USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 769 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 99 GLN : amide:sc= -2.19! K(o=-0.98!,f=-0.09) USER MOD Set 1.2: A 103 SER OG : rot 62:sc= 1.21 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -177:sc= -1.29 (180deg=-1.41) USER MOD Single : A 11 THR OG1 : rot 37:sc= 0.81 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 149:sc= -0.807 (180deg=-2.05) USER MOD Single : A 17 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 19 GLN : amide:sc= -5.93! C(o=-5.9!,f=-8.2!) USER MOD Single : A 20 MET CE :methyl -139:sc= -0.162 (180deg=-0.665) USER MOD Single : A 26 GLN : amide:sc= 0.699 K(o=0.7,f=-5.1!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -80:sc= 1.07 USER MOD Single : A 32 ASN : amide:sc= 0.644 K(o=0.64,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0858 X(o=-0.086,f=-0.4) USER MOD Single : A 68 CYS SG : rot 80:sc= -1.53 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0.0262 K(o=0.026,f=-6.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -140:sc= -2.93! USER MOD Single : A 85 GLN : amide:sc= -0.74 K(o=-0.74,f=0.062) USER MOD Single : A 90 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.6) USER MOD Single : A 95 GLN : amide:sc= -4.99! K(o=-5!,f=-0.6) USER MOD Single : A 98 SER OG : rot 80:sc= 0.0166 USER MOD Single : A 106 GLN : amide:sc= -0.741 X(o=-0.74,f=-0.71) USER MOD Single : A 112 MET CE :methyl 148:sc= -1.07 (180deg=-2.1) USER MOD Single : A 113 LYS NZ :NH3+ -162:sc= 1.57 (180deg=1.08) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 119 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 3 -22.371 4.136 -3.652 1.00 0.00 N ATOM 38 CA SER A 3 -22.303 4.124 -2.217 1.00 0.00 C ATOM 39 C SER A 3 -20.939 4.650 -1.780 1.00 0.00 C ATOM 40 O SER A 3 -19.984 4.639 -2.571 1.00 0.00 O ATOM 41 CB SER A 3 -22.511 2.695 -1.702 1.00 0.00 C ATOM 42 OG SER A 3 -21.524 1.821 -2.222 1.00 0.00 O ATOM 0 HA SER A 3 -23.085 4.761 -1.803 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.472 2.687 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.502 2.342 -1.988 1.00 0.00 H new ATOM 0 HG SER A 3 -21.676 0.915 -1.879 1.00 0.00 H new ATOM 48 N PRO A 4 -20.814 5.135 -0.530 1.00 0.00 N ATOM 49 CA PRO A 4 -19.534 5.611 -0.002 1.00 0.00 C ATOM 50 C PRO A 4 -18.465 4.518 -0.057 1.00 0.00 C ATOM 51 O PRO A 4 -17.269 4.805 -0.067 1.00 0.00 O ATOM 52 CB PRO A 4 -19.849 5.983 1.460 1.00 0.00 C ATOM 53 CG PRO A 4 -21.165 5.340 1.754 1.00 0.00 C ATOM 54 CD PRO A 4 -21.900 5.282 0.450 1.00 0.00 C ATOM 0 HA PRO A 4 -19.137 6.446 -0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.074 5.619 2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -19.902 7.064 1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.027 4.341 2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.724 5.916 2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.594 4.442 0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.484 6.186 0.274 1.00 0.00 H new ATOM 62 N ALA A 5 -18.924 3.267 -0.122 1.00 0.00 N ATOM 63 CA ALA A 5 -18.047 2.112 -0.169 1.00 0.00 C ATOM 64 C ALA A 5 -17.161 2.120 -1.414 1.00 0.00 C ATOM 65 O ALA A 5 -15.995 1.744 -1.346 1.00 0.00 O ATOM 66 CB ALA A 5 -18.861 0.829 -0.103 1.00 0.00 C ATOM 0 H ALA A 5 -19.917 3.033 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.389 2.162 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.190 -0.030 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.430 0.806 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.547 0.789 -0.949 1.00 0.00 H new ATOM 72 N GLU A 6 -17.705 2.564 -2.545 1.00 0.00 N ATOM 73 CA GLU A 6 -16.941 2.595 -3.785 1.00 0.00 C ATOM 74 C GLU A 6 -15.765 3.556 -3.664 1.00 0.00 C ATOM 75 O GLU A 6 -14.614 3.197 -3.926 1.00 0.00 O ATOM 76 CB GLU A 6 -17.839 3.018 -4.952 1.00 0.00 C ATOM 77 CG GLU A 6 -19.085 2.160 -5.126 1.00 0.00 C ATOM 78 CD GLU A 6 -18.767 0.714 -5.445 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.440 0.417 -6.614 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.861 -0.134 -4.540 1.00 0.00 O ATOM 0 H GLU A 6 -18.663 2.904 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.558 1.593 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.143 4.054 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.258 2.985 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.679 2.203 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.698 2.577 -5.925 1.00 0.00 H new ATOM 87 N MET A 7 -16.074 4.773 -3.265 1.00 0.00 N ATOM 88 CA MET A 7 -15.075 5.828 -3.097 1.00 0.00 C ATOM 89 C MET A 7 -13.967 5.432 -2.124 1.00 0.00 C ATOM 90 O MET A 7 -12.787 5.634 -2.412 1.00 0.00 O ATOM 91 CB MET A 7 -15.732 7.125 -2.629 1.00 0.00 C ATOM 92 CG MET A 7 -16.650 7.758 -3.659 1.00 0.00 C ATOM 93 SD MET A 7 -17.408 9.283 -3.063 1.00 0.00 S ATOM 94 CE MET A 7 -18.420 8.661 -1.719 1.00 0.00 C ATOM 0 H MET A 7 -17.026 5.067 -3.045 1.00 0.00 H new ATOM 0 HA MET A 7 -14.618 5.983 -4.074 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.303 6.925 -1.723 1.00 0.00 H new ATOM 0 HB3 MET A 7 -14.953 7.840 -2.363 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.083 7.968 -4.566 1.00 0.00 H new ATOM 0 HG3 MET A 7 -17.432 7.048 -3.929 1.00 0.00 H new ATOM 0 HE1 MET A 7 -18.993 9.481 -1.285 1.00 0.00 H new ATOM 0 HE2 MET A 7 -19.104 7.902 -2.099 1.00 0.00 H new ATOM 0 HE3 MET A 7 -17.779 8.221 -0.954 1.00 0.00 H new ATOM 104 N VAL A 8 -14.342 4.855 -0.984 1.00 0.00 N ATOM 105 CA VAL A 8 -13.353 4.480 0.024 1.00 0.00 C ATOM 106 C VAL A 8 -12.463 3.334 -0.468 1.00 0.00 C ATOM 107 O VAL A 8 -11.273 3.287 -0.160 1.00 0.00 O ATOM 108 CB VAL A 8 -13.992 4.132 1.397 1.00 0.00 C ATOM 109 CG1 VAL A 8 -14.738 5.333 1.960 1.00 0.00 C ATOM 110 CG2 VAL A 8 -14.915 2.934 1.294 1.00 0.00 C ATOM 0 H VAL A 8 -15.308 4.640 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.729 5.360 0.181 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.184 3.870 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.178 5.070 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.044 6.163 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.527 5.628 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.344 2.720 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.716 3.151 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.350 2.068 0.948 1.00 0.00 H new ATOM 120 N LEU A 9 -13.035 2.435 -1.256 1.00 0.00 N ATOM 121 CA LEU A 9 -12.283 1.331 -1.825 1.00 0.00 C ATOM 122 C LEU A 9 -11.267 1.845 -2.811 1.00 0.00 C ATOM 123 O LEU A 9 -10.134 1.359 -2.864 1.00 0.00 O ATOM 124 CB LEU A 9 -13.219 0.335 -2.507 1.00 0.00 C ATOM 125 CG LEU A 9 -13.901 -0.660 -1.580 1.00 0.00 C ATOM 126 CD1 LEU A 9 -15.058 -1.344 -2.284 1.00 0.00 C ATOM 127 CD2 LEU A 9 -12.900 -1.692 -1.100 1.00 0.00 C ATOM 0 H LEU A 9 -14.021 2.451 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.763 0.818 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.988 0.893 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.650 -0.220 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.294 -0.117 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.531 -2.051 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.788 -0.596 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.687 -1.876 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.397 -2.400 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.488 -2.225 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.094 -1.194 -0.561 1.00 0.00 H new ATOM 139 N GLU A 10 -11.664 2.847 -3.580 1.00 0.00 N ATOM 140 CA GLU A 10 -10.819 3.443 -4.571 1.00 0.00 C ATOM 141 C GLU A 10 -9.603 4.047 -3.911 1.00 0.00 C ATOM 142 O GLU A 10 -8.500 3.814 -4.333 1.00 0.00 O ATOM 143 CB GLU A 10 -11.601 4.525 -5.326 1.00 0.00 C ATOM 144 CG GLU A 10 -10.897 5.061 -6.555 1.00 0.00 C ATOM 145 CD GLU A 10 -10.857 4.060 -7.687 1.00 0.00 C ATOM 146 OE1 GLU A 10 -11.509 4.298 -8.718 1.00 0.00 O ATOM 147 OE2 GLU A 10 -10.181 3.020 -7.550 1.00 0.00 O ATOM 0 H GLU A 10 -12.593 3.264 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.493 2.679 -5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.567 4.117 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.801 5.353 -4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.403 5.966 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.878 5.345 -6.290 1.00 0.00 H new ATOM 154 N THR A 11 -9.828 4.819 -2.860 1.00 0.00 N ATOM 155 CA THR A 11 -8.744 5.454 -2.132 1.00 0.00 C ATOM 156 C THR A 11 -7.744 4.441 -1.558 1.00 0.00 C ATOM 157 O THR A 11 -6.530 4.670 -1.593 1.00 0.00 O ATOM 158 CB THR A 11 -9.271 6.384 -1.023 1.00 0.00 C ATOM 159 OG1 THR A 11 -10.503 5.879 -0.491 1.00 0.00 O ATOM 160 CG2 THR A 11 -9.481 7.792 -1.556 1.00 0.00 C ATOM 0 H THR A 11 -10.757 5.021 -2.491 1.00 0.00 H new ATOM 0 HA THR A 11 -8.206 6.061 -2.861 1.00 0.00 H new ATOM 0 HB THR A 11 -8.526 6.418 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.467 4.900 -0.456 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.853 8.432 -0.756 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.534 8.186 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.206 7.769 -2.369 1.00 0.00 H new ATOM 168 N LEU A 12 -8.244 3.307 -1.086 1.00 0.00 N ATOM 169 CA LEU A 12 -7.378 2.278 -0.518 1.00 0.00 C ATOM 170 C LEU A 12 -6.579 1.611 -1.613 1.00 0.00 C ATOM 171 O LEU A 12 -5.372 1.424 -1.495 1.00 0.00 O ATOM 172 CB LEU A 12 -8.186 1.220 0.245 1.00 0.00 C ATOM 173 CG LEU A 12 -8.352 1.460 1.745 1.00 0.00 C ATOM 174 CD1 LEU A 12 -9.248 2.643 2.014 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.884 0.213 2.432 1.00 0.00 C ATOM 0 H LEU A 12 -9.237 3.075 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.703 2.765 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.177 1.154 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.706 0.252 0.103 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.369 1.687 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.346 2.788 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.815 3.537 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.232 2.460 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.995 0.405 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.853 -0.051 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.186 -0.611 2.282 1.00 0.00 H new ATOM 187 N MET A 13 -7.257 1.300 -2.695 1.00 0.00 N ATOM 188 CA MET A 13 -6.647 0.634 -3.835 1.00 0.00 C ATOM 189 C MET A 13 -5.821 1.600 -4.643 1.00 0.00 C ATOM 190 O MET A 13 -5.009 1.206 -5.466 1.00 0.00 O ATOM 191 CB MET A 13 -7.708 -0.038 -4.700 1.00 0.00 C ATOM 192 CG MET A 13 -8.331 -1.235 -4.023 1.00 0.00 C ATOM 193 SD MET A 13 -7.125 -2.539 -3.722 1.00 0.00 S ATOM 194 CE MET A 13 -7.860 -3.359 -2.319 1.00 0.00 C ATOM 0 H MET A 13 -8.250 1.500 -2.814 1.00 0.00 H new ATOM 0 HA MET A 13 -5.980 -0.141 -3.458 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.487 0.685 -4.942 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.259 -0.350 -5.643 1.00 0.00 H new ATOM 0 HG2 MET A 13 -8.776 -0.926 -3.077 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.139 -1.623 -4.643 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.228 -4.193 -2.013 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.954 -2.653 -1.494 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.847 -3.732 -2.592 1.00 0.00 H new ATOM 204 N MET A 14 -6.010 2.862 -4.369 1.00 0.00 N ATOM 205 CA MET A 14 -5.333 3.911 -5.086 1.00 0.00 C ATOM 206 C MET A 14 -3.922 3.996 -4.599 1.00 0.00 C ATOM 207 O MET A 14 -2.974 3.974 -5.390 1.00 0.00 O ATOM 208 CB MET A 14 -6.020 5.256 -4.865 1.00 0.00 C ATOM 209 CG MET A 14 -5.502 6.377 -5.757 1.00 0.00 C ATOM 210 SD MET A 14 -5.841 6.088 -7.506 1.00 0.00 S ATOM 211 CE MET A 14 -7.628 5.957 -7.480 1.00 0.00 C ATOM 0 H MET A 14 -6.640 3.194 -3.639 1.00 0.00 H new ATOM 0 HA MET A 14 -5.359 3.681 -6.151 1.00 0.00 H new ATOM 0 HB2 MET A 14 -7.090 5.137 -5.035 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.894 5.549 -3.823 1.00 0.00 H new ATOM 0 HG2 MET A 14 -5.960 7.318 -5.453 1.00 0.00 H new ATOM 0 HG3 MET A 14 -4.427 6.484 -5.612 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.033 6.321 -8.424 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.914 4.915 -7.340 1.00 0.00 H new ATOM 0 HE3 MET A 14 -8.025 6.556 -6.660 1.00 0.00 H new ATOM 221 N GLU A 15 -3.759 4.062 -3.280 1.00 0.00 N ATOM 222 CA GLU A 15 -2.449 4.183 -2.751 1.00 0.00 C ATOM 223 C GLU A 15 -1.800 2.842 -2.597 1.00 0.00 C ATOM 224 O GLU A 15 -0.601 2.735 -2.711 1.00 0.00 O ATOM 225 CB GLU A 15 -2.406 5.012 -1.485 1.00 0.00 C ATOM 226 CG GLU A 15 -3.236 4.502 -0.341 1.00 0.00 C ATOM 227 CD GLU A 15 -3.360 5.555 0.720 1.00 0.00 C ATOM 228 OE1 GLU A 15 -2.449 5.677 1.559 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.349 6.303 0.684 1.00 0.00 O ATOM 0 H GLU A 15 -4.511 4.033 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.856 4.739 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.370 5.082 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.734 6.024 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.226 4.218 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.779 3.606 0.078 1.00 0.00 H new ATOM 236 N LEU A 16 -2.598 1.802 -2.355 1.00 0.00 N ATOM 237 CA LEU A 16 -2.057 0.452 -2.328 1.00 0.00 C ATOM 238 C LEU A 16 -1.326 0.196 -3.630 1.00 0.00 C ATOM 239 O LEU A 16 -0.222 -0.326 -3.644 1.00 0.00 O ATOM 240 CB LEU A 16 -3.165 -0.592 -2.148 1.00 0.00 C ATOM 241 CG LEU A 16 -2.711 -2.054 -2.253 1.00 0.00 C ATOM 242 CD1 LEU A 16 -1.776 -2.416 -1.112 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.907 -2.987 -2.288 1.00 0.00 C ATOM 0 H LEU A 16 -3.600 1.869 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.376 0.365 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.628 -0.442 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.935 -0.413 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.162 -2.171 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.469 -3.457 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.896 -1.773 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.291 -2.277 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.562 -4.018 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.491 -2.865 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.529 -2.749 -3.151 1.00 0.00 H new ATOM 255 N THR A 17 -1.956 0.597 -4.719 1.00 0.00 N ATOM 256 CA THR A 17 -1.363 0.446 -6.036 1.00 0.00 C ATOM 257 C THR A 17 -0.100 1.318 -6.203 1.00 0.00 C ATOM 258 O THR A 17 0.964 0.816 -6.565 1.00 0.00 O ATOM 259 CB THR A 17 -2.365 0.766 -7.157 1.00 0.00 C ATOM 260 OG1 THR A 17 -3.493 -0.121 -7.068 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.721 0.624 -8.532 1.00 0.00 C ATOM 0 H THR A 17 -2.879 1.030 -4.718 1.00 0.00 H new ATOM 0 HA THR A 17 -1.074 -0.602 -6.119 1.00 0.00 H new ATOM 0 HB THR A 17 -2.691 1.799 -7.033 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.061 0.146 -6.315 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.455 0.857 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.879 1.312 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.368 -0.399 -8.664 1.00 0.00 H new ATOM 269 N GLY A 18 -0.222 2.613 -5.915 1.00 0.00 N ATOM 270 CA GLY A 18 0.890 3.527 -6.082 1.00 0.00 C ATOM 271 C GLY A 18 2.043 3.213 -5.166 1.00 0.00 C ATOM 272 O GLY A 18 3.199 3.416 -5.523 1.00 0.00 O ATOM 0 H GLY A 18 -1.078 3.044 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.233 3.491 -7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.549 4.545 -5.895 1.00 0.00 H new ATOM 276 N GLN A 19 1.733 2.691 -4.001 1.00 0.00 N ATOM 277 CA GLN A 19 2.744 2.356 -3.036 1.00 0.00 C ATOM 278 C GLN A 19 3.334 1.005 -3.352 1.00 0.00 C ATOM 279 O GLN A 19 4.491 0.755 -3.069 1.00 0.00 O ATOM 280 CB GLN A 19 2.193 2.421 -1.609 1.00 0.00 C ATOM 281 CG GLN A 19 1.852 3.842 -1.158 1.00 0.00 C ATOM 282 CD GLN A 19 1.042 3.891 0.124 1.00 0.00 C ATOM 283 OE1 GLN A 19 1.152 3.023 0.976 1.00 0.00 O ATOM 284 NE2 GLN A 19 0.226 4.918 0.266 1.00 0.00 N ATOM 0 H GLN A 19 0.779 2.490 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 19 3.544 3.094 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.298 1.802 -1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.926 1.996 -0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.777 4.402 -1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.295 4.342 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.161 5.623 -0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.340 5.007 1.110 1.00 0.00 H new ATOM 293 N MET A 20 2.527 0.122 -3.938 1.00 0.00 N ATOM 294 CA MET A 20 3.031 -1.170 -4.401 1.00 0.00 C ATOM 295 C MET A 20 3.992 -0.942 -5.552 1.00 0.00 C ATOM 296 O MET A 20 5.021 -1.605 -5.670 1.00 0.00 O ATOM 297 CB MET A 20 1.880 -2.079 -4.843 1.00 0.00 C ATOM 298 CG MET A 20 2.311 -3.487 -5.222 1.00 0.00 C ATOM 299 SD MET A 20 0.926 -4.530 -5.731 1.00 0.00 S ATOM 300 CE MET A 20 -0.058 -4.558 -4.231 1.00 0.00 C ATOM 0 H MET A 20 1.532 0.275 -4.102 1.00 0.00 H new ATOM 0 HA MET A 20 3.550 -1.665 -3.580 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.149 -2.139 -4.037 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.378 -1.622 -5.696 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.037 -3.434 -6.033 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.815 -3.949 -4.373 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.445 -5.564 -4.068 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.562 -4.266 -3.384 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.890 -3.861 -4.329 1.00 0.00 H new ATOM 310 N ARG A 21 3.647 0.026 -6.378 1.00 0.00 N ATOM 311 CA ARG A 21 4.481 0.413 -7.505 1.00 0.00 C ATOM 312 C ARG A 21 5.740 1.105 -6.999 1.00 0.00 C ATOM 313 O ARG A 21 6.850 0.783 -7.421 1.00 0.00 O ATOM 314 CB ARG A 21 3.718 1.335 -8.451 1.00 0.00 C ATOM 315 CG ARG A 21 4.512 1.747 -9.680 1.00 0.00 C ATOM 316 CD ARG A 21 3.697 2.645 -10.585 1.00 0.00 C ATOM 317 NE ARG A 21 2.484 1.981 -11.060 1.00 0.00 N ATOM 318 CZ ARG A 21 1.407 2.618 -11.511 1.00 0.00 C ATOM 319 NH1 ARG A 21 1.378 3.945 -11.539 1.00 0.00 N ATOM 320 NH2 ARG A 21 0.356 1.923 -11.932 1.00 0.00 N ATOM 0 H ARG A 21 2.786 0.566 -6.290 1.00 0.00 H new ATOM 0 HA ARG A 21 4.761 -0.485 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.804 0.835 -8.771 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.418 2.231 -7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.420 2.265 -9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.823 0.858 -10.230 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.427 3.554 -10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.304 2.948 -11.439 1.00 0.00 H new ATOM 0 HE ARG A 21 2.462 0.961 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.184 4.480 -11.214 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.550 4.430 -11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.376 0.903 -11.909 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.471 2.409 -12.278 1.00 0.00 H new ATOM 334 N GLU A 22 5.556 2.080 -6.115 1.00 0.00 N ATOM 335 CA GLU A 22 6.684 2.750 -5.478 1.00 0.00 C ATOM 336 C GLU A 22 7.582 1.730 -4.781 1.00 0.00 C ATOM 337 O GLU A 22 8.808 1.811 -4.857 1.00 0.00 O ATOM 338 CB GLU A 22 6.193 3.810 -4.491 1.00 0.00 C ATOM 339 CG GLU A 22 7.306 4.586 -3.812 1.00 0.00 C ATOM 340 CD GLU A 22 6.800 5.824 -3.114 1.00 0.00 C ATOM 341 OE1 GLU A 22 6.400 5.735 -1.944 1.00 0.00 O ATOM 342 OE2 GLU A 22 6.798 6.905 -3.747 1.00 0.00 O ATOM 0 H GLU A 22 4.640 2.423 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 22 7.270 3.252 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.546 4.510 -5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.584 3.326 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.805 3.942 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.053 4.870 -4.554 1.00 0.00 H new ATOM 349 N ALA A 23 6.966 0.763 -4.116 1.00 0.00 N ATOM 350 CA ALA A 23 7.710 -0.314 -3.462 1.00 0.00 C ATOM 351 C ALA A 23 8.499 -1.137 -4.487 1.00 0.00 C ATOM 352 O ALA A 23 9.609 -1.598 -4.209 1.00 0.00 O ATOM 353 CB ALA A 23 6.773 -1.205 -2.680 1.00 0.00 C ATOM 0 H ALA A 23 5.953 0.699 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 23 8.421 0.138 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.343 -2.000 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.261 -0.616 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.038 -1.642 -3.356 1.00 0.00 H new ATOM 359 N GLU A 24 7.907 -1.328 -5.661 1.00 0.00 N ATOM 360 CA GLU A 24 8.566 -2.018 -6.771 1.00 0.00 C ATOM 361 C GLU A 24 9.860 -1.279 -7.134 1.00 0.00 C ATOM 362 O GLU A 24 10.882 -1.888 -7.485 1.00 0.00 O ATOM 363 CB GLU A 24 7.622 -2.060 -7.983 1.00 0.00 C ATOM 364 CG GLU A 24 8.145 -2.846 -9.170 1.00 0.00 C ATOM 365 CD GLU A 24 8.237 -4.323 -8.889 1.00 0.00 C ATOM 366 OE1 GLU A 24 9.355 -4.813 -8.668 1.00 0.00 O ATOM 367 OE2 GLU A 24 7.184 -5.000 -8.890 1.00 0.00 O ATOM 0 H GLU A 24 6.961 -1.011 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 24 8.809 -3.039 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.671 -2.491 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.419 -1.038 -8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.491 -2.683 -10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.130 -2.470 -9.445 1.00 0.00 H new ATOM 374 N ARG A 25 9.813 0.039 -7.034 1.00 0.00 N ATOM 375 CA ARG A 25 10.973 0.856 -7.312 1.00 0.00 C ATOM 376 C ARG A 25 11.993 0.743 -6.198 1.00 0.00 C ATOM 377 O ARG A 25 13.171 0.913 -6.431 1.00 0.00 O ATOM 378 CB ARG A 25 10.593 2.318 -7.516 1.00 0.00 C ATOM 379 CG ARG A 25 9.766 2.575 -8.755 1.00 0.00 C ATOM 380 CD ARG A 25 9.924 4.009 -9.219 1.00 0.00 C ATOM 381 NE ARG A 25 11.336 4.341 -9.447 1.00 0.00 N ATOM 382 CZ ARG A 25 11.996 4.085 -10.584 1.00 0.00 C ATOM 383 NH1 ARG A 25 11.352 3.572 -11.627 1.00 0.00 N ATOM 384 NH2 ARG A 25 13.293 4.358 -10.679 1.00 0.00 N ATOM 0 H ARG A 25 8.981 0.563 -6.762 1.00 0.00 H new ATOM 0 HA ARG A 25 11.414 0.484 -8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.038 2.663 -6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.504 2.915 -7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.072 1.895 -9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.716 2.369 -8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.359 4.161 -10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.505 4.684 -8.473 1.00 0.00 H new ATOM 0 HE ARG A 25 11.847 4.796 -8.691 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.354 3.373 -11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.856 3.378 -12.492 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.788 4.763 -9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.793 4.162 -11.546 1.00 0.00 H new ATOM 398 N GLN A 26 11.529 0.446 -4.990 1.00 0.00 N ATOM 399 CA GLN A 26 12.418 0.317 -3.839 1.00 0.00 C ATOM 400 C GLN A 26 13.398 -0.825 -4.066 1.00 0.00 C ATOM 401 O GLN A 26 14.605 -0.640 -3.952 1.00 0.00 O ATOM 402 CB GLN A 26 11.601 0.099 -2.547 1.00 0.00 C ATOM 403 CG GLN A 26 12.346 0.409 -1.238 1.00 0.00 C ATOM 404 CD GLN A 26 13.310 -0.685 -0.794 1.00 0.00 C ATOM 405 OE1 GLN A 26 14.488 -0.672 -1.137 1.00 0.00 O ATOM 406 NE2 GLN A 26 12.817 -1.615 -0.003 1.00 0.00 N ATOM 0 H GLN A 26 10.543 0.290 -4.781 1.00 0.00 H new ATOM 0 HA GLN A 26 12.986 1.240 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.707 0.721 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.267 -0.938 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.901 1.339 -1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.614 0.576 -0.447 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.832 -1.591 0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.420 -2.359 0.347 1.00 0.00 H new ATOM 415 N GLN A 27 12.880 -1.998 -4.429 1.00 0.00 N ATOM 416 CA GLN A 27 13.744 -3.151 -4.678 1.00 0.00 C ATOM 417 C GLN A 27 14.689 -2.880 -5.855 1.00 0.00 C ATOM 418 O GLN A 27 15.855 -3.279 -5.830 1.00 0.00 O ATOM 419 CB GLN A 27 12.933 -4.435 -4.925 1.00 0.00 C ATOM 420 CG GLN A 27 12.072 -4.406 -6.175 1.00 0.00 C ATOM 421 CD GLN A 27 11.564 -5.776 -6.562 1.00 0.00 C ATOM 422 OE1 GLN A 27 12.213 -6.500 -7.321 1.00 0.00 O ATOM 423 NE2 GLN A 27 10.408 -6.145 -6.054 1.00 0.00 N ATOM 0 H GLN A 27 11.883 -2.174 -4.556 1.00 0.00 H new ATOM 0 HA GLN A 27 14.340 -3.306 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 27 13.622 -5.277 -4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.292 -4.616 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.224 -3.741 -6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.650 -3.990 -7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.902 -5.517 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.018 -7.059 -6.284 1.00 0.00 H new ATOM 432 N ARG A 28 14.187 -2.187 -6.876 1.00 0.00 N ATOM 433 CA ARG A 28 15.010 -1.850 -8.037 1.00 0.00 C ATOM 434 C ARG A 28 16.041 -0.774 -7.690 1.00 0.00 C ATOM 435 O ARG A 28 17.131 -0.733 -8.260 1.00 0.00 O ATOM 436 CB ARG A 28 14.140 -1.415 -9.216 1.00 0.00 C ATOM 437 CG ARG A 28 13.462 -2.577 -9.927 1.00 0.00 C ATOM 438 CD ARG A 28 12.654 -2.116 -11.129 1.00 0.00 C ATOM 439 NE ARG A 28 11.401 -1.453 -10.745 1.00 0.00 N ATOM 440 CZ ARG A 28 10.860 -0.419 -11.404 1.00 0.00 C ATOM 441 NH1 ARG A 28 11.529 0.169 -12.396 1.00 0.00 N ATOM 442 NH2 ARG A 28 9.663 0.043 -11.048 1.00 0.00 N ATOM 0 H ARG A 28 13.225 -1.851 -6.924 1.00 0.00 H new ATOM 0 HA ARG A 28 15.553 -2.748 -8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.378 -0.722 -8.860 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.756 -0.870 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.217 -3.294 -10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.807 -3.097 -9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.256 -1.430 -11.726 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.428 -2.975 -11.761 1.00 0.00 H new ATOM 0 HE ARG A 28 10.910 -1.803 -9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.456 -0.168 -12.656 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.114 0.956 -12.895 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.159 -0.390 -10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.250 0.830 -11.549 1.00 0.00 H new ATOM 456 N GLU A 29 15.693 0.079 -6.746 1.00 0.00 N ATOM 457 CA GLU A 29 16.574 1.139 -6.293 1.00 0.00 C ATOM 458 C GLU A 29 17.679 0.549 -5.426 1.00 0.00 C ATOM 459 O GLU A 29 18.854 0.898 -5.562 1.00 0.00 O ATOM 460 CB GLU A 29 15.772 2.169 -5.483 1.00 0.00 C ATOM 461 CG GLU A 29 16.498 3.474 -5.228 1.00 0.00 C ATOM 462 CD GLU A 29 16.741 4.250 -6.498 1.00 0.00 C ATOM 463 OE1 GLU A 29 17.868 4.189 -7.028 1.00 0.00 O ATOM 464 OE2 GLU A 29 15.804 4.915 -6.980 1.00 0.00 O ATOM 0 H GLU A 29 14.791 0.057 -6.271 1.00 0.00 H new ATOM 0 HA GLU A 29 17.019 1.632 -7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.842 2.383 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.500 1.726 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.914 4.083 -4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.452 3.268 -4.742 1.00 0.00 H new ATOM 471 N ARG A 30 17.283 -0.363 -4.545 1.00 0.00 N ATOM 472 CA ARG A 30 18.197 -1.022 -3.622 1.00 0.00 C ATOM 473 C ARG A 30 19.238 -1.838 -4.379 1.00 0.00 C ATOM 474 O ARG A 30 20.429 -1.782 -4.075 1.00 0.00 O ATOM 475 CB ARG A 30 17.413 -1.939 -2.682 1.00 0.00 C ATOM 476 CG ARG A 30 18.189 -2.391 -1.455 1.00 0.00 C ATOM 477 CD ARG A 30 18.457 -1.224 -0.524 1.00 0.00 C ATOM 478 NE ARG A 30 17.219 -0.526 -0.169 1.00 0.00 N ATOM 479 CZ ARG A 30 17.166 0.669 0.413 1.00 0.00 C ATOM 480 NH1 ARG A 30 18.286 1.316 0.723 1.00 0.00 N ATOM 481 NH2 ARG A 30 15.990 1.219 0.678 1.00 0.00 N ATOM 0 H ARG A 30 16.314 -0.667 -4.451 1.00 0.00 H new ATOM 0 HA ARG A 30 18.711 -0.255 -3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.511 -1.420 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.091 -2.819 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.626 -3.161 -0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.133 -2.841 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.945 -1.584 0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.145 -0.527 -1.002 1.00 0.00 H new ATOM 0 HE ARG A 30 16.336 -0.989 -0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.192 0.896 0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.239 2.232 1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.130 0.726 0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.944 2.135 1.124 1.00 0.00 H new ATOM 495 N SER A 31 18.781 -2.586 -5.367 1.00 0.00 N ATOM 496 CA SER A 31 19.667 -3.419 -6.160 1.00 0.00 C ATOM 497 C SER A 31 20.631 -2.559 -6.954 1.00 0.00 C ATOM 498 O SER A 31 21.828 -2.812 -6.977 1.00 0.00 O ATOM 499 CB SER A 31 18.858 -4.332 -7.078 1.00 0.00 C ATOM 500 OG SER A 31 17.806 -3.618 -7.701 1.00 0.00 O ATOM 0 H SER A 31 17.799 -2.634 -5.640 1.00 0.00 H new ATOM 0 HA SER A 31 20.252 -4.048 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 31 19.511 -4.762 -7.838 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.449 -5.162 -6.503 1.00 0.00 H new ATOM 0 HG SER A 31 17.055 -3.532 -7.078 1.00 0.00 H new ATOM 506 N ASN A 32 20.103 -1.527 -7.595 1.00 0.00 N ATOM 507 CA ASN A 32 20.919 -0.577 -8.341 1.00 0.00 C ATOM 508 C ASN A 32 21.994 0.057 -7.453 1.00 0.00 C ATOM 509 O ASN A 32 23.085 0.372 -7.917 1.00 0.00 O ATOM 510 CB ASN A 32 20.017 0.501 -8.969 1.00 0.00 C ATOM 511 CG ASN A 32 20.522 1.914 -8.749 1.00 0.00 C ATOM 512 OD1 ASN A 32 21.269 2.457 -9.564 1.00 0.00 O ATOM 513 ND2 ASN A 32 20.122 2.510 -7.646 1.00 0.00 N ATOM 0 H ASN A 32 19.104 -1.324 -7.614 1.00 0.00 H new ATOM 0 HA ASN A 32 21.435 -1.115 -9.136 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.934 0.316 -10.040 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.014 0.413 -8.552 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.431 3.460 -7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.503 2.022 -6.999 1.00 0.00 H new ATOM 862 N LEU A 56 -2.045 -9.894 -5.215 1.00 0.00 N ATOM 863 CA LEU A 56 -3.372 -9.407 -4.973 1.00 0.00 C ATOM 864 C LEU A 56 -4.347 -10.272 -5.743 1.00 0.00 C ATOM 865 O LEU A 56 -4.862 -9.883 -6.791 1.00 0.00 O ATOM 866 CB LEU A 56 -3.514 -7.935 -5.360 1.00 0.00 C ATOM 867 CG LEU A 56 -4.801 -7.244 -4.885 1.00 0.00 C ATOM 868 CD1 LEU A 56 -4.927 -7.330 -3.371 1.00 0.00 C ATOM 869 CD2 LEU A 56 -4.824 -5.790 -5.335 1.00 0.00 C ATOM 0 HA LEU A 56 -3.588 -9.467 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.660 -7.389 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.461 -7.857 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.651 -7.759 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.845 -6.835 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.955 -8.376 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.071 -6.840 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.743 -5.317 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.966 -5.266 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.780 -5.745 -6.423 1.00 0.00 H new ATOM 881 N SER A 57 -4.542 -11.467 -5.246 1.00 0.00 N ATOM 882 CA SER A 57 -5.405 -12.428 -5.878 1.00 0.00 C ATOM 883 C SER A 57 -6.869 -12.048 -5.670 1.00 0.00 C ATOM 884 O SER A 57 -7.197 -11.364 -4.704 1.00 0.00 O ATOM 885 CB SER A 57 -5.109 -13.821 -5.315 1.00 0.00 C ATOM 886 OG SER A 57 -3.758 -14.194 -5.578 1.00 0.00 O ATOM 0 H SER A 57 -4.104 -11.801 -4.387 1.00 0.00 H new ATOM 0 HA SER A 57 -5.217 -12.437 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.292 -13.831 -4.240 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.786 -14.550 -5.760 1.00 0.00 H new ATOM 0 HG SER A 57 -3.587 -15.086 -5.209 1.00 0.00 H new ATOM 892 N PRO A 58 -7.757 -12.456 -6.602 1.00 0.00 N ATOM 893 CA PRO A 58 -9.198 -12.174 -6.530 1.00 0.00 C ATOM 894 C PRO A 58 -9.798 -12.333 -5.130 1.00 0.00 C ATOM 895 O PRO A 58 -10.579 -11.488 -4.687 1.00 0.00 O ATOM 896 CB PRO A 58 -9.792 -13.200 -7.482 1.00 0.00 C ATOM 897 CG PRO A 58 -8.749 -13.372 -8.531 1.00 0.00 C ATOM 898 CD PRO A 58 -7.415 -13.195 -7.840 1.00 0.00 C ATOM 0 HA PRO A 58 -9.410 -11.136 -6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.003 -14.140 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.732 -12.850 -7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.820 -14.357 -8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.874 -12.638 -9.327 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.949 -14.155 -7.618 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.714 -12.636 -8.460 1.00 0.00 H new ATOM 906 N ILE A 59 -9.419 -13.393 -4.430 1.00 0.00 N ATOM 907 CA ILE A 59 -9.966 -13.636 -3.093 1.00 0.00 C ATOM 908 C ILE A 59 -9.382 -12.665 -2.086 1.00 0.00 C ATOM 909 O ILE A 59 -10.089 -12.157 -1.222 1.00 0.00 O ATOM 910 CB ILE A 59 -9.770 -15.097 -2.608 1.00 0.00 C ATOM 911 CG1 ILE A 59 -8.282 -15.456 -2.460 1.00 0.00 C ATOM 912 CG2 ILE A 59 -10.460 -16.049 -3.563 1.00 0.00 C ATOM 913 CD1 ILE A 59 -8.043 -16.832 -1.872 1.00 0.00 C ATOM 0 H ILE A 59 -8.748 -14.090 -4.753 1.00 0.00 H new ATOM 0 HA ILE A 59 -11.041 -13.472 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 59 -10.220 -15.190 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.805 -15.401 -3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.799 -14.711 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.320 -17.074 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -11.525 -15.820 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.032 -15.939 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.971 -17.015 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.490 -16.886 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.496 -17.586 -2.515 1.00 0.00 H new ATOM 925 N GLU A 60 -8.089 -12.404 -2.215 1.00 0.00 N ATOM 926 CA GLU A 60 -7.407 -11.444 -1.368 1.00 0.00 C ATOM 927 C GLU A 60 -8.054 -10.085 -1.552 1.00 0.00 C ATOM 928 O GLU A 60 -8.345 -9.381 -0.591 1.00 0.00 O ATOM 929 CB GLU A 60 -5.920 -11.389 -1.741 1.00 0.00 C ATOM 930 CG GLU A 60 -5.053 -10.617 -0.762 1.00 0.00 C ATOM 931 CD GLU A 60 -5.068 -11.223 0.624 1.00 0.00 C ATOM 932 OE1 GLU A 60 -5.175 -10.468 1.605 1.00 0.00 O ATOM 933 OE2 GLU A 60 -4.979 -12.464 0.739 1.00 0.00 O ATOM 0 H GLU A 60 -7.488 -12.851 -2.907 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.487 -11.742 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.540 -12.408 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.823 -10.937 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.028 -10.589 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.401 -9.585 -0.708 1.00 0.00 H new ATOM 940 N ARG A 61 -8.300 -9.744 -2.804 1.00 0.00 N ATOM 941 CA ARG A 61 -8.967 -8.502 -3.159 1.00 0.00 C ATOM 942 C ARG A 61 -10.329 -8.408 -2.485 1.00 0.00 C ATOM 943 O ARG A 61 -10.624 -7.442 -1.789 1.00 0.00 O ATOM 944 CB ARG A 61 -9.124 -8.414 -4.689 1.00 0.00 C ATOM 945 CG ARG A 61 -10.202 -7.441 -5.157 1.00 0.00 C ATOM 946 CD ARG A 61 -9.901 -6.021 -4.731 1.00 0.00 C ATOM 947 NE ARG A 61 -11.036 -5.131 -4.968 1.00 0.00 N ATOM 948 CZ ARG A 61 -10.958 -3.929 -5.531 1.00 0.00 C ATOM 949 NH1 ARG A 61 -9.798 -3.465 -5.981 1.00 0.00 N ATOM 950 NH2 ARG A 61 -12.051 -3.197 -5.653 1.00 0.00 N ATOM 0 H ARG A 61 -8.043 -10.320 -3.605 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.357 -7.668 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.170 -8.116 -5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.355 -9.407 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.284 -7.485 -6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.167 -7.745 -4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.642 -6.006 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.032 -5.654 -5.277 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.958 -5.457 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.955 -4.032 -5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.750 -2.541 -6.411 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.945 -3.555 -5.317 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.001 -2.274 -6.084 1.00 0.00 H new ATOM 964 N LEU A 62 -11.137 -9.417 -2.706 1.00 0.00 N ATOM 965 CA LEU A 62 -12.484 -9.478 -2.156 1.00 0.00 C ATOM 966 C LEU A 62 -12.467 -9.417 -0.637 1.00 0.00 C ATOM 967 O LEU A 62 -13.293 -8.745 -0.033 1.00 0.00 O ATOM 968 CB LEU A 62 -13.200 -10.745 -2.612 1.00 0.00 C ATOM 969 CG LEU A 62 -14.610 -10.929 -2.053 1.00 0.00 C ATOM 970 CD1 LEU A 62 -15.558 -9.883 -2.620 1.00 0.00 C ATOM 971 CD2 LEU A 62 -15.121 -12.332 -2.331 1.00 0.00 C ATOM 0 H LEU A 62 -10.884 -10.226 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.026 -8.609 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.255 -10.741 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.597 -11.607 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.567 -10.793 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.556 -10.034 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.203 -8.888 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.596 -9.977 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.126 -12.440 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.145 -12.504 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.459 -13.060 -1.862 1.00 0.00 H new ATOM 983 N GLN A 63 -11.525 -10.120 -0.027 1.00 0.00 N ATOM 984 CA GLN A 63 -11.398 -10.131 1.424 1.00 0.00 C ATOM 985 C GLN A 63 -11.196 -8.714 1.941 1.00 0.00 C ATOM 986 O GLN A 63 -11.893 -8.265 2.850 1.00 0.00 O ATOM 987 CB GLN A 63 -10.220 -11.005 1.846 1.00 0.00 C ATOM 988 CG GLN A 63 -10.548 -11.979 2.960 1.00 0.00 C ATOM 989 CD GLN A 63 -11.526 -13.047 2.517 1.00 0.00 C ATOM 990 OE1 GLN A 63 -12.744 -12.890 2.640 1.00 0.00 O ATOM 991 NE2 GLN A 63 -11.000 -14.132 1.982 1.00 0.00 N ATOM 0 H GLN A 63 -10.835 -10.692 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.314 -10.541 1.850 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.866 -11.564 0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.400 -10.363 2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.630 -12.452 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.967 -11.433 3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.987 -14.220 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.606 -14.882 1.651 1.00 0.00 H new ATOM 1000 N LEU A 64 -10.248 -8.017 1.332 1.00 0.00 N ATOM 1001 CA LEU A 64 -9.928 -6.644 1.703 1.00 0.00 C ATOM 1002 C LEU A 64 -11.081 -5.724 1.367 1.00 0.00 C ATOM 1003 O LEU A 64 -11.362 -4.766 2.092 1.00 0.00 O ATOM 1004 CB LEU A 64 -8.648 -6.165 0.991 1.00 0.00 C ATOM 1005 CG LEU A 64 -7.306 -6.530 1.657 1.00 0.00 C ATOM 1006 CD1 LEU A 64 -7.154 -5.823 2.986 1.00 0.00 C ATOM 1007 CD2 LEU A 64 -7.171 -8.027 1.843 1.00 0.00 C ATOM 0 H LEU A 64 -9.680 -8.385 0.569 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.755 -6.618 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.648 -6.573 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.697 -5.080 0.897 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.510 -6.197 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.200 -6.096 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.186 -4.745 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.966 -6.118 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.214 -8.250 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.981 -8.390 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.221 -8.520 0.872 1.00 0.00 H new ATOM 1019 N GLU A 65 -11.750 -6.023 0.270 1.00 0.00 N ATOM 1020 CA GLU A 65 -12.872 -5.244 -0.175 1.00 0.00 C ATOM 1021 C GLU A 65 -13.994 -5.350 0.819 1.00 0.00 C ATOM 1022 O GLU A 65 -14.604 -4.353 1.195 1.00 0.00 O ATOM 1023 CB GLU A 65 -13.313 -5.719 -1.561 1.00 0.00 C ATOM 1024 CG GLU A 65 -14.398 -4.883 -2.200 1.00 0.00 C ATOM 1025 CD GLU A 65 -14.637 -5.274 -3.637 1.00 0.00 C ATOM 1026 OE1 GLU A 65 -15.563 -6.061 -3.898 1.00 0.00 O ATOM 1027 OE2 GLU A 65 -13.887 -4.805 -4.515 1.00 0.00 O ATOM 0 H GLU A 65 -11.525 -6.815 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.584 -4.195 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.445 -5.728 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.665 -6.748 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -15.323 -4.995 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.121 -3.830 -2.152 1.00 0.00 H new ATOM 1034 N ASP A 66 -14.225 -6.560 1.272 1.00 0.00 N ATOM 1035 CA ASP A 66 -15.249 -6.841 2.260 1.00 0.00 C ATOM 1036 C ASP A 66 -15.001 -6.036 3.518 1.00 0.00 C ATOM 1037 O ASP A 66 -15.925 -5.473 4.104 1.00 0.00 O ATOM 1038 CB ASP A 66 -15.278 -8.341 2.582 1.00 0.00 C ATOM 1039 CG ASP A 66 -16.280 -8.705 3.665 1.00 0.00 C ATOM 1040 OD1 ASP A 66 -17.492 -8.791 3.358 1.00 0.00 O ATOM 1041 OD2 ASP A 66 -15.858 -8.948 4.817 1.00 0.00 O ATOM 0 H ASP A 66 -13.707 -7.384 0.966 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.218 -6.554 1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.517 -8.896 1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.283 -8.657 2.896 1.00 0.00 H new ATOM 1046 N VAL A 67 -13.742 -5.951 3.902 1.00 0.00 N ATOM 1047 CA VAL A 67 -13.361 -5.210 5.095 1.00 0.00 C ATOM 1048 C VAL A 67 -13.626 -3.721 4.923 1.00 0.00 C ATOM 1049 O VAL A 67 -14.158 -3.077 5.819 1.00 0.00 O ATOM 1050 CB VAL A 67 -11.874 -5.410 5.459 1.00 0.00 C ATOM 1051 CG1 VAL A 67 -11.538 -4.683 6.750 1.00 0.00 C ATOM 1052 CG2 VAL A 67 -11.543 -6.881 5.578 1.00 0.00 C ATOM 0 H VAL A 67 -12.963 -6.385 3.407 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.974 -5.605 5.905 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.268 -4.988 4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.486 -4.836 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.732 -3.617 6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.155 -5.074 7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.490 -6.997 5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.159 -7.331 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.741 -7.377 4.628 1.00 0.00 H new ATOM 1062 N CYS A 68 -13.291 -3.189 3.755 1.00 0.00 N ATOM 1063 CA CYS A 68 -13.431 -1.767 3.510 1.00 0.00 C ATOM 1064 C CYS A 68 -14.897 -1.395 3.377 1.00 0.00 C ATOM 1065 O CYS A 68 -15.311 -0.310 3.778 1.00 0.00 O ATOM 1066 CB CYS A 68 -12.648 -1.357 2.269 1.00 0.00 C ATOM 1067 SG CYS A 68 -12.581 0.425 1.987 1.00 0.00 S ATOM 0 H CYS A 68 -12.922 -3.722 2.967 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.019 -1.225 4.361 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.630 -1.738 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -13.096 -1.834 1.397 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.674 0.952 2.754 1.00 0.00 H new ATOM 1073 N VAL A 69 -15.678 -2.304 2.813 1.00 0.00 N ATOM 1074 CA VAL A 69 -17.117 -2.113 2.697 1.00 0.00 C ATOM 1075 C VAL A 69 -17.763 -2.073 4.093 1.00 0.00 C ATOM 1076 O VAL A 69 -18.793 -1.420 4.306 1.00 0.00 O ATOM 1077 CB VAL A 69 -17.766 -3.239 1.840 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -19.280 -3.160 1.885 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -17.285 -3.155 0.400 1.00 0.00 C ATOM 0 H VAL A 69 -15.338 -3.185 2.427 1.00 0.00 H new ATOM 0 HA VAL A 69 -17.291 -1.161 2.196 1.00 0.00 H new ATOM 0 HB VAL A 69 -17.461 -4.196 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -19.704 -3.959 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.620 -3.268 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.606 -2.196 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -17.748 -3.949 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -17.560 -2.187 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -16.201 -3.268 0.371 1.00 0.00 H new ATOM 1089 N LYS A 70 -17.143 -2.756 5.046 1.00 0.00 N ATOM 1090 CA LYS A 70 -17.644 -2.783 6.410 1.00 0.00 C ATOM 1091 C LYS A 70 -17.059 -1.649 7.256 1.00 0.00 C ATOM 1092 O LYS A 70 -17.312 -1.571 8.459 1.00 0.00 O ATOM 1093 CB LYS A 70 -17.355 -4.132 7.066 1.00 0.00 C ATOM 1094 CG LYS A 70 -18.070 -5.304 6.407 1.00 0.00 C ATOM 1095 CD LYS A 70 -17.836 -6.602 7.167 1.00 0.00 C ATOM 1096 CE LYS A 70 -18.383 -6.514 8.583 1.00 0.00 C ATOM 1097 NZ LYS A 70 -18.234 -7.786 9.325 1.00 0.00 N ATOM 0 H LYS A 70 -16.292 -3.298 4.898 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.723 -2.637 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.281 -4.314 7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.646 -4.085 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -19.139 -5.098 6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.720 -5.414 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.315 -7.427 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.769 -6.821 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.865 -5.720 9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.437 -6.239 8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.621 -7.676 10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.749 -8.540 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.227 -8.037 9.385 1.00 0.00 H new ATOM 1111 N ILE A 71 -16.300 -0.763 6.628 1.00 0.00 N ATOM 1112 CA ILE A 71 -15.709 0.361 7.328 1.00 0.00 C ATOM 1113 C ILE A 71 -16.592 1.571 7.185 1.00 0.00 C ATOM 1114 O ILE A 71 -17.058 1.885 6.090 1.00 0.00 O ATOM 1115 CB ILE A 71 -14.292 0.704 6.806 1.00 0.00 C ATOM 1116 CG1 ILE A 71 -13.328 -0.449 7.074 1.00 0.00 C ATOM 1117 CG2 ILE A 71 -13.771 1.995 7.437 1.00 0.00 C ATOM 1118 CD1 ILE A 71 -11.915 -0.173 6.616 1.00 0.00 C ATOM 0 H ILE A 71 -16.080 -0.804 5.633 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.618 0.074 8.376 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.359 0.858 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.320 -0.664 8.143 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.696 -1.344 6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.774 2.212 7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.442 2.818 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.725 1.878 8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.286 -1.035 6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.910 0.012 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.528 0.703 7.137 1.00 0.00 H new ATOM 1130 N HIS A 72 -16.832 2.241 8.285 1.00 0.00 N ATOM 1131 CA HIS A 72 -17.652 3.437 8.299 1.00 0.00 C ATOM 1132 C HIS A 72 -16.961 4.552 7.522 1.00 0.00 C ATOM 1133 O HIS A 72 -15.750 4.748 7.664 1.00 0.00 O ATOM 1134 CB HIS A 72 -17.900 3.896 9.744 1.00 0.00 C ATOM 1135 CG HIS A 72 -18.650 2.914 10.602 1.00 0.00 C ATOM 1136 ND1 HIS A 72 -18.258 1.606 10.773 1.00 0.00 N ATOM 1137 CD2 HIS A 72 -19.759 3.066 11.360 1.00 0.00 C ATOM 1138 CE1 HIS A 72 -19.090 0.999 11.595 1.00 0.00 C ATOM 1139 NE2 HIS A 72 -20.009 1.861 11.970 1.00 0.00 N ATOM 0 H HIS A 72 -16.466 1.976 9.199 1.00 0.00 H new ATOM 0 HA HIS A 72 -18.608 3.208 7.829 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -16.939 4.105 10.213 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -18.455 4.834 9.721 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -20.342 3.969 11.466 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -19.027 -0.033 11.908 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -20.780 1.667 12.609 1.00 0.00 H new ATOM 1147 N PRO A 73 -17.727 5.284 6.696 1.00 0.00 N ATOM 1148 CA PRO A 73 -17.226 6.378 5.858 1.00 0.00 C ATOM 1149 C PRO A 73 -16.101 7.220 6.489 1.00 0.00 C ATOM 1150 O PRO A 73 -15.011 7.316 5.923 1.00 0.00 O ATOM 1151 CB PRO A 73 -18.471 7.227 5.649 1.00 0.00 C ATOM 1152 CG PRO A 73 -19.590 6.241 5.608 1.00 0.00 C ATOM 1153 CD PRO A 73 -19.177 5.078 6.487 1.00 0.00 C ATOM 0 HA PRO A 73 -16.763 5.992 4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.603 7.945 6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.411 7.799 4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.515 6.690 5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.775 5.908 4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.720 5.079 7.432 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.379 4.122 6.004 1.00 0.00 H new ATOM 1161 N SER A 74 -16.346 7.807 7.664 1.00 0.00 N ATOM 1162 CA SER A 74 -15.375 8.709 8.288 1.00 0.00 C ATOM 1163 C SER A 74 -14.187 7.982 8.938 1.00 0.00 C ATOM 1164 O SER A 74 -13.227 8.623 9.358 1.00 0.00 O ATOM 1165 CB SER A 74 -16.082 9.571 9.330 1.00 0.00 C ATOM 1166 OG SER A 74 -17.207 10.227 8.766 1.00 0.00 O ATOM 0 H SER A 74 -17.204 7.675 8.200 1.00 0.00 H new ATOM 0 HA SER A 74 -14.960 9.324 7.490 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.400 8.949 10.167 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.387 10.310 9.728 1.00 0.00 H new ATOM 0 HG SER A 74 -17.646 10.772 9.452 1.00 0.00 H new ATOM 1172 N TYR A 75 -14.248 6.666 9.030 1.00 0.00 N ATOM 1173 CA TYR A 75 -13.160 5.903 9.645 1.00 0.00 C ATOM 1174 C TYR A 75 -12.131 5.503 8.615 1.00 0.00 C ATOM 1175 O TYR A 75 -10.997 5.163 8.950 1.00 0.00 O ATOM 1176 CB TYR A 75 -13.690 4.674 10.368 1.00 0.00 C ATOM 1177 CG TYR A 75 -14.334 4.988 11.691 1.00 0.00 C ATOM 1178 CD1 TYR A 75 -15.604 5.536 11.754 1.00 0.00 C ATOM 1179 CD2 TYR A 75 -13.668 4.733 12.879 1.00 0.00 C ATOM 1180 CE1 TYR A 75 -16.197 5.820 12.970 1.00 0.00 C ATOM 1181 CE2 TYR A 75 -14.248 5.014 14.096 1.00 0.00 C ATOM 1182 CZ TYR A 75 -15.513 5.557 14.139 1.00 0.00 C ATOM 1183 OH TYR A 75 -16.096 5.835 15.355 1.00 0.00 O ATOM 0 H TYR A 75 -15.028 6.102 8.693 1.00 0.00 H new ATOM 0 HA TYR A 75 -12.680 6.549 10.380 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -14.416 4.171 9.729 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -12.869 3.975 10.529 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -16.139 5.745 10.839 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -12.676 4.306 12.850 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -17.189 6.245 13.005 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -13.714 4.810 15.012 1.00 0.00 H new ATOM 0 HH TYR A 75 -15.480 5.589 16.077 1.00 0.00 H new ATOM 1193 N CYS A 76 -12.541 5.536 7.369 1.00 0.00 N ATOM 1194 CA CYS A 76 -11.660 5.225 6.261 1.00 0.00 C ATOM 1195 C CYS A 76 -10.494 6.210 6.214 1.00 0.00 C ATOM 1196 O CYS A 76 -9.344 5.815 6.057 1.00 0.00 O ATOM 1197 CB CYS A 76 -12.437 5.248 4.944 1.00 0.00 C ATOM 1198 SG CYS A 76 -11.467 4.784 3.495 1.00 0.00 S ATOM 0 H CYS A 76 -13.492 5.778 7.092 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.256 4.223 6.407 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.288 4.572 5.027 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.839 6.250 4.791 1.00 0.00 H new ATOM 0 HG CYS A 76 -11.787 5.550 2.495 1.00 0.00 H new ATOM 1204 N GLY A 77 -10.817 7.486 6.356 1.00 0.00 N ATOM 1205 CA GLY A 77 -9.814 8.550 6.363 1.00 0.00 C ATOM 1206 C GLY A 77 -8.639 8.269 7.285 1.00 0.00 C ATOM 1207 O GLY A 77 -7.509 8.135 6.813 1.00 0.00 O ATOM 0 H GLY A 77 -11.775 7.816 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.443 8.695 5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.288 9.484 6.666 1.00 0.00 H new ATOM 1211 N PRO A 78 -8.865 8.203 8.619 1.00 0.00 N ATOM 1212 CA PRO A 78 -7.815 7.869 9.573 1.00 0.00 C ATOM 1213 C PRO A 78 -7.103 6.574 9.189 1.00 0.00 C ATOM 1214 O PRO A 78 -5.881 6.525 9.179 1.00 0.00 O ATOM 1215 CB PRO A 78 -8.555 7.710 10.916 1.00 0.00 C ATOM 1216 CG PRO A 78 -10.011 7.744 10.583 1.00 0.00 C ATOM 1217 CD PRO A 78 -10.133 8.489 9.287 1.00 0.00 C ATOM 0 HA PRO A 78 -7.038 8.633 9.610 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.287 6.772 11.402 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.292 8.513 11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.411 6.735 10.490 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.578 8.240 11.371 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.984 8.142 8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.271 9.558 9.448 1.00 0.00 H new ATOM 1225 N ALA A 79 -7.886 5.514 8.915 1.00 0.00 N ATOM 1226 CA ALA A 79 -7.329 4.232 8.456 1.00 0.00 C ATOM 1227 C ALA A 79 -6.301 4.438 7.357 1.00 0.00 C ATOM 1228 O ALA A 79 -5.219 3.843 7.379 1.00 0.00 O ATOM 1229 CB ALA A 79 -8.441 3.309 7.974 1.00 0.00 C ATOM 0 H ALA A 79 -8.902 5.522 9.004 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.827 3.765 9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.011 2.365 7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.137 3.120 8.791 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.972 3.780 7.147 1.00 0.00 H new ATOM 1235 N ILE A 80 -6.634 5.294 6.417 1.00 0.00 N ATOM 1236 CA ILE A 80 -5.752 5.610 5.322 1.00 0.00 C ATOM 1237 C ILE A 80 -4.531 6.386 5.799 1.00 0.00 C ATOM 1238 O ILE A 80 -3.389 6.045 5.468 1.00 0.00 O ATOM 1239 CB ILE A 80 -6.502 6.399 4.237 1.00 0.00 C ATOM 1240 CG1 ILE A 80 -7.437 5.464 3.483 1.00 0.00 C ATOM 1241 CG2 ILE A 80 -5.538 7.091 3.290 1.00 0.00 C ATOM 1242 CD1 ILE A 80 -8.336 6.166 2.509 1.00 0.00 C ATOM 0 H ILE A 80 -7.525 5.790 6.392 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.403 4.671 4.893 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.093 7.179 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.842 4.725 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.049 4.920 4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.101 7.640 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.912 7.784 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.909 6.346 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.973 5.436 2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.958 6.886 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.732 6.688 1.767 1.00 0.00 H new ATOM 1254 N LEU A 81 -4.785 7.418 6.575 1.00 0.00 N ATOM 1255 CA LEU A 81 -3.727 8.245 7.150 1.00 0.00 C ATOM 1256 C LEU A 81 -2.725 7.374 7.904 1.00 0.00 C ATOM 1257 O LEU A 81 -1.515 7.565 7.801 1.00 0.00 O ATOM 1258 CB LEU A 81 -4.332 9.298 8.091 1.00 0.00 C ATOM 1259 CG LEU A 81 -3.335 10.229 8.790 1.00 0.00 C ATOM 1260 CD1 LEU A 81 -2.565 11.059 7.775 1.00 0.00 C ATOM 1261 CD2 LEU A 81 -4.055 11.129 9.784 1.00 0.00 C ATOM 0 H LEU A 81 -5.728 7.713 6.829 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.204 8.756 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.029 9.910 7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.913 8.782 8.855 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.619 9.614 9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.864 11.712 8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.016 10.397 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.262 11.664 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.333 11.784 10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.795 11.733 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.554 10.516 10.535 1.00 0.00 H new ATOM 1273 N ARG A 82 -3.247 6.402 8.635 1.00 0.00 N ATOM 1274 CA ARG A 82 -2.438 5.467 9.383 1.00 0.00 C ATOM 1275 C ARG A 82 -1.602 4.622 8.443 1.00 0.00 C ATOM 1276 O ARG A 82 -0.398 4.509 8.618 1.00 0.00 O ATOM 1277 CB ARG A 82 -3.326 4.557 10.244 1.00 0.00 C ATOM 1278 CG ARG A 82 -3.948 5.238 11.461 1.00 0.00 C ATOM 1279 CD ARG A 82 -3.011 5.214 12.667 1.00 0.00 C ATOM 1280 NE ARG A 82 -1.777 5.967 12.440 1.00 0.00 N ATOM 1281 CZ ARG A 82 -0.604 5.683 13.014 1.00 0.00 C ATOM 1282 NH1 ARG A 82 -0.505 4.678 13.881 1.00 0.00 N ATOM 1283 NH2 ARG A 82 0.464 6.414 12.736 1.00 0.00 N ATOM 0 H ARG A 82 -4.251 6.243 8.723 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.775 6.036 10.035 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.126 4.157 9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.732 3.709 10.584 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.194 6.270 11.213 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.883 4.740 11.718 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.529 5.627 13.533 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.762 4.180 12.908 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.815 6.761 11.801 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.327 4.120 14.111 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.393 4.466 14.316 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.392 7.195 12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.359 6.197 13.174 1.00 0.00 H new ATOM 1297 N PHE A 83 -2.248 4.051 7.427 1.00 0.00 N ATOM 1298 CA PHE A 83 -1.562 3.178 6.481 1.00 0.00 C ATOM 1299 C PHE A 83 -0.400 3.883 5.797 1.00 0.00 C ATOM 1300 O PHE A 83 0.738 3.406 5.830 1.00 0.00 O ATOM 1301 CB PHE A 83 -2.520 2.633 5.407 1.00 0.00 C ATOM 1302 CG PHE A 83 -1.837 1.660 4.505 1.00 0.00 C ATOM 1303 CD1 PHE A 83 -1.343 0.477 5.013 1.00 0.00 C ATOM 1304 CD2 PHE A 83 -1.656 1.939 3.162 1.00 0.00 C ATOM 1305 CE1 PHE A 83 -0.683 -0.412 4.205 1.00 0.00 C ATOM 1306 CE2 PHE A 83 -0.999 1.045 2.345 1.00 0.00 C ATOM 1307 CZ PHE A 83 -0.510 -0.131 2.874 1.00 0.00 C ATOM 0 H PHE A 83 -3.243 4.178 7.240 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.175 2.345 7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.370 2.149 5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.916 3.460 4.818 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.478 0.248 6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.032 2.864 2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.299 -1.334 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.868 1.264 1.296 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.010 -0.832 2.239 1.00 0.00 H new ATOM 1317 N ARG A 84 -0.688 5.019 5.203 1.00 0.00 N ATOM 1318 CA ARG A 84 0.299 5.751 4.438 1.00 0.00 C ATOM 1319 C ARG A 84 1.433 6.237 5.324 1.00 0.00 C ATOM 1320 O ARG A 84 2.602 6.185 4.936 1.00 0.00 O ATOM 1321 CB ARG A 84 -0.354 6.926 3.729 1.00 0.00 C ATOM 1322 CG ARG A 84 0.477 7.509 2.602 1.00 0.00 C ATOM 1323 CD ARG A 84 -0.239 8.672 1.945 1.00 0.00 C ATOM 1324 NE ARG A 84 -1.624 8.338 1.600 1.00 0.00 N ATOM 1325 CZ ARG A 84 -2.575 9.238 1.336 1.00 0.00 C ATOM 1326 NH1 ARG A 84 -2.286 10.536 1.311 1.00 0.00 N ATOM 1327 NH2 ARG A 84 -3.807 8.836 1.083 1.00 0.00 N ATOM 0 H ARG A 84 -1.607 5.460 5.235 1.00 0.00 H new ATOM 0 HA ARG A 84 0.720 5.074 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.316 6.606 3.329 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.557 7.710 4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.440 7.842 2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.682 6.737 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.229 9.530 2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.299 8.967 1.044 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.879 7.351 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.333 10.850 1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.017 11.218 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.030 7.841 1.090 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.536 9.521 0.881 1.00 0.00 H new ATOM 1341 N GLN A 85 1.090 6.691 6.517 1.00 0.00 N ATOM 1342 CA GLN A 85 2.085 7.193 7.441 1.00 0.00 C ATOM 1343 C GLN A 85 2.943 6.053 7.966 1.00 0.00 C ATOM 1344 O GLN A 85 4.134 6.225 8.202 1.00 0.00 O ATOM 1345 CB GLN A 85 1.419 7.924 8.605 1.00 0.00 C ATOM 1346 CG GLN A 85 2.349 8.863 9.357 1.00 0.00 C ATOM 1347 CD GLN A 85 1.691 9.467 10.578 1.00 0.00 C ATOM 1348 OE1 GLN A 85 1.022 10.497 10.493 1.00 0.00 O ATOM 1349 NE2 GLN A 85 1.888 8.846 11.720 1.00 0.00 N ATOM 0 H GLN A 85 0.132 6.721 6.866 1.00 0.00 H new ATOM 0 HA GLN A 85 2.722 7.897 6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.572 8.495 8.225 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.020 7.188 9.303 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.243 8.319 9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.673 9.661 8.689 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.449 7.995 11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.480 9.216 12.579 1.00 0.00 H new ATOM 1358 N LEU A 86 2.342 4.873 8.112 1.00 0.00 N ATOM 1359 CA LEU A 86 3.073 3.726 8.637 1.00 0.00 C ATOM 1360 C LEU A 86 4.011 3.171 7.600 1.00 0.00 C ATOM 1361 O LEU A 86 5.153 2.855 7.896 1.00 0.00 O ATOM 1362 CB LEU A 86 2.125 2.635 9.140 1.00 0.00 C ATOM 1363 CG LEU A 86 1.389 2.948 10.442 1.00 0.00 C ATOM 1364 CD1 LEU A 86 0.404 1.841 10.779 1.00 0.00 C ATOM 1365 CD2 LEU A 86 2.376 3.149 11.582 1.00 0.00 C ATOM 0 H LEU A 86 1.366 4.689 7.878 1.00 0.00 H new ATOM 0 HA LEU A 86 3.660 4.074 9.487 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.385 2.436 8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.697 1.717 9.278 1.00 0.00 H new ATOM 0 HG LEU A 86 0.831 3.874 10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.110 2.082 11.709 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.326 1.746 9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.941 0.899 10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.832 3.371 12.500 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.963 2.241 11.719 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.041 3.979 11.345 1.00 0.00 H new ATOM 1377 N LEU A 87 3.537 3.077 6.377 1.00 0.00 N ATOM 1378 CA LEU A 87 4.352 2.575 5.289 1.00 0.00 C ATOM 1379 C LEU A 87 5.581 3.439 5.101 1.00 0.00 C ATOM 1380 O LEU A 87 6.671 2.948 4.845 1.00 0.00 O ATOM 1381 CB LEU A 87 3.538 2.511 4.001 1.00 0.00 C ATOM 1382 CG LEU A 87 4.327 2.161 2.747 1.00 0.00 C ATOM 1383 CD1 LEU A 87 3.519 1.248 1.863 1.00 0.00 C ATOM 1384 CD2 LEU A 87 4.716 3.423 1.986 1.00 0.00 C ATOM 0 H LEU A 87 2.589 3.342 6.109 1.00 0.00 H new ATOM 0 HA LEU A 87 4.680 1.566 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.745 1.774 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.055 3.476 3.848 1.00 0.00 H new ATOM 0 HG LEU A 87 5.240 1.646 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.094 1.005 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.284 0.331 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.593 1.746 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.279 3.151 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.816 3.965 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.332 4.057 2.624 1.00 0.00 H new ATOM 1396 N ALA A 88 5.389 4.715 5.248 1.00 0.00 N ATOM 1397 CA ALA A 88 6.456 5.679 5.093 1.00 0.00 C ATOM 1398 C ALA A 88 7.379 5.640 6.288 1.00 0.00 C ATOM 1399 O ALA A 88 8.573 5.935 6.187 1.00 0.00 O ATOM 1400 CB ALA A 88 5.886 7.075 4.901 1.00 0.00 C ATOM 0 H ALA A 88 4.485 5.127 5.480 1.00 0.00 H new ATOM 0 HA ALA A 88 7.033 5.419 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.702 7.789 4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.260 7.093 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.287 7.346 5.770 1.00 0.00 H new ATOM 1406 N GLU A 89 6.823 5.262 7.406 1.00 0.00 N ATOM 1407 CA GLU A 89 7.558 5.165 8.643 1.00 0.00 C ATOM 1408 C GLU A 89 8.406 3.902 8.649 1.00 0.00 C ATOM 1409 O GLU A 89 9.548 3.904 9.098 1.00 0.00 O ATOM 1410 CB GLU A 89 6.580 5.147 9.814 1.00 0.00 C ATOM 1411 CG GLU A 89 7.215 5.406 11.157 1.00 0.00 C ATOM 1412 CD GLU A 89 7.728 6.817 11.279 1.00 0.00 C ATOM 1413 OE1 GLU A 89 6.900 7.741 11.392 1.00 0.00 O ATOM 1414 OE2 GLU A 89 8.961 7.015 11.264 1.00 0.00 O ATOM 0 H GLU A 89 5.838 5.010 7.488 1.00 0.00 H new ATOM 0 HA GLU A 89 8.218 6.027 8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.808 5.897 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.082 4.178 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.486 5.217 11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.038 4.707 11.309 1.00 0.00 H new ATOM 1421 N GLN A 90 7.838 2.832 8.135 1.00 0.00 N ATOM 1422 CA GLN A 90 8.533 1.546 8.067 1.00 0.00 C ATOM 1423 C GLN A 90 9.343 1.421 6.782 1.00 0.00 C ATOM 1424 O GLN A 90 10.053 0.434 6.589 1.00 0.00 O ATOM 1425 CB GLN A 90 7.554 0.362 8.184 1.00 0.00 C ATOM 1426 CG GLN A 90 7.108 0.039 9.610 1.00 0.00 C ATOM 1427 CD GLN A 90 6.072 1.002 10.155 1.00 0.00 C ATOM 1428 OE1 GLN A 90 4.872 0.781 10.026 1.00 0.00 O ATOM 1429 NE2 GLN A 90 6.526 2.074 10.761 1.00 0.00 N ATOM 0 H GLN A 90 6.892 2.819 7.754 1.00 0.00 H new ATOM 0 HA GLN A 90 9.215 1.513 8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.671 0.578 7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.024 -0.523 7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.701 -0.972 9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.979 0.047 10.265 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.531 2.223 10.849 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.874 2.758 11.144 1.00 0.00 H new ATOM 1438 N GLU A 91 9.220 2.429 5.912 1.00 0.00 N ATOM 1439 CA GLU A 91 9.923 2.476 4.616 1.00 0.00 C ATOM 1440 C GLU A 91 9.285 1.522 3.600 1.00 0.00 C ATOM 1441 O GLU A 91 8.776 0.457 3.962 1.00 0.00 O ATOM 1442 CB GLU A 91 11.427 2.180 4.762 1.00 0.00 C ATOM 1443 CG GLU A 91 12.188 3.210 5.578 1.00 0.00 C ATOM 1444 CD GLU A 91 13.664 2.896 5.665 1.00 0.00 C ATOM 1445 OE1 GLU A 91 14.417 3.294 4.748 1.00 0.00 O ATOM 1446 OE2 GLU A 91 14.084 2.242 6.643 1.00 0.00 O ATOM 0 H GLU A 91 8.628 3.242 6.084 1.00 0.00 H new ATOM 0 HA GLU A 91 9.822 3.495 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.550 1.202 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.872 2.119 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.054 4.195 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.769 3.256 6.583 1.00 0.00 H new ATOM 1453 N PRO A 92 9.290 1.908 2.313 1.00 0.00 N ATOM 1454 CA PRO A 92 8.703 1.105 1.237 1.00 0.00 C ATOM 1455 C PRO A 92 9.267 -0.325 1.160 1.00 0.00 C ATOM 1456 O PRO A 92 10.462 -0.557 1.349 1.00 0.00 O ATOM 1457 CB PRO A 92 9.044 1.891 -0.044 1.00 0.00 C ATOM 1458 CG PRO A 92 10.090 2.876 0.361 1.00 0.00 C ATOM 1459 CD PRO A 92 9.850 3.169 1.808 1.00 0.00 C ATOM 0 HA PRO A 92 7.634 0.966 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.412 1.227 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.163 2.395 -0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 92 11.089 2.468 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.021 3.785 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.772 3.436 2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.158 4.000 1.942 1.00 0.00 H new ATOM 1467 N GLU A 93 8.378 -1.259 0.864 1.00 0.00 N ATOM 1468 CA GLU A 93 8.690 -2.669 0.727 1.00 0.00 C ATOM 1469 C GLU A 93 7.432 -3.372 0.287 1.00 0.00 C ATOM 1470 O GLU A 93 6.498 -3.473 1.036 1.00 0.00 O ATOM 1471 CB GLU A 93 9.206 -3.281 2.042 1.00 0.00 C ATOM 1472 CG GLU A 93 9.461 -4.765 1.961 1.00 0.00 C ATOM 1473 CD GLU A 93 9.921 -5.365 3.268 1.00 0.00 C ATOM 1474 OE1 GLU A 93 9.091 -5.973 3.965 1.00 0.00 O ATOM 1475 OE2 GLU A 93 11.120 -5.251 3.591 1.00 0.00 O ATOM 0 H GLU A 93 7.392 -1.049 0.708 1.00 0.00 H new ATOM 0 HA GLU A 93 9.488 -2.789 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.129 -2.778 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.480 -3.089 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.548 -5.266 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.214 -4.956 1.197 1.00 0.00 H new ATOM 1482 N VAL A 94 7.417 -3.801 -0.947 1.00 0.00 N ATOM 1483 CA VAL A 94 6.245 -4.439 -1.560 1.00 0.00 C ATOM 1484 C VAL A 94 5.674 -5.567 -0.698 1.00 0.00 C ATOM 1485 O VAL A 94 4.461 -5.745 -0.611 1.00 0.00 O ATOM 1486 CB VAL A 94 6.576 -4.948 -2.982 1.00 0.00 C ATOM 1487 CG1 VAL A 94 7.454 -6.195 -2.960 1.00 0.00 C ATOM 1488 CG2 VAL A 94 5.314 -5.161 -3.794 1.00 0.00 C ATOM 0 H VAL A 94 8.217 -3.724 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 94 5.472 -3.674 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 94 7.159 -4.170 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.659 -6.514 -3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.393 -5.970 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.938 -6.994 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.578 -5.519 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.683 -5.899 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.773 -4.219 -3.879 1.00 0.00 H new ATOM 1498 N GLN A 95 6.552 -6.285 -0.046 1.00 0.00 N ATOM 1499 CA GLN A 95 6.155 -7.371 0.841 1.00 0.00 C ATOM 1500 C GLN A 95 5.507 -6.806 2.104 1.00 0.00 C ATOM 1501 O GLN A 95 4.566 -7.386 2.656 1.00 0.00 O ATOM 1502 CB GLN A 95 7.369 -8.230 1.201 1.00 0.00 C ATOM 1503 CG GLN A 95 8.059 -8.842 -0.009 1.00 0.00 C ATOM 1504 CD GLN A 95 9.505 -8.390 -0.176 1.00 0.00 C ATOM 1505 OE1 GLN A 95 10.332 -9.118 -0.723 1.00 0.00 O ATOM 1506 NE2 GLN A 95 9.825 -7.193 0.300 1.00 0.00 N ATOM 0 H GLN A 95 7.560 -6.142 -0.108 1.00 0.00 H new ATOM 0 HA GLN A 95 5.427 -7.999 0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.087 -7.619 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.053 -9.029 1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.034 -9.928 0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.499 -8.582 -0.907 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.114 -6.615 0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.782 -6.851 0.218 1.00 0.00 H new ATOM 1515 N GLU A 96 5.989 -5.644 2.520 1.00 0.00 N ATOM 1516 CA GLU A 96 5.493 -4.980 3.700 1.00 0.00 C ATOM 1517 C GLU A 96 4.201 -4.288 3.367 1.00 0.00 C ATOM 1518 O GLU A 96 3.298 -4.247 4.167 1.00 0.00 O ATOM 1519 CB GLU A 96 6.516 -3.953 4.200 1.00 0.00 C ATOM 1520 CG GLU A 96 6.170 -3.317 5.536 1.00 0.00 C ATOM 1521 CD GLU A 96 6.282 -4.289 6.681 1.00 0.00 C ATOM 1522 OE1 GLU A 96 5.304 -5.009 6.954 1.00 0.00 O ATOM 1523 OE2 GLU A 96 7.359 -4.350 7.310 1.00 0.00 O ATOM 0 H GLU A 96 6.736 -5.140 2.043 1.00 0.00 H new ATOM 0 HA GLU A 96 5.326 -5.717 4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.488 -4.439 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.617 -3.166 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.833 -2.471 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.155 -2.923 5.496 1.00 0.00 H new ATOM 1530 N VAL A 97 4.127 -3.759 2.157 1.00 0.00 N ATOM 1531 CA VAL A 97 2.950 -3.052 1.696 1.00 0.00 C ATOM 1532 C VAL A 97 1.729 -3.932 1.826 1.00 0.00 C ATOM 1533 O VAL A 97 0.758 -3.569 2.469 1.00 0.00 O ATOM 1534 CB VAL A 97 3.081 -2.590 0.218 1.00 0.00 C ATOM 1535 CG1 VAL A 97 1.813 -1.882 -0.246 1.00 0.00 C ATOM 1536 CG2 VAL A 97 4.280 -1.682 0.040 1.00 0.00 C ATOM 0 H VAL A 97 4.880 -3.809 1.471 1.00 0.00 H new ATOM 0 HA VAL A 97 2.848 -2.166 2.322 1.00 0.00 H new ATOM 0 HB VAL A 97 3.225 -3.479 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.930 -1.569 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.966 -2.563 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.635 -1.007 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.350 -1.372 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.167 -0.802 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.187 -2.217 0.321 1.00 0.00 H new ATOM 1546 N SER A 98 1.803 -5.100 1.229 1.00 0.00 N ATOM 1547 CA SER A 98 0.701 -6.031 1.242 1.00 0.00 C ATOM 1548 C SER A 98 0.393 -6.522 2.658 1.00 0.00 C ATOM 1549 O SER A 98 -0.767 -6.609 3.065 1.00 0.00 O ATOM 1550 CB SER A 98 0.998 -7.207 0.312 1.00 0.00 C ATOM 1551 OG SER A 98 1.336 -6.746 -0.988 1.00 0.00 O ATOM 0 H SER A 98 2.625 -5.429 0.723 1.00 0.00 H new ATOM 0 HA SER A 98 -0.186 -5.510 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.818 -7.800 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.128 -7.862 0.256 1.00 0.00 H new ATOM 0 HG SER A 98 2.270 -6.448 -0.997 1.00 0.00 H new ATOM 1557 N GLN A 99 1.436 -6.798 3.400 1.00 0.00 N ATOM 1558 CA GLN A 99 1.313 -7.311 4.757 1.00 0.00 C ATOM 1559 C GLN A 99 0.733 -6.249 5.681 1.00 0.00 C ATOM 1560 O GLN A 99 -0.140 -6.534 6.495 1.00 0.00 O ATOM 1561 CB GLN A 99 2.694 -7.803 5.249 1.00 0.00 C ATOM 1562 CG GLN A 99 2.686 -8.574 6.573 1.00 0.00 C ATOM 1563 CD GLN A 99 2.557 -7.684 7.797 1.00 0.00 C ATOM 1564 OE1 GLN A 99 1.992 -8.086 8.808 1.00 0.00 O ATOM 1565 NE2 GLN A 99 3.090 -6.480 7.721 1.00 0.00 N ATOM 0 H GLN A 99 2.399 -6.676 3.087 1.00 0.00 H new ATOM 0 HA GLN A 99 0.624 -8.156 4.765 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.128 -8.441 4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.351 -6.940 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.861 -9.286 6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.606 -9.153 6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.552 -6.180 6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.040 -5.849 8.521 1.00 0.00 H new ATOM 1574 N LEU A 100 1.187 -5.028 5.514 1.00 0.00 N ATOM 1575 CA LEU A 100 0.754 -3.919 6.334 1.00 0.00 C ATOM 1576 C LEU A 100 -0.634 -3.525 5.935 1.00 0.00 C ATOM 1577 O LEU A 100 -1.440 -3.104 6.766 1.00 0.00 O ATOM 1578 CB LEU A 100 1.715 -2.729 6.183 1.00 0.00 C ATOM 1579 CG LEU A 100 1.354 -1.462 6.962 1.00 0.00 C ATOM 1580 CD1 LEU A 100 1.336 -1.735 8.452 1.00 0.00 C ATOM 1581 CD2 LEU A 100 2.331 -0.344 6.635 1.00 0.00 C ATOM 0 H LEU A 100 1.871 -4.774 4.801 1.00 0.00 H new ATOM 0 HA LEU A 100 0.757 -4.223 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.709 -3.050 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.779 -2.473 5.125 1.00 0.00 H new ATOM 0 HG LEU A 100 0.354 -1.147 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.077 -0.821 8.986 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.597 -2.505 8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.321 -2.075 8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.061 0.551 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.341 -0.652 6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.292 -0.128 5.567 1.00 0.00 H new ATOM 1593 N PHE A 101 -0.926 -3.705 4.663 1.00 0.00 N ATOM 1594 CA PHE A 101 -2.228 -3.376 4.147 1.00 0.00 C ATOM 1595 C PHE A 101 -3.263 -4.306 4.733 1.00 0.00 C ATOM 1596 O PHE A 101 -4.348 -3.885 5.125 1.00 0.00 O ATOM 1597 CB PHE A 101 -2.254 -3.449 2.631 1.00 0.00 C ATOM 1598 CG PHE A 101 -3.520 -2.914 2.032 1.00 0.00 C ATOM 1599 CD1 PHE A 101 -3.839 -1.570 2.148 1.00 0.00 C ATOM 1600 CD2 PHE A 101 -4.382 -3.748 1.352 1.00 0.00 C ATOM 1601 CE1 PHE A 101 -5.001 -1.067 1.592 1.00 0.00 C ATOM 1602 CE2 PHE A 101 -5.548 -3.256 0.792 1.00 0.00 C ATOM 1603 CZ PHE A 101 -5.857 -1.912 0.911 1.00 0.00 C ATOM 0 H PHE A 101 -0.275 -4.078 3.972 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.460 -2.351 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.407 -2.890 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.124 -4.486 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.172 -0.907 2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.145 -4.797 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.239 -0.018 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.216 -3.920 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.765 -1.524 0.473 1.00 0.00 H new ATOM 1613 N ARG A 102 -2.907 -5.571 4.839 1.00 0.00 N ATOM 1614 CA ARG A 102 -3.804 -6.545 5.399 1.00 0.00 C ATOM 1615 C ARG A 102 -3.858 -6.351 6.899 1.00 0.00 C ATOM 1616 O ARG A 102 -4.907 -6.484 7.509 1.00 0.00 O ATOM 1617 CB ARG A 102 -3.337 -7.969 5.069 1.00 0.00 C ATOM 1618 CG ARG A 102 -4.252 -9.071 5.608 1.00 0.00 C ATOM 1619 CD ARG A 102 -5.536 -9.194 4.799 1.00 0.00 C ATOM 1620 NE ARG A 102 -6.472 -10.155 5.401 1.00 0.00 N ATOM 1621 CZ ARG A 102 -7.070 -11.160 4.742 1.00 0.00 C ATOM 1622 NH1 ARG A 102 -6.820 -11.371 3.454 1.00 0.00 N ATOM 1623 NH2 ARG A 102 -7.919 -11.960 5.382 1.00 0.00 N ATOM 0 H ARG A 102 -2.004 -5.941 4.544 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.796 -6.409 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.261 -8.073 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.335 -8.114 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.721 -10.023 5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.498 -8.861 6.649 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.015 -8.217 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.297 -9.508 3.783 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.683 -10.050 6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.168 -10.766 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.281 -12.138 2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.114 -11.809 6.372 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.374 -12.724 4.883 1.00 0.00 H new ATOM 1637 N SER A 103 -2.714 -5.988 7.481 1.00 0.00 N ATOM 1638 CA SER A 103 -2.619 -5.792 8.922 1.00 0.00 C ATOM 1639 C SER A 103 -3.566 -4.709 9.406 1.00 0.00 C ATOM 1640 O SER A 103 -4.439 -4.971 10.236 1.00 0.00 O ATOM 1641 CB SER A 103 -1.186 -5.464 9.336 1.00 0.00 C ATOM 1642 OG SER A 103 -0.332 -6.565 9.107 1.00 0.00 O ATOM 0 H SER A 103 -1.844 -5.825 6.975 1.00 0.00 H new ATOM 0 HA SER A 103 -2.913 -6.730 9.393 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.830 -4.599 8.776 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.161 -5.192 10.391 1.00 0.00 H new ATOM 0 HG SER A 103 -0.318 -6.775 8.150 1.00 0.00 H new ATOM 1648 N VAL A 104 -3.395 -3.498 8.893 1.00 0.00 N ATOM 1649 CA VAL A 104 -4.246 -2.368 9.262 1.00 0.00 C ATOM 1650 C VAL A 104 -5.710 -2.669 9.020 1.00 0.00 C ATOM 1651 O VAL A 104 -6.561 -2.372 9.856 1.00 0.00 O ATOM 1652 CB VAL A 104 -3.846 -1.076 8.498 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -4.753 0.090 8.877 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -2.390 -0.722 8.770 1.00 0.00 C ATOM 0 H VAL A 104 -2.669 -3.269 8.214 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.096 -2.203 10.329 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.966 -1.268 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.450 0.981 8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.785 -0.156 8.628 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.673 0.280 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.129 0.186 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.249 -0.558 9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.749 -1.540 8.440 1.00 0.00 H new ATOM 1664 N LEU A 105 -6.003 -3.264 7.892 1.00 0.00 N ATOM 1665 CA LEU A 105 -7.373 -3.610 7.561 1.00 0.00 C ATOM 1666 C LEU A 105 -7.958 -4.639 8.526 1.00 0.00 C ATOM 1667 O LEU A 105 -9.140 -4.598 8.824 1.00 0.00 O ATOM 1668 CB LEU A 105 -7.494 -4.076 6.118 1.00 0.00 C ATOM 1669 CG LEU A 105 -7.780 -2.970 5.076 1.00 0.00 C ATOM 1670 CD1 LEU A 105 -9.145 -2.348 5.312 1.00 0.00 C ATOM 1671 CD2 LEU A 105 -6.700 -1.896 5.098 1.00 0.00 C ATOM 0 H LEU A 105 -5.316 -3.521 7.184 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.963 -2.700 7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.569 -4.580 5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.291 -4.818 6.061 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.774 -3.436 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.325 -1.573 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.914 -3.116 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.177 -1.908 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.930 -1.133 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.662 -1.439 6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.734 -2.346 4.869 1.00 0.00 H new ATOM 1683 N GLN A 106 -7.133 -5.547 9.035 1.00 0.00 N ATOM 1684 CA GLN A 106 -7.626 -6.517 10.014 1.00 0.00 C ATOM 1685 C GLN A 106 -7.753 -5.838 11.363 1.00 0.00 C ATOM 1686 O GLN A 106 -8.608 -6.184 12.181 1.00 0.00 O ATOM 1687 CB GLN A 106 -6.705 -7.738 10.123 1.00 0.00 C ATOM 1688 CG GLN A 106 -6.545 -8.526 8.831 1.00 0.00 C ATOM 1689 CD GLN A 106 -7.860 -9.021 8.262 1.00 0.00 C ATOM 1690 OE1 GLN A 106 -8.313 -10.115 8.580 1.00 0.00 O ATOM 1691 NE2 GLN A 106 -8.470 -8.227 7.401 1.00 0.00 N ATOM 0 H GLN A 106 -6.145 -5.635 8.796 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.600 -6.876 9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.721 -7.407 10.456 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.095 -8.403 10.894 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.050 -7.898 8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.892 -9.380 9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.061 -7.324 7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.350 -8.517 6.975 1.00 0.00 H new ATOM 1700 N GLU A 107 -6.903 -4.854 11.568 1.00 0.00 N ATOM 1701 CA GLU A 107 -6.901 -4.064 12.793 1.00 0.00 C ATOM 1702 C GLU A 107 -8.206 -3.272 12.901 1.00 0.00 C ATOM 1703 O GLU A 107 -8.952 -3.379 13.896 1.00 0.00 O ATOM 1704 CB GLU A 107 -5.697 -3.109 12.787 1.00 0.00 C ATOM 1705 CG GLU A 107 -5.557 -2.254 14.037 1.00 0.00 C ATOM 1706 CD GLU A 107 -5.300 -3.075 15.275 1.00 0.00 C ATOM 1707 OE1 GLU A 107 -4.265 -3.774 15.328 1.00 0.00 O ATOM 1708 OE2 GLU A 107 -6.125 -3.021 16.208 1.00 0.00 O ATOM 0 H GLU A 107 -6.191 -4.575 10.893 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.822 -4.728 13.654 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -4.787 -3.695 12.660 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.776 -2.452 11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.740 -1.546 13.899 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.466 -1.669 14.176 1.00 0.00 H new ATOM 1715 N VAL A 108 -8.497 -2.502 11.858 1.00 0.00 N ATOM 1716 CA VAL A 108 -9.701 -1.697 11.824 1.00 0.00 C ATOM 1717 C VAL A 108 -10.934 -2.572 11.785 1.00 0.00 C ATOM 1718 O VAL A 108 -11.982 -2.171 12.241 1.00 0.00 O ATOM 1719 CB VAL A 108 -9.729 -0.722 10.619 1.00 0.00 C ATOM 1720 CG1 VAL A 108 -8.524 0.182 10.639 1.00 0.00 C ATOM 1721 CG2 VAL A 108 -9.810 -1.473 9.301 1.00 0.00 C ATOM 0 H VAL A 108 -7.911 -2.422 11.027 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.698 -1.104 12.739 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.625 -0.109 10.709 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.562 0.859 9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.520 0.762 11.562 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.617 -0.420 10.584 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.828 -0.760 8.477 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.942 -2.124 9.199 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -10.719 -2.075 9.280 1.00 0.00 H new ATOM 1731 N LEU A 109 -10.787 -3.782 11.254 1.00 0.00 N ATOM 1732 CA LEU A 109 -11.899 -4.709 11.144 1.00 0.00 C ATOM 1733 C LEU A 109 -12.440 -5.028 12.532 1.00 0.00 C ATOM 1734 O LEU A 109 -13.640 -4.910 12.788 1.00 0.00 O ATOM 1735 CB LEU A 109 -11.446 -6.002 10.425 1.00 0.00 C ATOM 1736 CG LEU A 109 -12.548 -6.938 9.874 1.00 0.00 C ATOM 1737 CD1 LEU A 109 -11.927 -8.009 8.997 1.00 0.00 C ATOM 1738 CD2 LEU A 109 -13.343 -7.596 10.997 1.00 0.00 C ATOM 0 H LEU A 109 -9.903 -4.141 10.893 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.693 -4.250 10.555 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.801 -5.716 9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.834 -6.576 11.120 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.235 -6.329 9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.709 -8.664 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.405 -7.539 8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.219 -8.595 9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -14.107 -8.245 10.570 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.672 -8.187 11.620 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.819 -6.827 11.605 1.00 0.00 H new ATOM 1750 N GLU A 110 -11.541 -5.413 13.426 1.00 0.00 N ATOM 1751 CA GLU A 110 -11.908 -5.766 14.787 1.00 0.00 C ATOM 1752 C GLU A 110 -12.567 -4.584 15.504 1.00 0.00 C ATOM 1753 O GLU A 110 -13.569 -4.750 16.209 1.00 0.00 O ATOM 1754 CB GLU A 110 -10.668 -6.235 15.560 1.00 0.00 C ATOM 1755 CG GLU A 110 -10.957 -6.745 16.966 1.00 0.00 C ATOM 1756 CD GLU A 110 -11.882 -7.944 16.975 1.00 0.00 C ATOM 1757 OE1 GLU A 110 -11.547 -8.962 16.344 1.00 0.00 O ATOM 1758 OE2 GLU A 110 -12.949 -7.878 17.632 1.00 0.00 O ATOM 0 H GLU A 110 -10.543 -5.489 13.229 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.632 -6.580 14.746 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.180 -7.027 14.993 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.961 -5.408 15.625 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.018 -7.012 17.451 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.403 -5.943 17.554 1.00 0.00 H new ATOM 1765 N ARG A 111 -12.028 -3.389 15.298 1.00 0.00 N ATOM 1766 CA ARG A 111 -12.560 -2.204 15.967 1.00 0.00 C ATOM 1767 C ARG A 111 -13.853 -1.728 15.306 1.00 0.00 C ATOM 1768 O ARG A 111 -14.737 -1.177 15.965 1.00 0.00 O ATOM 1769 CB ARG A 111 -11.517 -1.089 15.995 1.00 0.00 C ATOM 1770 CG ARG A 111 -11.944 0.138 16.786 1.00 0.00 C ATOM 1771 CD ARG A 111 -10.741 0.860 17.358 1.00 0.00 C ATOM 1772 NE ARG A 111 -9.981 -0.013 18.253 1.00 0.00 N ATOM 1773 CZ ARG A 111 -8.832 0.306 18.841 1.00 0.00 C ATOM 1774 NH1 ARG A 111 -8.284 1.502 18.649 1.00 0.00 N ATOM 1775 NH2 ARG A 111 -8.229 -0.578 19.620 1.00 0.00 N ATOM 0 H ARG A 111 -11.234 -3.213 14.682 1.00 0.00 H new ATOM 0 HA ARG A 111 -12.797 -2.476 16.996 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -10.593 -1.480 16.422 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.293 -0.789 14.971 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -12.506 0.814 16.141 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.612 -0.160 17.594 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.099 1.203 16.547 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -11.069 1.746 17.901 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.363 -0.940 18.441 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -8.745 2.184 18.046 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.402 1.738 19.104 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.646 -1.497 19.766 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.347 -0.340 20.074 1.00 0.00 H new ATOM 1789 N MET A 112 -13.964 -1.962 14.015 1.00 0.00 N ATOM 1790 CA MET A 112 -15.144 -1.579 13.264 1.00 0.00 C ATOM 1791 C MET A 112 -16.298 -2.474 13.646 1.00 0.00 C ATOM 1792 O MET A 112 -17.438 -2.030 13.782 1.00 0.00 O ATOM 1793 CB MET A 112 -14.872 -1.696 11.774 1.00 0.00 C ATOM 1794 CG MET A 112 -15.610 -0.687 10.935 1.00 0.00 C ATOM 1795 SD MET A 112 -15.112 1.017 11.293 1.00 0.00 S ATOM 1796 CE MET A 112 -13.341 0.922 11.017 1.00 0.00 C ATOM 0 H MET A 112 -13.243 -2.421 13.458 1.00 0.00 H new ATOM 0 HA MET A 112 -15.397 -0.545 13.496 1.00 0.00 H new ATOM 0 HB2 MET A 112 -13.802 -1.584 11.601 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.145 -2.698 11.443 1.00 0.00 H new ATOM 0 HG2 MET A 112 -15.434 -0.899 9.880 1.00 0.00 H new ATOM 0 HG3 MET A 112 -16.681 -0.792 11.106 1.00 0.00 H new ATOM 0 HE1 MET A 112 -12.980 1.879 10.640 1.00 0.00 H new ATOM 0 HE2 MET A 112 -12.838 0.689 11.956 1.00 0.00 H new ATOM 0 HE3 MET A 112 -13.128 0.140 10.288 1.00 0.00 H new ATOM 1806 N LYS A 113 -15.979 -3.741 13.823 1.00 0.00 N ATOM 1807 CA LYS A 113 -16.945 -4.734 14.250 1.00 0.00 C ATOM 1808 C LYS A 113 -17.473 -4.368 15.625 1.00 0.00 C ATOM 1809 O LYS A 113 -18.647 -4.549 15.914 1.00 0.00 O ATOM 1810 CB LYS A 113 -16.300 -6.125 14.277 1.00 0.00 C ATOM 1811 CG LYS A 113 -17.233 -7.242 14.734 1.00 0.00 C ATOM 1812 CD LYS A 113 -16.543 -8.603 14.696 1.00 0.00 C ATOM 1813 CE LYS A 113 -15.334 -8.654 15.625 1.00 0.00 C ATOM 1814 NZ LYS A 113 -15.713 -8.531 17.057 1.00 0.00 N ATOM 0 H LYS A 113 -15.040 -4.112 13.674 1.00 0.00 H new ATOM 0 HA LYS A 113 -17.775 -4.755 13.544 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.932 -6.361 13.279 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.434 -6.098 14.938 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -17.578 -7.037 15.747 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -18.116 -7.263 14.095 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -17.254 -9.378 14.982 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -16.227 -8.821 13.676 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -14.802 -9.593 15.472 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.645 -7.851 15.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.877 -8.267 17.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -16.444 -7.799 17.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -16.083 -9.441 17.398 1.00 0.00 H new ATOM 1828 N GLN A 114 -16.586 -3.832 16.459 1.00 0.00 N ATOM 1829 CA GLN A 114 -16.947 -3.388 17.797 1.00 0.00 C ATOM 1830 C GLN A 114 -18.034 -2.320 17.716 1.00 0.00 C ATOM 1831 O GLN A 114 -19.068 -2.428 18.369 1.00 0.00 O ATOM 1832 CB GLN A 114 -15.711 -2.837 18.513 1.00 0.00 C ATOM 1833 CG GLN A 114 -15.959 -2.361 19.932 1.00 0.00 C ATOM 1834 CD GLN A 114 -14.671 -1.992 20.641 1.00 0.00 C ATOM 1835 OE1 GLN A 114 -13.695 -1.584 20.011 1.00 0.00 O ATOM 1836 NE2 GLN A 114 -14.651 -2.140 21.945 1.00 0.00 N ATOM 0 H GLN A 114 -15.603 -3.695 16.226 1.00 0.00 H new ATOM 0 HA GLN A 114 -17.332 -4.235 18.364 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.944 -3.611 18.533 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.311 -2.007 17.931 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.623 -1.497 19.914 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.470 -3.144 20.493 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -15.480 -2.481 22.432 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -13.807 -1.914 22.471 1.00 0.00 H new ATOM 1845 N GLU A 115 -17.776 -1.284 16.914 1.00 0.00 N ATOM 1846 CA GLU A 115 -18.751 -0.216 16.677 1.00 0.00 C ATOM 1847 C GLU A 115 -20.088 -0.819 16.232 1.00 0.00 C ATOM 1848 O GLU A 115 -21.151 -0.444 16.738 1.00 0.00 O ATOM 1849 CB GLU A 115 -18.220 0.748 15.598 1.00 0.00 C ATOM 1850 CG GLU A 115 -18.771 2.177 15.673 1.00 0.00 C ATOM 1851 CD GLU A 115 -20.281 2.263 15.530 1.00 0.00 C ATOM 1852 OE1 GLU A 115 -20.801 1.967 14.432 1.00 0.00 O ATOM 1853 OE2 GLU A 115 -20.950 2.651 16.508 1.00 0.00 O ATOM 0 H GLU A 115 -16.895 -1.162 16.415 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.905 0.339 17.603 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.133 0.790 15.674 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.456 0.336 14.617 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.480 2.618 16.626 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.307 2.776 14.890 1.00 0.00 H new ATOM 1860 N GLU A 116 -20.012 -1.785 15.321 1.00 0.00 N ATOM 1861 CA GLU A 116 -21.196 -2.451 14.800 1.00 0.00 C ATOM 1862 C GLU A 116 -21.950 -3.136 15.938 1.00 0.00 C ATOM 1863 O GLU A 116 -23.112 -2.827 16.202 1.00 0.00 O ATOM 1864 CB GLU A 116 -20.798 -3.484 13.737 1.00 0.00 C ATOM 1865 CG GLU A 116 -21.978 -4.168 13.059 1.00 0.00 C ATOM 1866 CD GLU A 116 -22.793 -3.215 12.214 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -23.754 -2.626 12.734 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -22.476 -3.056 11.020 1.00 0.00 O ATOM 0 H GLU A 116 -19.134 -2.124 14.927 1.00 0.00 H new ATOM 0 HA GLU A 116 -21.846 -1.707 14.340 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -20.192 -2.991 12.977 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -20.170 -4.244 14.202 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.611 -4.981 12.433 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -22.620 -4.615 13.818 1.00 0.00 H new ATOM 1875 N GLU A 117 -21.259 -4.047 16.615 1.00 0.00 N ATOM 1876 CA GLU A 117 -21.819 -4.790 17.741 1.00 0.00 C ATOM 1877 C GLU A 117 -22.420 -3.849 18.791 1.00 0.00 C ATOM 1878 O GLU A 117 -23.522 -4.078 19.276 1.00 0.00 O ATOM 1879 CB GLU A 117 -20.741 -5.675 18.390 1.00 0.00 C ATOM 1880 CG GLU A 117 -20.170 -6.742 17.460 1.00 0.00 C ATOM 1881 CD GLU A 117 -19.066 -7.563 18.104 1.00 0.00 C ATOM 1882 OE1 GLU A 117 -17.875 -7.193 17.966 1.00 0.00 O ATOM 1883 OE2 GLU A 117 -19.376 -8.592 18.736 1.00 0.00 O ATOM 0 H GLU A 117 -20.293 -4.292 16.399 1.00 0.00 H new ATOM 0 HA GLU A 117 -22.618 -5.422 17.353 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -19.927 -5.040 18.741 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -21.166 -6.162 19.268 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -20.973 -7.408 17.144 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -19.781 -6.263 16.562 1.00 0.00 H new ATOM 1890 N ALA A 118 -21.698 -2.783 19.109 1.00 0.00 N ATOM 1891 CA ALA A 118 -22.120 -1.830 20.133 1.00 0.00 C ATOM 1892 C ALA A 118 -23.440 -1.134 19.790 1.00 0.00 C ATOM 1893 O ALA A 118 -24.373 -1.113 20.608 1.00 0.00 O ATOM 1894 CB ALA A 118 -21.029 -0.798 20.375 1.00 0.00 C ATOM 0 H ALA A 118 -20.807 -2.553 18.668 1.00 0.00 H new ATOM 0 HA ALA A 118 -22.291 -2.402 21.045 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -21.357 -0.094 21.140 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -20.121 -1.300 20.709 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -20.826 -0.259 19.450 1.00 0.00 H new ATOM 1900 N HIS A 119 -23.543 -0.585 18.585 1.00 0.00 N ATOM 1901 CA HIS A 119 -24.741 0.167 18.219 1.00 0.00 C ATOM 1902 C HIS A 119 -25.885 -0.771 17.829 1.00 0.00 C ATOM 1903 O HIS A 119 -27.055 -0.445 18.014 1.00 0.00 O ATOM 1904 CB HIS A 119 -24.457 1.195 17.093 1.00 0.00 C ATOM 1905 CG HIS A 119 -24.486 0.642 15.697 1.00 0.00 C ATOM 1906 ND1 HIS A 119 -25.624 0.624 14.924 1.00 0.00 N ATOM 1907 CD2 HIS A 119 -23.521 0.083 14.942 1.00 0.00 C ATOM 1908 CE1 HIS A 119 -25.355 0.072 13.758 1.00 0.00 C ATOM 1909 NE2 HIS A 119 -24.087 -0.267 13.740 1.00 0.00 N ATOM 0 H HIS A 119 -22.830 -0.643 17.858 1.00 0.00 H new ATOM 0 HA HIS A 119 -25.049 0.728 19.101 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -25.191 1.998 17.163 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -23.478 1.641 17.269 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -22.490 -0.063 15.229 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -26.059 -0.076 12.953 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -23.602 -0.716 12.963 1.00 0.00 H new