319 1.00 0.00 C ATOM 1078 C ALA A 73 19.039 0.822 -9.717 1.00 0.00 C ATOM 1079 O ALA A 73 20.060 0.597 -10.327 1.00 0.00 O ATOM 1080 CB ALA A 73 18.817 0.467 -7.199 1.00 0.00 C ATOM 0 H ALA A 73 17.103 2.128 -7.866 1.00 0.00 H new ATOM 0 HA ALA A 73 20.058 1.918 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.584 -0.307 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.853 0.975 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.836 0.011 -7.333 1.00 0.00 H new ATOM 1086 N THR A 74 17.845 0.539 -10.164 1.00 0.00 N ATOM 1087 CA THR A 74 17.649 -0.107 -11.512 1.00 0.00 C ATOM 1088 C THR A 74 17.343 1.001 -12.523 1.00 0.00 C ATOM 1089 O THR A 74 17.697 0.912 -13.683 1.00 0.00 O ATOM 1090 CB THR A 74 16.479 -1.115 -11.407 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.368 -0.308 -11.062 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.645 -2.020 -10.169 1.00 0.00 C ATOM 0 H THR A 74 16.982 0.727 -9.653 1.00 0.00 H new ATOM 0 HA THR A 74 18.539 -0.647 -11.837 1.00 0.00 H new ATOM 0 HB THR A 74 16.406 -1.707 -12.319 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.570 -0.870 -10.974 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.811 -2.720 -10.116 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.580 -2.575 -10.246 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.661 -1.406 -9.269 1.00 0.00 H new ATOM 1100 N GLY A 75 16.687 2.031 -12.041 1.00 0.00 N ATOM 1101 CA GLY A 75 16.309 3.211 -12.899 1.00 0.00 C ATOM 1102 C GLY A 75 14.891 3.075 -13.433 1.00 0.00 C ATOM 1103 O GLY A 75 14.418 3.940 -14.140 1.00 0.00 O ATOM 0 H GLY A 75 16.390 2.109 -11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.394 4.129 -12.317 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.007 3.296 -13.732 1.00 0.00 H new ATOM 1107 N ALA A 76 14.270 1.997 -13.052 1.00 0.00 N ATOM 1108 CA ALA A 76 12.882 1.716 -13.511 1.00 0.00 C ATOM 1109 C ALA A 76 11.821 2.528 -12.793 1.00 0.00 C ATOM 1110 O ALA A 76 12.027 2.991 -11.686 1.00 0.00 O ATOM 1111 CB ALA A 76 12.659 0.246 -13.303 1.00 0.00 C ATOM 0 H ALA A 76 14.669 1.290 -12.435 1.00 0.00 H new ATOM 0 HA ALA A 76 12.786 2.006 -14.557 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.651 -0.018 -13.624 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.386 -0.318 -13.887 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.778 0.006 -12.246 1.00 0.00 H new ATOM 1117 N GLN A 77 10.706 2.680 -13.455 1.00 0.00 N ATOM 1118 CA GLN A 77 9.556 3.449 -12.885 1.00 0.00 C ATOM 1119 C GLN A 77 8.178 3.051 -13.481 1.00 0.00 C ATOM 1120 O GLN A 77 8.050 2.664 -14.628 1.00 0.00 O ATOM 1121 CB GLN A 77 9.855 4.951 -13.099 1.00 0.00 C ATOM 1122 CG GLN A 77 10.227 5.271 -14.557 1.00 0.00 C ATOM 1123 CD GLN A 77 10.570 6.750 -14.620 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.840 7.602 -14.153 1.00 0.00 O ATOM 1125 NE2 GLN A 77 11.681 7.090 -15.184 1.00 0.00 N ATOM 0 H GLN A 77 10.538 2.297 -14.385 1.00 0.00 H new ATOM 0 HA GLN A 77 9.468 3.213 -11.825 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.982 5.537 -12.812 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.672 5.254 -12.443 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.074 4.666 -14.879 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.397 5.040 -15.225 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.294 6.375 -15.576 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.946 8.074 -15.237 1.00 0.00 H new ATOM 1134 N ILE A 78 7.195 3.169 -12.629 1.00 0.00 N ATOM 1135 CA ILE A 78 5.752 2.854 -12.921 1.00 0.00 C ATOM 1136 C ILE A 78 4.758 3.901 -12.313 1.00 0.00 C ATOM 1137 O ILE A 78 5.160 4.764 -11.552 1.00 0.00 O ATOM 1138 CB ILE A 78 5.544 1.450 -12.335 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.331 0.723 -12.952 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.409 1.488 -10.797 1.00 0.00 C ATOM 1141 CD1 ILE A 78 4.834 -0.178 -14.099 1.00 0.00 C ATOM 0 H ILE A 78 7.342 3.494 -11.673 1.00 0.00 H new ATOM 0 HA ILE A 78 5.543 2.895 -13.990 1.00 0.00 H new ATOM 0 HB ILE A 78 6.438 0.883 -12.595 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.822 0.125 -12.196 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.607 1.446 -13.327 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.263 0.476 -10.419 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.315 1.910 -10.363 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.553 2.105 -10.522 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.990 -0.701 -14.548 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.325 0.435 -14.855 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.544 -0.906 -13.706 1.00 0.00 H new ATOM 1153 N THR A 79 3.495 3.807 -12.657 1.00 0.00 N ATOM 1154 CA THR A 79 2.461 4.765 -12.097 1.00 0.00 C ATOM 1155 C THR A 79 1.530 3.848 -11.307 1.00 0.00 C ATOM 1156 O THR A 79 0.977 2.935 -11.880 1.00 0.00 O ATOM 1157 CB THR A 79 1.610 5.470 -13.200 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.439 6.483 -13.745 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.454 6.295 -12.613 1.00 0.00 C ATOM 0 H THR A 79 3.125 3.109 -13.303 1.00 0.00 H new ATOM 0 HA THR A 79 2.943 5.560 -11.528 1.00 0.00 H new ATOM 0 HB THR A 79 1.246 4.699 -13.879 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.952 6.960 -14.449 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.106 6.764 -13.422 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.208 5.641 -12.045 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.855 7.066 -11.955 1.00 0.00 H new ATOM 1167 N ALA A 80 1.352 4.069 -10.045 1.00 0.00 N ATOM 1168 CA ALA A 80 0.454 3.196 -9.228 1.00 0.00 C ATOM 1169 C ALA A 80 -0.851 3.970 -8.931 1.00 0.00 C ATOM 1170 O ALA A 80 -0.820 5.171 -8.823 1.00 0.00 O ATOM 1171 CB ALA A 80 1.262 2.856 -7.983 1.00 0.00 C ATOM 0 H ALA A 80 1.794 4.828 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 80 0.147 2.275 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.670 2.215 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.175 2.335 -8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.520 3.774 -7.455 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.944 3.280 -8.788 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.273 3.903 -8.511 1.00 0.00 C ATOM 1179 C ARG A 81 -3.668 4.106 -7.034 1.00 0.00 C ATOM 1180 O ARG A 81 -3.838 3.113 -6.392 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.271 2.990 -9.259 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.475 3.490 -10.713 1.00 0.00 C ATOM 1183 CD ARG A 81 -5.970 3.384 -11.081 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.730 4.133 -10.011 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.605 5.389 -9.870 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -5.651 5.649 -9.118 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -7.337 6.264 -10.411 1.00 0.00 N ATOM 0 H ARG A 81 -1.974 2.263 -8.854 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.259 4.938 -8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.900 1.965 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.226 2.978 -8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.138 4.522 -10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.875 2.895 -11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.159 3.815 -12.064 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.286 2.342 -11.124 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.356 3.620 -9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.099 4.892 -8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.420 6.619 -8.904 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.105 5.981 -11.020 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.161 7.254 -10.239 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.857 5.273 -6.482 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.232 5.399 -5.011 1.00 0.00 C ATOM 1203 C ILE A 82 -5.721 5.107 -4.678 1.00 0.00 C ATOM 1204 O ILE A 82 -6.596 5.749 -5.232 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.916 6.851 -4.536 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.431 7.204 -4.875 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.243 7.020 -3.010 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.062 8.629 -4.381 1.00 0.00 C ATOM 0 H ILE A 82 -3.771 6.161 -6.976 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.645 4.639 -4.496 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.553 7.557 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.767 6.474 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.276 7.139 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.015 8.040 -2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.300 6.816 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.641 6.321 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.023 8.844 -4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.710 9.361 -4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.193 8.685 -3.300 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.977 4.152 -3.807 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.410 3.850 -3.448 1.00 0.00 C ATOM 1222 C VAL A 83 -7.669 3.183 -2.051 1.00 0.00 C ATOM 1223 O VAL A 83 -8.635 3.485 -1.370 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.965 2.983 -4.629 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.395 1.551 -4.581 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.501 2.934 -4.581 1.00 0.00 C ATOM 0 H VAL A 83 -5.275 3.580 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.935 4.797 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.650 3.449 -5.563 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.797 0.971 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.308 1.589 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.676 1.079 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.872 2.328 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.822 2.494 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.900 3.945 -4.665 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.802 2.294 -1.638 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.990 1.596 -0.311 1.00 0.00 C ATOM 1238 C ASP A 84 -6.167 2.169 0.882 1.00 0.00 C ATOM 1239 O ASP A 84 -5.503 3.179 0.797 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.659 0.117 -0.681 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.624 -0.900 0.461 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.429 -0.771 1.362 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -5.777 -1.766 0.345 1.00 0.00 O ATOM 0 H ASP A 84 -5.969 2.015 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.992 1.733 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.394 -0.221 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.688 0.102 -1.176 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.228 1.531 2.012 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.492 1.932 3.242 1.00 0.00 C ATOM 1250 C GLN A 85 -4.762 0.672 3.769 1.00 0.00 C ATOM 1251 O GLN A 85 -5.375 -0.350 4.022 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.497 2.449 4.243 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.702 2.823 5.522 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.393 3.931 6.271 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -7.338 3.753 7.003 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.924 5.120 6.094 1.00 0.00 N ATOM 0 H GLN A 85 -6.796 0.693 2.140 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.761 2.718 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.025 3.317 3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.249 1.691 4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.604 1.948 6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.693 3.134 5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.126 5.267 5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.351 5.913 6.573 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.468 0.802 3.937 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.599 -0.309 4.425 1.00 0.00 C ATOM 1267 C CYS A 86 -2.419 -0.484 5.947 1.00 0.00 C ATOM 1268 O CYS A 86 -1.420 -0.990 6.411 1.00 0.00 O ATOM 1269 CB CYS A 86 -1.257 -0.064 3.657 1.00 0.00 C ATOM 1270 SG CYS A 86 -0.833 1.640 3.174 1.00 0.00 S ATOM 0 H CYS A 86 -2.963 1.668 3.748 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.076 -1.267 4.219 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.446 -0.445 4.277 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.277 -0.670 2.751 1.00 0.00 H new ATOM 1275 N ALA A 87 -3.419 -0.077 6.670 1.00 0.00 N ATOM 1276 CA ALA A 87 -3.441 -0.162 8.173 1.00 0.00 C ATOM 1277 C ALA A 87 -2.738 -1.400 8.770 1.00 0.00 C ATOM 1278 O ALA A 87 -2.015 -1.310 9.739 1.00 0.00 O ATOM 1279 CB ALA A 87 -4.915 -0.140 8.642 1.00 0.00 C ATOM 0 H ALA A 87 -4.265 0.331 6.271 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.874 0.696 8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.952 -0.201 9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.387 0.786 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.446 -0.990 8.213 1.00 0.00 H new ATOM 1285 N ASN A 88 -3.001 -2.520 8.155 1.00 0.00 N ATOM 1286 CA ASN A 88 -2.412 -3.822 8.601 1.00 0.00 C ATOM 1287 C ASN A 88 -1.554 -4.546 7.526 1.00 0.00 C ATOM 1288 O ASN A 88 -1.570 -5.760 7.473 1.00 0.00 O ATOM 1289 CB ASN A 88 -3.641 -4.683 9.083 1.00 0.00 C ATOM 1290 CG ASN A 88 -4.777 -4.635 8.053 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -4.714 -5.142 6.959 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -5.881 -4.023 8.318 1.00 0.00 N ATOM 0 H ASN A 88 -3.614 -2.592 7.343 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.688 -3.656 9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.329 -5.716 9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.998 -4.310 10.043 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.627 -3.992 7.623 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.008 -3.570 9.223 1.00 0.00 H new ATOM 1299 N GLY A 89 -0.826 -3.819 6.699 1.00 0.00 N ATOM 1300 CA GLY A 89 0.021 -4.511 5.640 1.00 0.00 C ATOM 1301 C GLY A 89 1.481 -4.056 5.387 1.00 0.00 C ATOM 1302 O GLY A 89 2.413 -4.424 6.074 1.00 0.00 O ATOM 0 H GLY A 89 -0.776 -2.800 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.052 -5.571 5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.512 -4.425 4.693 1.00 0.00 H new ATOM 1306 N GLY A 90 1.624 -3.254 4.364 1.00 0.00 N ATOM 1307 CA GLY A 90 2.960 -2.695 3.939 1.00 0.00 C ATOM 1308 C GLY A 90 2.778 -1.319 3.282 1.00 0.00 C ATOM 1309 O GLY A 90 1.823 -0.638 3.586 1.00 0.00 O ATOM 0 H GLY A 90 0.846 -2.948 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.617 -2.608 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.442 -3.378 3.240 1.00 0.00 H new ATOM 1313 N LEU A 91 3.684 -0.947 2.410 1.00 0.00 N ATOM 1314 CA LEU A 91 3.581 0.385 1.719 1.00 0.00 C ATOM 1315 C LEU A 91 2.229 0.443 1.023 1.00 0.00 C ATOM 1316 O LEU A 91 1.391 1.249 1.365 1.00 0.00 O ATOM 1317 CB LEU A 91 4.771 0.532 0.693 1.00 0.00 C ATOM 1318 CG LEU A 91 5.137 2.035 0.389 1.00 0.00 C ATOM 1319 CD1 LEU A 91 6.491 2.053 -0.341 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.113 2.695 -0.566 1.00 0.00 C ATOM 0 H LEU A 91 4.494 -1.507 2.144 1.00 0.00 H new ATOM 0 HA LEU A 91 3.653 1.210 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.650 0.022 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.505 0.033 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 91 5.151 2.577 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.770 3.083 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.253 1.600 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.411 1.489 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.402 3.730 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.093 2.151 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.123 2.670 -0.111 1.00 0.00 H new ATOM 1332 N ASP A 92 2.077 -0.417 0.066 1.00 0.00 N ATOM 1333 CA ASP A 92 0.829 -0.540 -0.746 1.00 0.00 C ATOM 1334 C ASP A 92 0.498 -2.018 -1.127 1.00 0.00 C ATOM 1335 O ASP A 92 1.007 -2.952 -0.536 1.00 0.00 O ATOM 1336 CB ASP A 92 1.048 0.370 -1.979 1.00 0.00 C ATOM 1337 CG ASP A 92 2.332 0.037 -2.760 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.970 -0.967 -2.482 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.582 0.862 -3.627 1.00 0.00 O ATOM 0 H ASP A 92 2.804 -1.079 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.046 -0.224 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.191 0.279 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.089 1.409 -1.653 1.00 0.00 H new ATOM 1344 N LEU A 93 -0.337 -2.242 -2.123 1.00 0.00 N ATOM 1345 CA LEU A 93 -0.688 -3.651 -2.520 1.00 0.00 C ATOM 1346 C LEU A 93 0.454 -4.037 -3.499 1.00 0.00 C ATOM 1347 O LEU A 93 0.242 -4.298 -4.658 1.00 0.00 O ATOM 1348 CB LEU A 93 -2.111 -3.683 -3.258 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.351 -3.227 -2.418 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -3.320 -1.729 -2.122 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.657 -3.430 -3.241 1.00 0.00 C ATOM 0 H LEU A 93 -0.788 -1.513 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.771 -4.334 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.049 -3.050 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.291 -4.700 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.323 -3.816 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.198 -1.455 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.419 -1.488 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.320 -1.173 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.514 -3.110 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.607 -2.838 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.766 -4.484 -3.497 1.00 0.00 H new ATOM 1363 N ASP A 94 1.637 -4.044 -2.964 1.00 0.00 N ATOM 1364 CA ASP A 94 2.884 -4.368 -3.682 1.00 0.00 C ATOM 1365 C ASP A 94 2.883 -5.804 -4.136 1.00 0.00 C ATOM 1366 O ASP A 94 2.017 -6.585 -3.783 1.00 0.00 O ATOM 1367 CB ASP A 94 4.068 -4.080 -2.716 1.00 0.00 C ATOM 1368 CG ASP A 94 5.421 -4.296 -3.375 1.00 0.00 C ATOM 1369 OD1 ASP A 94 5.537 -3.782 -4.471 1.00 0.00 O ATOM 1370 OD2 ASP A 94 6.262 -4.951 -2.794 1.00 0.00 O ATOM 0 H ASP A 94 1.792 -3.819 -1.981 1.00 0.00 H new ATOM 0 HA ASP A 94 2.978 -3.757 -4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.001 -3.052 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.986 -4.726 -1.842 1.00 0.00 H new ATOM 1375 N TRP A 95 3.882 -6.068 -4.919 1.00 0.00 N ATOM 1376 CA TRP A 95 4.137 -7.411 -5.522 1.00 0.00 C ATOM 1377 C TRP A 95 3.567 -7.457 -6.933 1.00 0.00 C ATOM 1378 O TRP A 95 4.324 -7.570 -7.871 1.00 0.00 O ATOM 1379 CB TRP A 95 3.460 -8.558 -4.711 1.00 0.00 C ATOM 1380 CG TRP A 95 4.185 -9.938 -4.990 1.00 0.00 C ATOM 1381 CD1 TRP A 95 5.350 -10.390 -4.381 1.00 0.00 C ATOM 1382 CD2 TRP A 95 3.808 -10.889 -5.888 1.00 0.00 C ATOM 1383 NE1 TRP A 95 5.576 -11.563 -4.961 1.00 0.00 N ATOM 1384 CE2 TRP A 95 4.706 -11.938 -5.874 1.00 0.00 C ATOM 1385 CE3 TRP A 95 2.733 -10.941 -6.751 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 4.543 -13.018 -6.703 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 2.564 -12.026 -7.585 1.00 0.00 C ATOM 1388 CH2 TRP A 95 3.468 -13.065 -7.563 1.00 0.00 C ATOM 0 H TRP A 95 4.576 -5.369 -5.184 1.00 0.00 H new ATOM 0 HA TRP A 95 5.217 -7.558 -5.519 1.00 0.00 H new ATOM 0 HB2 TRP A 95 3.498 -8.330 -3.646 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.407 -8.632 -4.984 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.934 -9.902 -3.615 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.379 -12.141 -4.713 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.021 -10.129 -6.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.255 -13.829 -6.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.720 -12.061 -8.258 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.334 -13.913 -8.218 1.00 0.00 H new ATOM 1399 N ASP A 96 2.266 -7.310 -7.049 1.00 0.00 N ATOM 1400 CA ASP A 96 1.689 -7.391 -8.466 1.00 0.00 C ATOM 1401 C ASP A 96 1.562 -6.037 -9.129 1.00 0.00 C ATOM 1402 O ASP A 96 1.549 -5.872 -10.326 1.00 0.00 O ATOM 1403 CB ASP A 96 0.269 -8.095 -8.425 1.00 0.00 C ATOM 1404 CG ASP A 96 -0.338 -8.225 -9.842 1.00 0.00 C ATOM 1405 OD1 ASP A 96 0.365 -8.620 -10.757 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -1.510 -7.924 -9.942 1.00 0.00 O ATOM 0 H ASP A 96 1.603 -7.148 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 96 2.390 -7.976 -9.061 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.364 -9.084 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.405 -7.520 -7.790 1.00 0.00 H new ATOM 1411 N THR A 97 1.446 -5.074 -8.289 1.00 0.00 N ATOM 1412 CA THR A 97 1.307 -3.668 -8.749 1.00 0.00 C ATOM 1413 C THR A 97 2.671 -2.984 -8.898 1.00 0.00 C ATOM 1414 O THR A 97 2.998 -2.580 -9.993 1.00 0.00 O ATOM 1415 CB THR A 97 0.408 -3.001 -7.729 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.219 -2.802 -6.589 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.686 -4.059 -7.206 1.00 0.00 C ATOM 0 H THR A 97 1.440 -5.193 -7.276 1.00 0.00 H new ATOM 0 HA THR A 97 0.869 -3.601 -9.745 1.00 0.00 H new ATOM 0 HB THR A 97 -0.047 -2.108 -8.157 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.810 -3.243 -5.815 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.334 -3.580 -6.472 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.286 -4.407 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.180 -4.907 -6.745 1.00 0.00 H new ATOM 1425 N VAL A 98 3.418 -2.806 -7.838 1.00 0.00 N ATOM 1426 CA VAL A 98 4.746 -2.150 -7.966 1.00 0.00 C ATOM 1427 C VAL A 98 5.925 -3.094 -8.231 1.00 0.00 C ATOM 1428 O VAL A 98 6.411 -3.230 -9.340 1.00 0.00 O ATOM 1429 CB VAL A 98 4.964 -1.313 -6.676 1.00 0.00 C ATOM 1430 CG1 VAL A 98 6.344 -0.623 -6.694 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.888 -0.210 -6.644 1.00 0.00 C ATOM 0 H VAL A 98 3.162 -3.088 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 98 4.727 -1.527 -8.860 1.00 0.00 H new ATOM 0 HB VAL A 98 4.905 -1.971 -5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.473 -0.043 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 98 7.128 -1.378 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.408 0.040 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.015 0.396 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.988 0.422 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.899 -0.667 -6.636 1.00 0.00 H new ATOM 1441 N PHE A 99 6.360 -3.755 -7.200 1.00 0.00 N ATOM 1442 CA PHE A 99 7.534 -4.713 -7.271 1.00 0.00 C ATOM 1443 C PHE A 99 7.993 -5.384 -8.593 1.00 0.00 C ATOM 1444 O PHE A 99 9.018 -5.008 -9.144 1.00 0.00 O ATOM 1445 CB PHE A 99 7.280 -5.825 -6.180 1.00 0.00 C ATOM 1446 CG PHE A 99 8.611 -5.997 -5.409 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.967 -5.029 -4.496 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.468 -7.056 -5.619 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.157 -5.104 -3.805 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.664 -7.136 -4.933 1.00 0.00 C ATOM 1451 CZ PHE A 99 11.008 -6.163 -4.027 1.00 0.00 C ATOM 0 H PHE A 99 5.946 -3.679 -6.271 1.00 0.00 H new ATOM 0 HA PHE A 99 8.381 -4.043 -7.120 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.476 -5.530 -5.505 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.977 -6.763 -6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.302 -4.197 -4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.202 -7.829 -6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.421 -4.336 -3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.331 -7.967 -5.110 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.943 -6.228 -3.490 1.00 0.00 H new ATOM 1461 N THR A 100 7.265 -6.363 -9.109 1.00 0.00 N ATOM 1462 CA THR A 100 7.738 -7.036 -10.392 1.00 0.00 C ATOM 1463 C THR A 100 7.169 -6.316 -11.625 1.00 0.00 C ATOM 1464 O THR A 100 7.089 -6.861 -12.709 1.00 0.00 O ATOM 1465 CB THR A 100 7.303 -8.601 -10.409 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.465 -9.007 -11.473 1.00 0.00 O ATOM 1467 CG2 THR A 100 6.213 -8.854 -9.402 1.00 0.00 C ATOM 0 H THR A 100 6.393 -6.719 -8.718 1.00 0.00 H new ATOM 0 HA THR A 100 8.826 -6.975 -10.425 1.00 0.00 H new ATOM 0 HB THR A 100 8.282 -9.075 -10.341 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.715 -8.524 -12.289 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.933 -9.907 -9.426 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.571 -8.596 -8.405 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.344 -8.242 -9.645 1.00 0.00 H new ATOM 1475 N LYS A 101 6.767 -5.096 -11.427 1.00 0.00 N ATOM 1476 CA LYS A 101 6.190 -4.264 -12.522 1.00 0.00 C ATOM 1477 C LYS A 101 7.152 -3.161 -12.924 1.00 0.00 C ATOM 1478 O LYS A 101 7.043 -2.550 -13.971 1.00 0.00 O ATOM 1479 CB LYS A 101 4.892 -3.638 -12.046 1.00 0.00 C ATOM 1480 CG LYS A 101 3.768 -4.723 -11.911 1.00 0.00 C ATOM 1481 CD LYS A 101 2.810 -4.685 -13.170 1.00 0.00 C ATOM 1482 CE LYS A 101 1.567 -5.579 -12.958 1.00 0.00 C ATOM 1483 NZ LYS A 101 0.758 -5.653 -14.215 1.00 0.00 N ATOM 0 H LYS A 101 6.815 -4.624 -10.524 1.00 0.00 H new ATOM 0 HA LYS A 101 6.008 -4.905 -13.385 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.050 -3.149 -11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.576 -2.866 -12.748 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.217 -5.712 -11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.192 -4.548 -11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.494 -3.659 -13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.354 -5.019 -14.054 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.878 -6.580 -12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.957 -5.179 -12.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.074 -6.257 -14.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.446 -4.698 -14.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.338 -6.056 -14.978 1.00 0.00 H new ATOM 1497 N ILE A 102 8.097 -2.904 -12.072 1.00 0.00 N ATOM 1498 CA ILE A 102 9.060 -1.835 -12.436 1.00 0.00 C ATOM 1499 C ILE A 102 10.150 -2.375 -13.384 1.00 0.00 C ATOM 1500 O ILE A 102 10.184 -1.910 -14.502 1.00 0.00 O ATOM 1501 CB ILE A 102 9.594 -1.252 -11.070 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.079 -2.280 -9.999 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.367 -0.495 -10.460 1.00 0.00 C ATOM 1504 CD1 ILE A 102 11.018 -1.580 -9.037 1.00 0.00 C ATOM 0 H ILE A 102 8.244 -3.365 -11.174 1.00 0.00 H new ATOM 0 HA ILE A 102 8.603 -1.027 -13.008 1.00 0.00 H new ATOM 0 HB ILE A 102 10.479 -0.659 -11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.227 -2.693 -9.460 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.587 -3.115 -10.481 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.649 -0.056 -9.503 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.050 0.294 -11.142 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.546 -1.195 -10.309 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.363 -2.289 -8.284 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.874 -1.188 -9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.493 -0.759 -8.548 1.00 0.00 H new ATOM 1516 N ASP A 103 11.007 -3.281 -13.020 1.00 0.00 N ATOM 1517 CA ASP A 103 12.029 -3.742 -14.045 1.00 0.00 C ATOM 1518 C ASP A 103 12.674 -5.091 -13.731 1.00 0.00 C ATOM 1519 O ASP A 103 12.353 -6.123 -14.289 1.00 0.00 O ATOM 1520 CB ASP A 103 13.047 -2.603 -14.146 1.00 0.00 C ATOM 1521 CG ASP A 103 14.223 -2.904 -15.046 1.00 0.00 C ATOM 1522 OD1 ASP A 103 14.069 -2.782 -16.246 1.00 0.00 O ATOM 1523 OD2 ASP A 103 15.225 -3.248 -14.455 1.00 0.00 O ATOM 0 H ASP A 103 11.061 -3.719 -12.100 1.00 0.00 H new ATOM 0 HA ASP A 103 11.543 -3.935 -15.001 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.541 -1.710 -14.513 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.417 -2.372 -13.147 1.00 0.00 H new ATOM 1528 N THR A 104 13.593 -4.995 -12.808 1.00 0.00 N ATOM 1529 CA THR A 104 14.341 -6.193 -12.344 1.00 0.00 C ATOM 1530 C THR A 104 13.416 -6.895 -11.351 1.00 0.00 C ATOM 1531 O THR A 104 12.208 -6.798 -11.409 1.00 0.00 O ATOM 1532 CB THR A 104 15.698 -5.802 -11.605 1.00 0.00 C ATOM 1533 OG1 THR A 104 15.372 -5.289 -10.321 1.00 0.00 O ATOM 1534 CG2 THR A 104 16.420 -4.627 -12.220 1.00 0.00 C ATOM 0 H THR A 104 13.859 -4.123 -12.351 1.00 0.00 H new ATOM 0 HA THR A 104 14.613 -6.820 -13.193 1.00 0.00 H new ATOM 0 HB THR A 104 16.307 -6.705 -11.638 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.195 -5.044 -9.848 1.00 0.00 H new ATOM 0 HG21 THR A 104 17.332 -4.426 -11.658 1.00 0.00 H new ATOM 0 HG22 THR A 104 16.674 -4.857 -13.255 1.00 0.00 H new ATOM 0 HG23 THR A 104 15.776 -3.748 -12.191 1.00 0.00 H new ATOM 1542 N ASN A 105 14.006 -7.596 -10.447 1.00 0.00 N ATOM 1543 CA ASN A 105 13.226 -8.328 -9.424 1.00 0.00 C ATOM 1544 C ASN A 105 13.449 -7.744 -8.028 1.00 0.00 C ATOM 1545 O ASN A 105 12.760 -8.152 -7.116 1.00 0.00 O ATOM 1546 CB ASN A 105 13.650 -9.827 -9.559 1.00 0.00 C ATOM 1547 CG ASN A 105 15.165 -10.037 -9.574 1.00 0.00 C ATOM 1548 OD1 ASN A 105 15.948 -9.152 -9.841 1.00 0.00 O ATOM 1549 ND2 ASN A 105 15.649 -11.203 -9.307 1.00 0.00 N ATOM 0 H ASN A 105 15.018 -7.698 -10.367 1.00 0.00 H new ATOM 0 HA ASN A 105 12.151 -8.234 -9.578 1.00 0.00 H new ATOM 0 HB2 ASN A 105 13.222 -10.393 -8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 105 13.226 -10.234 -10.477 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.658 -11.353 -9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.023 -11.975 -9.077 1.00 0.00 H new ATOM 1556 N GLY A 106 14.367 -6.817 -7.863 1.00 0.00 N ATOM 1557 CA GLY A 106 14.579 -6.252 -6.481 1.00 0.00 C ATOM 1558 C GLY A 106 15.172 -7.243 -5.481 1.00 0.00 C ATOM 1559 O GLY A 106 14.494 -7.611 -4.548 1.00 0.00 O ATOM 0 H GLY A 106 14.963 -6.435 -8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.238 -5.387 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.624 -5.894 -6.097 1.00 0.00 H new ATOM 1563 N ILE A 107 16.405 -7.628 -5.693 1.00 0.00 N ATOM 1564 CA ILE A 107 17.197 -8.597 -4.857 1.00 0.00 C ATOM 1565 C ILE A 107 16.586 -8.896 -3.462 1.00 0.00 C ATOM 1566 O ILE A 107 16.422 -10.037 -3.073 1.00 0.00 O ATOM 1567 CB ILE A 107 18.678 -8.011 -4.785 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.425 -8.169 -6.155 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.557 -8.801 -3.774 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.796 -7.448 -7.366 1.00 0.00 C ATOM 0 H ILE A 107 16.943 -7.277 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 107 17.186 -9.582 -5.324 1.00 0.00 H new ATOM 0 HB ILE A 107 18.558 -6.966 -4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 107 20.445 -7.805 -6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.492 -9.232 -6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 107 20.559 -8.373 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 107 19.114 -8.739 -2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.615 -9.845 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 107 19.402 -7.632 -8.254 1.00 0.00 H new ATOM 0 HD12 ILE A 107 17.787 -7.826 -7.531 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.755 -6.377 -7.170 1.00 0.00 H new ATOM 1582 N GLY A 108 16.245 -7.865 -2.738 1.00 0.00 N ATOM 1583 CA GLY A 108 15.636 -8.021 -1.364 1.00 0.00 C ATOM 1584 C GLY A 108 14.399 -8.954 -1.297 1.00 0.00 C ATOM 1585 O GLY A 108 13.843 -9.150 -0.230 1.00 0.00 O ATOM 0 H GLY A 108 16.361 -6.897 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.399 -8.405 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.349 -7.036 -0.996 1.00 0.00 H new ATOM 1589 N TYR A 109 13.995 -9.491 -2.428 1.00 0.00 N ATOM 1590 CA TYR A 109 12.824 -10.416 -2.546 1.00 0.00 C ATOM 1591 C TYR A 109 12.853 -11.527 -1.467 1.00 0.00 C ATOM 1592 O TYR A 109 11.821 -11.772 -0.882 1.00 0.00 O ATOM 1593 CB TYR A 109 12.831 -11.028 -3.988 1.00 0.00 C ATOM 1594 CG TYR A 109 11.451 -11.712 -4.222 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.351 -10.925 -4.520 1.00 0.00 C ATOM 1596 CD2 TYR A 109 11.254 -13.082 -4.117 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.099 -11.483 -4.703 1.00 0.00 C ATOM 1598 CE2 TYR A 109 9.989 -13.638 -4.302 1.00 0.00 C ATOM 1599 CZ TYR A 109 8.906 -12.834 -4.596 1.00 0.00 C ATOM 1600 OH TYR A 109 7.633 -13.342 -4.784 1.00 0.00 O ATOM 0 H TYR A 109 14.458 -9.312 -3.319 1.00 0.00 H new ATOM 0 HA TYR A 109 11.904 -9.856 -2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 109 13.003 -10.250 -4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.639 -11.752 -4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.473 -9.856 -4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.091 -13.725 -3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.260 -10.843 -4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.855 -14.706 -4.215 1.00 0.00 H new ATOM 0 HH TYR A 109 7.651 -14.316 -4.678 1.00 0.00 H new ATOM 1610 N GLN A 110 14.000 -12.139 -1.257 1.00 0.00 N ATOM 1611 CA GLN A 110 14.192 -13.242 -0.235 1.00 0.00 C ATOM 1612 C GLN A 110 13.319 -13.079 1.039 1.00 0.00 C ATOM 1613 O GLN A 110 12.660 -13.993 1.496 1.00 0.00 O ATOM 1614 CB GLN A 110 15.696 -13.292 0.185 1.00 0.00 C ATOM 1615 CG GLN A 110 16.656 -13.519 -1.036 1.00 0.00 C ATOM 1616 CD GLN A 110 18.079 -13.893 -0.569 1.00 0.00 C ATOM 1617 OE1 GLN A 110 18.377 -14.005 0.599 1.00 0.00 O ATOM 1618 NE2 GLN A 110 19.022 -14.105 -1.430 1.00 0.00 N ATOM 0 H GLN A 110 14.850 -11.912 -1.773 1.00 0.00 H new ATOM 0 HA GLN A 110 13.875 -14.168 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.962 -12.359 0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 110 15.841 -14.093 0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.259 -14.311 -1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.696 -12.614 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.829 -14.025 -2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.958 -14.352 -1.110 1.00 0.00 H new ATOM 1627 N GLN A 111 13.369 -11.884 1.563 1.00 0.00 N ATOM 1628 CA GLN A 111 12.591 -11.535 2.794 1.00 0.00 C ATOM 1629 C GLN A 111 11.397 -10.692 2.340 1.00 0.00 C ATOM 1630 O GLN A 111 10.325 -10.791 2.896 1.00 0.00 O ATOM 1631 CB GLN A 111 13.511 -10.745 3.769 1.00 0.00 C ATOM 1632 CG GLN A 111 14.606 -11.695 4.369 1.00 0.00 C ATOM 1633 CD GLN A 111 13.985 -12.882 5.125 1.00 0.00 C ATOM 1634 OE1 GLN A 111 13.468 -12.767 6.212 1.00 0.00 O ATOM 1635 NE2 GLN A 111 14.006 -14.053 4.584 1.00 0.00 N ATOM 0 H GLN A 111 13.926 -11.118 1.184 1.00 0.00 H new ATOM 0 HA GLN A 111 12.236 -12.420 3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 111 13.986 -9.917 3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.915 -10.312 4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.242 -12.069 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.246 -11.129 5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 111 14.435 -14.184 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 111 13.594 -14.848 5.073 1.00 0.00 H new ATOM 1644 N GLY A 112 11.624 -9.872 1.342 1.00 0.00 N ATOM 1645 CA GLY A 112 10.557 -8.989 0.776 1.00 0.00 C ATOM 1646 C GLY A 112 10.782 -7.487 0.938 1.00 0.00 C ATOM 1647 O GLY A 112 9.787 -6.819 1.122 1.00 0.00 O ATOM 0 H GLY A 112 12.530 -9.776 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.455 -9.209 -0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.609 -9.248 1.248 1.00 0.00 H new ATOM 1651 N HIS A 113 12.002 -6.980 0.869 1.00 0.00 N ATOM 1652 CA HIS A 113 12.224 -5.483 1.027 1.00 0.00 C ATOM 1653 C HIS A 113 13.166 -4.874 -0.014 1.00 0.00 C ATOM 1654 O HIS A 113 14.216 -5.397 -0.310 1.00 0.00 O ATOM 1655 CB HIS A 113 12.870 -5.082 2.438 1.00 0.00 C ATOM 1656 CG HIS A 113 14.245 -4.344 2.387 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.470 -3.143 1.957 1.00 0.00 N ATOM 1658 CD2 HIS A 113 15.481 -4.789 2.779 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.745 -2.882 2.085 1.00 0.00 C ATOM 1660 NE2 HIS A 113 16.410 -3.885 2.593 1.00 0.00 N ATOM 0 H HIS A 113 12.848 -7.527 0.712 1.00 0.00 H new ATOM 0 HA HIS A 113 11.212 -5.094 0.915 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.161 -4.448 2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 113 12.991 -5.990 3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 113 15.667 -5.769 3.192 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.197 -1.943 1.802 1.00 0.00 H new ATOM 0 HE2 HIS A 113 17.408 -3.948 2.795 1.00 0.00 H new ATOM 1668 N LEU A 114 12.788 -3.760 -0.562 1.00 0.00 N ATOM 1669 CA LEU A 114 13.649 -3.066 -1.568 1.00 0.00 C ATOM 1670 C LEU A 114 13.522 -1.559 -1.296 1.00 0.00 C ATOM 1671 O LEU A 114 12.623 -1.145 -0.583 1.00 0.00 O ATOM 1672 CB LEU A 114 13.147 -3.425 -2.969 1.00 0.00 C ATOM 1673 CG LEU A 114 14.019 -2.777 -4.080 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.484 -3.275 -4.021 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.422 -3.220 -5.399 1.00 0.00 C ATOM 0 H LEU A 114 11.907 -3.289 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 114 14.695 -3.365 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.151 -4.508 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.114 -3.096 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 114 14.029 -1.694 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.062 -2.799 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.916 -3.020 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.506 -4.357 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.997 -2.793 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.450 -4.308 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.389 -2.879 -5.464 1.00 0.00 H new ATOM 1687 N ASN A 115 14.403 -0.766 -1.849 1.00 0.00 N ATOM 1688 CA ASN A 115 14.316 0.716 -1.627 1.00 0.00 C ATOM 1689 C ASN A 115 13.903 1.430 -2.942 1.00 0.00 C ATOM 1690 O ASN A 115 14.591 1.344 -3.942 1.00 0.00 O ATOM 1691 CB ASN A 115 15.691 1.267 -1.170 1.00 0.00 C ATOM 1692 CG ASN A 115 15.630 2.809 -1.042 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.075 3.491 -1.872 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.167 3.448 -0.052 1.00 0.00 N ATOM 0 H ASN A 115 15.175 -1.073 -2.441 1.00 0.00 H new ATOM 0 HA ASN A 115 13.569 0.905 -0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.969 0.825 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.462 0.984 -1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.106 4.465 -0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.651 2.934 0.684 1.00 0.00 H new ATOM 1701 N VAL A 116 12.784 2.104 -2.892 1.00 0.00 N ATOM 1702 CA VAL A 116 12.237 2.868 -4.071 1.00 0.00 C ATOM 1703 C VAL A 116 11.779 4.303 -3.608 1.00 0.00 C ATOM 1704 O VAL A 116 11.784 4.617 -2.429 1.00 0.00 O ATOM 1705 CB VAL A 116 11.023 2.080 -4.682 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.408 0.619 -5.085 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.906 2.014 -3.643 1.00 0.00 C ATOM 0 H VAL A 116 12.202 2.162 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 116 13.011 2.976 -4.830 1.00 0.00 H new ATOM 0 HB VAL A 116 10.705 2.607 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.536 0.115 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.203 0.645 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.753 0.078 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.057 1.469 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.268 1.501 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.595 3.025 -3.379 1.00 0.00 H new ATOM 1717 N ASN A 117 11.390 5.138 -4.537 1.00 0.00 N ATOM 1718 CA ASN A 117 10.929 6.538 -4.225 1.00 0.00 C ATOM 1719 C ASN A 117 9.551 6.779 -4.881 1.00 0.00 C ATOM 1720 O ASN A 117 9.219 6.094 -5.833 1.00 0.00 O ATOM 1721 CB ASN A 117 12.021 7.476 -4.772 1.00 0.00 C ATOM 1722 CG ASN A 117 13.330 7.069 -4.147 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.907 7.735 -3.325 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.827 5.943 -4.534 1.00 0.00 N ATOM 0 H ASN A 117 11.370 4.906 -5.530 1.00 0.00 H new ATOM 0 HA ASN A 117 10.796 6.716 -3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.077 7.405 -5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.789 8.514 -4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.710 5.615 -4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.336 5.381 -5.230 1.00 0.00 H new ATOM 1731 N TYR A 118 8.788 7.732 -4.390 1.00 0.00 N ATOM 1732 CA TYR A 118 7.448 7.972 -5.012 1.00 0.00 C ATOM 1733 C TYR A 118 6.980 9.436 -4.954 1.00 0.00 C ATOM 1734 O TYR A 118 7.130 10.140 -3.969 1.00 0.00 O ATOM 1735 CB TYR A 118 6.438 7.023 -4.317 1.00 0.00 C ATOM 1736 CG TYR A 118 5.967 7.403 -2.895 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.167 8.511 -2.626 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.327 6.584 -1.846 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.746 8.774 -1.335 1.00 0.00 C ATOM 1740 CE2 TYR A 118 5.901 6.856 -0.561 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.112 7.944 -0.304 1.00 0.00 C ATOM 1742 OH TYR A 118 4.690 8.191 0.979 1.00 0.00 O ATOM 0 H TYR A 118 9.029 8.338 -3.606 1.00 0.00 H new ATOM 0 HA TYR A 118 7.519 7.760 -6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.557 6.944 -4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.886 6.031 -4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.874 9.169 -3.431 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.949 5.721 -2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.127 9.636 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.193 6.204 0.249 1.00 0.00 H new ATOM 0 HH TYR A 118 5.044 7.501 1.578 1.00 0.00 H new ATOM 1752 N GLN A 119 6.414 9.870 -6.035 1.00 0.00 N ATOM 1753 CA GLN A 119 5.916 11.278 -6.135 1.00 0.00 C ATOM 1754 C GLN A 119 4.430 11.340 -6.616 1.00 0.00 C ATOM 1755 O GLN A 119 4.104 10.723 -7.611 1.00 0.00 O ATOM 1756 CB GLN A 119 6.928 12.020 -7.115 1.00 0.00 C ATOM 1757 CG GLN A 119 8.242 11.172 -7.498 1.00 0.00 C ATOM 1758 CD GLN A 119 9.228 10.793 -6.364 1.00 0.00 C ATOM 1759 OE1 GLN A 119 10.143 10.031 -6.578 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.134 11.257 -5.161 1.00 0.00 N ATOM 0 H GLN A 119 6.269 9.306 -6.873 1.00 0.00 H new ATOM 0 HA GLN A 119 5.896 11.772 -5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.399 12.278 -8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 119 7.239 12.956 -6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.914 10.249 -7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.797 11.738 -8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.383 11.904 -4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.811 10.976 -4.452 1.00 0.00 H new ATOM 1769 N PHE A 120 3.575 12.059 -5.905 1.00 0.00 N ATOM 1770 CA PHE A 120 2.109 12.185 -6.299 1.00 0.00 C ATOM 1771 C PHE A 120 1.999 12.530 -7.809 1.00 0.00 C ATOM 1772 O PHE A 120 2.718 13.386 -8.284 1.00 0.00 O ATOM 1773 CB PHE A 120 1.422 13.324 -5.456 1.00 0.00 C ATOM 1774 CG PHE A 120 1.179 12.914 -3.988 1.00 0.00 C ATOM 1775 CD1 PHE A 120 2.239 12.778 -3.114 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.105 12.677 -3.509 1.00 0.00 C ATOM 1777 CE1 PHE A 120 2.037 12.417 -1.804 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.304 12.318 -2.195 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.766 12.188 -1.349 1.00 0.00 C ATOM 0 H PHE A 120 3.828 12.571 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 120 1.609 11.237 -6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.047 14.216 -5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.471 13.588 -5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.244 12.958 -3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -0.952 12.775 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.878 12.314 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.305 12.139 -1.831 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.606 11.904 -0.319 1.00 0.00 H new ATOM 1789 N VAL A 121 1.116 11.857 -8.508 1.00 0.00 N ATOM 1790 CA VAL A 121 0.886 12.055 -9.979 1.00 0.00 C ATOM 1791 C VAL A 121 -0.549 11.729 -10.500 1.00 0.00 C ATOM 1792 O VAL A 121 -1.388 11.245 -9.760 1.00 0.00 O ATOM 1793 CB VAL A 121 2.036 11.199 -10.633 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.567 10.075 -11.542 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.838 12.151 -11.539 1.00 0.00 C ATOM 0 H VAL A 121 0.515 11.142 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 121 0.929 13.109 -10.254 1.00 0.00 H new ATOM 0 HB VAL A 121 2.589 10.748 -9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.432 9.546 -11.942 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.948 9.381 -10.973 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.984 10.491 -12.364 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.649 11.602 -12.016 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.181 12.565 -12.304 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.252 12.961 -10.939 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.774 12.008 -11.766 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.122 11.743 -12.388 1.00 0.00 C ATOM 1807 C ASP A 122 -2.152 10.308 -12.983 1.00 0.00 C ATOM 1808 O ASP A 122 -1.119 9.701 -13.202 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.343 12.817 -13.500 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.765 12.849 -14.066 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.617 12.148 -13.547 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.896 13.609 -15.009 1.00 0.00 O ATOM 0 H ASP A 122 -0.082 12.409 -12.399 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.918 11.808 -11.647 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.103 13.800 -13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.644 12.630 -14.315 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.325 9.803 -13.227 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.450 8.437 -13.796 1.00 0.00 C ATOM 1819 C CYS A 123 -3.453 8.480 -15.314 1.00 0.00 C ATOM 1820 O CYS A 123 -2.730 7.783 -15.987 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.727 7.832 -13.227 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.803 7.803 -11.419 1.00 0.00 S ATOM 0 H CYS A 123 -4.209 10.282 -13.055 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.597 7.816 -13.522 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.580 8.395 -13.605 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.828 6.812 -13.599 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.292 9.343 -15.793 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.489 9.566 -17.252 1.00 0.00 C ATOM 1829 C ARG A 124 -4.502 8.226 -18.035 1.00 0.00 C ATOM 1830 O ARG A 124 -3.670 7.916 -18.870 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.357 10.495 -17.663 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.628 11.017 -19.068 1.00 0.00 C ATOM 1833 CD ARG A 124 -2.420 11.801 -19.485 1.00 0.00 C ATOM 1834 NE ARG A 124 -2.780 12.394 -20.809 1.00 0.00 N ATOM 1835 CZ ARG A 124 -2.879 13.659 -20.949 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -1.814 14.345 -20.988 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -4.043 14.157 -21.035 1.00 0.00 N ATOM 0 H ARG A 124 -4.880 9.934 -15.206 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.456 10.014 -17.480 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.278 11.326 -16.962 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.406 9.964 -17.636 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.809 10.192 -19.757 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -4.519 11.645 -19.081 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -2.183 12.577 -18.757 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -1.542 11.160 -19.566 1.00 0.00 H new ATOM 0 HE ARG A 124 -2.948 11.782 -21.608 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -0.907 13.884 -20.908 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -1.863 15.358 -21.099 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -4.862 13.550 -20.992 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -4.160 15.164 -21.147 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.498 7.469 -17.668 1.00 0.00 N ATOM 1852 CA ASP A 125 -5.726 6.133 -18.280 1.00 0.00 C ATOM 1853 C ASP A 125 -5.818 6.261 -19.836 1.00 0.00 C ATOM 1854 O ASP A 125 -6.392 7.238 -20.312 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.022 5.608 -17.628 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.171 4.102 -17.771 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.328 3.433 -17.196 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.110 3.666 -18.406 1.00 0.00 O ATOM 1859 OXT ASP A 125 -5.291 5.353 -20.459 1.00 0.00 O ATOM 0 H ASP A 125 -6.178 7.728 -16.953 1.00 0.00 H new ATOM 0 HA ASP A 125 -4.910 5.432 -18.104 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.027 5.873 -16.571 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.881 6.101 -18.084 1.00 0.00 H new TER 1864 ASP A 125