USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 721 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 55 HIS : no HD1:sc= -3.25! C(o=-3.3!,f=-4!) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= -0.0035 USER MOD Set 2.1: A 77 TYR OH : rot -111:sc= 1.51! USER MOD Set 2.2: A 79 TYR OH : rot -47:sc= 0.743! USER MOD Single : A 1 MET CE :methyl -161:sc= -0.108 (180deg=-0.663) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.0425 (180deg=-0.349) USER MOD Single : A 2 SER OG : rot 160:sc= -0.0921 USER MOD Single : A 5 LYS NZ :NH3+ -130:sc= -0.708 (180deg=-0.82) USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= -2.86! (180deg=-5.16!) USER MOD Single : A 10 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.095) USER MOD Single : A 13 MET CE :methyl 176:sc= -4.62 (180deg=-5.05!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -121:sc= -5.33! (180deg=-10.3!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.478 F(o=-1.7,f=-0.48) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot -18:sc= -2.29 USER MOD Single : A 26 THR OG1 : rot 60:sc= 1.28 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0315 (180deg=-0.323) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.686 F(o=-2.9,f=-0.69) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0369 (180deg=-0.256) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= -0.667 (180deg=-1.09) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 146:sc= 0.28 (180deg=-0.404) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -2.36! C(o=-3.9!,f=-2.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.23 USER MOD Single : A 56 CYS SG : rot 46:sc= -3.56 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.284 F(o=-2,f=-0.28) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.723 X(o=-0.72,f=-0.72) USER MOD Single : A 72 THR OG1 : rot -121:sc= -4.74! USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= -0.0403 (180deg=-0.226) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.8 F(o=-1.6,f=-0.8) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -115:sc= 1.72 (180deg=-0.752) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.842 17.080 4.652 1.00 0.00 N ATOM 2 CA MET A 1 9.947 15.996 4.168 1.00 0.00 C ATOM 3 C MET A 1 10.147 14.715 4.971 1.00 0.00 C ATOM 4 O MET A 1 10.960 14.670 5.895 1.00 0.00 O ATOM 5 CB MET A 1 10.243 15.745 2.689 1.00 0.00 C ATOM 6 CG MET A 1 10.028 16.966 1.809 1.00 0.00 C ATOM 7 SD MET A 1 8.333 17.578 1.871 1.00 0.00 S ATOM 8 CE MET A 1 7.436 16.147 1.277 1.00 0.00 C ATOM 0 H1 MET A 1 10.295 17.957 4.765 1.00 0.00 H new ATOM 0 H2 MET A 1 11.253 16.808 5.568 1.00 0.00 H new ATOM 0 H3 MET A 1 11.605 17.234 3.962 1.00 0.00 H new ATOM 0 HA MET A 1 8.909 16.304 4.297 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.275 15.410 2.585 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.608 14.934 2.332 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.708 17.759 2.122 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.282 16.716 0.779 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.446 16.453 0.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.980 15.695 0.448 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.335 15.420 2.083 1.00 0.00 H new ATOM 20 N SER A 2 9.403 13.674 4.611 1.00 0.00 N ATOM 21 CA SER A 2 9.499 12.392 5.301 1.00 0.00 C ATOM 22 C SER A 2 8.953 11.262 4.433 1.00 0.00 C ATOM 23 O SER A 2 7.750 11.185 4.183 1.00 0.00 O ATOM 24 CB SER A 2 8.739 12.443 6.627 1.00 0.00 C ATOM 25 OG SER A 2 8.819 11.205 7.310 1.00 0.00 O ATOM 0 H SER A 2 8.728 13.693 3.847 1.00 0.00 H new ATOM 0 HA SER A 2 10.552 12.196 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.149 13.235 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.694 12.692 6.441 1.00 0.00 H new ATOM 0 HG SER A 2 8.620 11.342 8.260 1.00 0.00 H new ATOM 31 N ASP A 3 9.845 10.388 3.978 1.00 0.00 N ATOM 32 CA ASP A 3 9.454 9.262 3.139 1.00 0.00 C ATOM 33 C ASP A 3 9.636 7.944 3.886 1.00 0.00 C ATOM 34 O ASP A 3 10.070 6.946 3.313 1.00 0.00 O ATOM 35 CB ASP A 3 10.275 9.254 1.848 1.00 0.00 C ATOM 36 CG ASP A 3 9.854 8.148 0.899 1.00 0.00 C ATOM 37 OD1 ASP A 3 8.677 8.138 0.484 1.00 0.00 O ATOM 38 OD2 ASP A 3 10.704 7.293 0.571 1.00 0.00 O ATOM 0 H ASP A 3 10.844 10.438 4.177 1.00 0.00 H new ATOM 0 HA ASP A 3 8.399 9.372 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.170 10.217 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.330 9.136 2.093 1.00 0.00 H new ATOM 43 N ARG A 4 9.303 7.950 5.174 1.00 0.00 N ATOM 44 CA ARG A 4 9.430 6.756 6.003 1.00 0.00 C ATOM 45 C ARG A 4 8.605 6.879 7.279 1.00 0.00 C ATOM 46 O ARG A 4 8.955 6.318 8.317 1.00 0.00 O ATOM 47 CB ARG A 4 10.897 6.506 6.345 1.00 0.00 C ATOM 48 CG ARG A 4 11.655 7.750 6.792 1.00 0.00 C ATOM 49 CD ARG A 4 11.113 8.311 8.098 1.00 0.00 C ATOM 50 NE ARG A 4 11.156 7.328 9.178 1.00 0.00 N ATOM 51 CZ ARG A 4 10.743 7.570 10.419 1.00 0.00 C ATOM 52 NH1 ARG A 4 10.260 8.764 10.743 1.00 0.00 N ATOM 53 NH2 ARG A 4 10.814 6.618 11.339 1.00 0.00 N ATOM 0 H ARG A 4 8.943 8.768 5.666 1.00 0.00 H new ATOM 0 HA ARG A 4 9.047 5.908 5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.952 5.757 7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.395 6.085 5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.711 7.507 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.590 8.512 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.693 9.188 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.085 8.643 7.951 1.00 0.00 H new ATOM 0 HE ARG A 4 11.525 6.401 8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.205 9.500 10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.944 8.945 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.185 5.700 11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.497 6.804 12.291 1.00 0.00 H new ATOM 67 N LYS A 5 7.511 7.620 7.189 1.00 0.00 N ATOM 68 CA LYS A 5 6.627 7.829 8.331 1.00 0.00 C ATOM 69 C LYS A 5 5.507 6.787 8.363 1.00 0.00 C ATOM 70 O LYS A 5 4.504 6.966 9.054 1.00 0.00 O ATOM 71 CB LYS A 5 6.033 9.244 8.298 1.00 0.00 C ATOM 72 CG LYS A 5 4.867 9.420 7.332 1.00 0.00 C ATOM 73 CD LYS A 5 5.241 9.068 5.901 1.00 0.00 C ATOM 74 CE LYS A 5 4.103 9.356 4.936 1.00 0.00 C ATOM 75 NZ LYS A 5 3.738 10.800 4.915 1.00 0.00 N ATOM 0 H LYS A 5 7.211 8.089 6.334 1.00 0.00 H new ATOM 0 HA LYS A 5 7.221 7.716 9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.699 9.507 9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.820 9.948 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.036 8.792 7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.520 10.453 7.370 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.122 9.637 5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.509 8.013 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.390 9.041 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.231 8.766 5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.710 10.900 5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.225 11.292 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.025 11.217 4.007 1.00 0.00 H new ATOM 89 N ALA A 6 5.683 5.701 7.615 1.00 0.00 N ATOM 90 CA ALA A 6 4.686 4.638 7.567 1.00 0.00 C ATOM 91 C ALA A 6 4.482 4.016 8.941 1.00 0.00 C ATOM 92 O ALA A 6 5.430 3.535 9.563 1.00 0.00 O ATOM 93 CB ALA A 6 5.099 3.574 6.558 1.00 0.00 C ATOM 0 H ALA A 6 6.506 5.535 7.035 1.00 0.00 H new ATOM 0 HA ALA A 6 3.738 5.075 7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.346 2.786 6.532 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.187 4.025 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.059 3.149 6.850 1.00 0.00 H new ATOM 99 N VAL A 7 3.240 4.028 9.414 1.00 0.00 N ATOM 100 CA VAL A 7 2.914 3.466 10.720 1.00 0.00 C ATOM 101 C VAL A 7 2.013 2.241 10.585 1.00 0.00 C ATOM 102 O VAL A 7 0.803 2.367 10.395 1.00 0.00 O ATOM 103 CB VAL A 7 2.220 4.508 11.618 1.00 0.00 C ATOM 104 CG1 VAL A 7 1.945 3.931 13.000 1.00 0.00 C ATOM 105 CG2 VAL A 7 3.062 5.771 11.718 1.00 0.00 C ATOM 0 H VAL A 7 2.443 4.421 8.913 1.00 0.00 H new ATOM 0 HA VAL A 7 3.855 3.167 11.182 1.00 0.00 H new ATOM 0 HB VAL A 7 1.264 4.769 11.165 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.455 4.684 13.618 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.297 3.059 12.908 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.886 3.637 13.465 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.556 6.496 12.356 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.034 5.527 12.146 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.199 6.196 10.724 1.00 0.00 H new ATOM 115 N ILE A 8 2.609 1.058 10.688 1.00 0.00 N ATOM 116 CA ILE A 8 1.860 -0.188 10.582 1.00 0.00 C ATOM 117 C ILE A 8 1.123 -0.488 11.884 1.00 0.00 C ATOM 118 O ILE A 8 1.560 -0.085 12.962 1.00 0.00 O ATOM 119 CB ILE A 8 2.784 -1.374 10.237 1.00 0.00 C ATOM 120 CG1 ILE A 8 3.551 -1.091 8.944 1.00 0.00 C ATOM 121 CG2 ILE A 8 1.977 -2.660 10.108 1.00 0.00 C ATOM 122 CD1 ILE A 8 4.486 -2.210 8.538 1.00 0.00 C ATOM 0 H ILE A 8 3.609 0.936 10.845 1.00 0.00 H new ATOM 0 HA ILE A 8 1.137 -0.061 9.776 1.00 0.00 H new ATOM 0 HB ILE A 8 3.503 -1.500 11.046 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.837 -0.915 8.139 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.127 -0.174 9.066 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.645 -3.486 9.864 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.471 -2.868 11.051 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.236 -2.547 9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.996 -1.940 7.613 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.223 -2.372 9.325 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.913 -3.124 8.383 1.00 0.00 H new ATOM 134 N LYS A 9 0.003 -1.197 11.777 1.00 0.00 N ATOM 135 CA LYS A 9 -0.792 -1.545 12.949 1.00 0.00 C ATOM 136 C LYS A 9 -0.804 -3.055 13.177 1.00 0.00 C ATOM 137 O LYS A 9 -0.434 -3.529 14.250 1.00 0.00 O ATOM 138 CB LYS A 9 -2.224 -1.029 12.796 1.00 0.00 C ATOM 139 CG LYS A 9 -2.321 0.484 12.680 1.00 0.00 C ATOM 140 CD LYS A 9 -1.715 1.198 13.883 1.00 0.00 C ATOM 141 CE LYS A 9 -2.536 0.992 15.150 1.00 0.00 C ATOM 142 NZ LYS A 9 -2.461 -0.407 15.659 1.00 0.00 N ATOM 0 H LYS A 9 -0.373 -1.541 10.893 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.333 -1.070 13.816 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.671 -1.481 11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.812 -1.357 13.653 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.812 0.810 11.773 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.367 0.772 12.579 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.701 0.834 14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.640 2.264 13.670 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.183 1.675 15.922 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.577 1.247 14.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.516 -0.402 16.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.253 -0.960 15.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.562 -0.837 15.362 1.00 0.00 H new ATOM 156 N ASN A 10 -1.234 -3.804 12.165 1.00 0.00 N ATOM 157 CA ASN A 10 -1.291 -5.256 12.272 1.00 0.00 C ATOM 158 C ASN A 10 -1.281 -5.912 10.894 1.00 0.00 C ATOM 159 O ASN A 10 -1.810 -5.363 9.929 1.00 0.00 O ATOM 160 CB ASN A 10 -2.542 -5.679 13.046 1.00 0.00 C ATOM 161 CG ASN A 10 -2.647 -7.184 13.205 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.761 -7.822 13.773 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.735 -7.758 12.707 1.00 0.00 N ATOM 0 H ASN A 10 -1.546 -3.431 11.268 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.405 -5.589 12.812 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.530 -5.213 14.031 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.427 -5.309 12.529 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.862 -8.767 12.788 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.445 -7.190 12.244 1.00 0.00 H new ATOM 170 N ALA A 11 -0.674 -7.091 10.815 1.00 0.00 N ATOM 171 CA ALA A 11 -0.591 -7.833 9.563 1.00 0.00 C ATOM 172 C ALA A 11 -0.489 -9.331 9.827 1.00 0.00 C ATOM 173 O ALA A 11 0.412 -9.786 10.532 1.00 0.00 O ATOM 174 CB ALA A 11 0.598 -7.354 8.745 1.00 0.00 C ATOM 0 H ALA A 11 -0.230 -7.555 11.608 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.503 -7.650 8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.648 -7.916 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.483 -6.293 8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.516 -7.509 9.312 1.00 0.00 H new ATOM 180 N ASP A 12 -1.421 -10.094 9.263 1.00 0.00 N ATOM 181 CA ASP A 12 -1.435 -11.541 9.446 1.00 0.00 C ATOM 182 C ASP A 12 -1.146 -12.264 8.134 1.00 0.00 C ATOM 183 O ASP A 12 -2.022 -12.915 7.564 1.00 0.00 O ATOM 184 CB ASP A 12 -2.788 -11.992 10.003 1.00 0.00 C ATOM 185 CG ASP A 12 -3.099 -11.358 11.344 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.320 -11.568 12.297 1.00 0.00 O ATOM 187 OD2 ASP A 12 -4.126 -10.652 11.443 1.00 0.00 O ATOM 0 H ASP A 12 -2.175 -9.735 8.677 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.651 -11.797 10.158 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.574 -11.737 9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.792 -13.077 10.107 1.00 0.00 H new ATOM 192 N MET A 13 0.091 -12.149 7.660 1.00 0.00 N ATOM 193 CA MET A 13 0.497 -12.792 6.419 1.00 0.00 C ATOM 194 C MET A 13 1.910 -13.352 6.541 1.00 0.00 C ATOM 195 O MET A 13 2.556 -13.205 7.579 1.00 0.00 O ATOM 196 CB MET A 13 0.407 -11.799 5.260 1.00 0.00 C ATOM 197 CG MET A 13 1.068 -10.463 5.553 1.00 0.00 C ATOM 198 SD MET A 13 0.850 -9.271 4.219 1.00 0.00 S ATOM 199 CE MET A 13 -0.936 -9.181 4.133 1.00 0.00 C ATOM 0 H MET A 13 0.829 -11.615 8.119 1.00 0.00 H new ATOM 0 HA MET A 13 -0.179 -13.623 6.219 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.872 -12.239 4.378 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.642 -11.631 5.017 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.654 -10.052 6.473 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.133 -10.619 5.725 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.228 -8.429 3.400 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.335 -10.151 3.836 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.334 -8.909 5.110 1.00 0.00 H new ATOM 209 N SER A 14 2.384 -13.998 5.482 1.00 0.00 N ATOM 210 CA SER A 14 3.721 -14.584 5.478 1.00 0.00 C ATOM 211 C SER A 14 4.766 -13.566 5.914 1.00 0.00 C ATOM 212 O SER A 14 5.519 -13.806 6.857 1.00 0.00 O ATOM 213 CB SER A 14 4.063 -15.119 4.086 1.00 0.00 C ATOM 214 OG SER A 14 5.357 -15.694 4.064 1.00 0.00 O ATOM 0 H SER A 14 1.863 -14.130 4.615 1.00 0.00 H new ATOM 0 HA SER A 14 3.728 -15.410 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.325 -15.864 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.009 -14.309 3.359 1.00 0.00 H new ATOM 0 HG SER A 14 5.551 -16.030 3.164 1.00 0.00 H new ATOM 220 N GLU A 15 4.786 -12.430 5.216 1.00 0.00 N ATOM 221 CA GLU A 15 5.718 -11.320 5.483 1.00 0.00 C ATOM 222 C GLU A 15 6.190 -10.698 4.179 1.00 0.00 C ATOM 223 O GLU A 15 6.313 -9.477 4.065 1.00 0.00 O ATOM 224 CB GLU A 15 6.941 -11.762 6.299 1.00 0.00 C ATOM 225 CG GLU A 15 7.785 -12.824 5.612 1.00 0.00 C ATOM 226 CD GLU A 15 8.973 -13.255 6.451 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.818 -12.392 6.772 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.060 -14.454 6.785 1.00 0.00 O ATOM 0 H GLU A 15 4.151 -12.247 4.439 1.00 0.00 H new ATOM 0 HA GLU A 15 5.167 -10.587 6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.564 -10.891 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.604 -12.145 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.164 -13.693 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.140 -12.439 4.656 1.00 0.00 H new ATOM 235 N ASP A 16 6.441 -11.546 3.191 1.00 0.00 N ATOM 236 CA ASP A 16 6.889 -11.081 1.889 1.00 0.00 C ATOM 237 C ASP A 16 5.797 -10.267 1.212 1.00 0.00 C ATOM 238 O ASP A 16 6.045 -9.578 0.221 1.00 0.00 O ATOM 239 CB ASP A 16 7.287 -12.265 1.006 1.00 0.00 C ATOM 240 CG ASP A 16 6.138 -13.228 0.771 1.00 0.00 C ATOM 241 OD1 ASP A 16 5.033 -12.975 1.296 1.00 0.00 O ATOM 242 OD2 ASP A 16 6.345 -14.235 0.062 1.00 0.00 O ATOM 0 H ASP A 16 6.342 -12.558 3.268 1.00 0.00 H new ATOM 0 HA ASP A 16 7.762 -10.444 2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.647 -11.893 0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.115 -12.799 1.472 1.00 0.00 H new ATOM 247 N MET A 17 4.582 -10.343 1.752 1.00 0.00 N ATOM 248 CA MET A 17 3.463 -9.604 1.195 1.00 0.00 C ATOM 249 C MET A 17 3.351 -8.243 1.836 1.00 0.00 C ATOM 250 O MET A 17 3.214 -7.240 1.144 1.00 0.00 O ATOM 251 CB MET A 17 2.166 -10.394 1.350 1.00 0.00 C ATOM 252 CG MET A 17 2.104 -11.638 0.479 1.00 0.00 C ATOM 253 SD MET A 17 0.551 -12.537 0.656 1.00 0.00 S ATOM 254 CE MET A 17 -0.620 -11.314 0.074 1.00 0.00 C ATOM 0 H MET A 17 4.353 -10.907 2.570 1.00 0.00 H new ATOM 0 HA MET A 17 3.642 -9.459 0.130 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.050 -10.685 2.394 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.324 -9.746 1.105 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.237 -11.352 -0.565 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.932 -12.298 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.340 -11.096 0.863 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.089 -10.401 -0.195 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.145 -11.700 -0.800 1.00 0.00 H new ATOM 264 N GLN A 18 3.457 -8.192 3.152 1.00 0.00 N ATOM 265 CA GLN A 18 3.423 -6.914 3.832 1.00 0.00 C ATOM 266 C GLN A 18 4.645 -6.113 3.395 1.00 0.00 C ATOM 267 O GLN A 18 4.672 -4.883 3.490 1.00 0.00 O ATOM 268 CB GLN A 18 3.389 -7.098 5.350 1.00 0.00 C ATOM 269 CG GLN A 18 4.434 -8.061 5.881 1.00 0.00 C ATOM 270 CD GLN A 18 4.263 -8.335 7.360 1.00 0.00 C ATOM 271 OE1 GLN A 18 3.804 -9.538 7.687 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 4.518 -7.470 8.199 1.00 0.00 N flip ATOM 0 H GLN A 18 3.565 -9.004 3.759 1.00 0.00 H new ATOM 0 HA GLN A 18 2.515 -6.374 3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.530 -6.128 5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.401 -7.455 5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.373 -9.000 5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.428 -7.650 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.869 -6.559 7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.378 -7.664 9.191 1.00 0.00 H new ATOM 281 N GLN A 19 5.645 -6.831 2.868 1.00 0.00 N ATOM 282 CA GLN A 19 6.858 -6.211 2.370 1.00 0.00 C ATOM 283 C GLN A 19 6.657 -5.791 0.922 1.00 0.00 C ATOM 284 O GLN A 19 6.915 -4.647 0.552 1.00 0.00 O ATOM 285 CB GLN A 19 8.035 -7.181 2.483 1.00 0.00 C ATOM 286 CG GLN A 19 9.335 -6.618 1.941 1.00 0.00 C ATOM 287 CD GLN A 19 10.495 -7.584 2.081 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.464 -8.690 1.541 1.00 0.00 O ATOM 289 NE2 GLN A 19 11.525 -7.171 2.809 1.00 0.00 N ATOM 0 H GLN A 19 5.628 -7.847 2.780 1.00 0.00 H new ATOM 0 HA GLN A 19 7.081 -5.329 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.174 -7.452 3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.793 -8.098 1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.205 -6.363 0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.573 -5.693 2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.508 -6.246 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.334 -7.779 2.939 1.00 0.00 H new ATOM 298 N ASP A 20 6.157 -6.722 0.115 1.00 0.00 N ATOM 299 CA ASP A 20 5.883 -6.441 -1.287 1.00 0.00 C ATOM 300 C ASP A 20 4.741 -5.440 -1.395 1.00 0.00 C ATOM 301 O ASP A 20 4.593 -4.755 -2.404 1.00 0.00 O ATOM 302 CB ASP A 20 5.531 -7.729 -2.035 1.00 0.00 C ATOM 303 CG ASP A 20 5.257 -7.490 -3.507 1.00 0.00 C ATOM 304 OD1 ASP A 20 6.167 -7.002 -4.208 1.00 0.00 O ATOM 305 OD2 ASP A 20 4.132 -7.792 -3.959 1.00 0.00 O ATOM 0 H ASP A 20 5.935 -7.673 0.408 1.00 0.00 H new ATOM 0 HA ASP A 20 6.777 -6.015 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.350 -8.440 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.654 -8.184 -1.575 1.00 0.00 H new ATOM 310 N ALA A 21 3.951 -5.352 -0.330 1.00 0.00 N ATOM 311 CA ALA A 21 2.833 -4.423 -0.276 1.00 0.00 C ATOM 312 C ALA A 21 3.347 -3.022 0.001 1.00 0.00 C ATOM 313 O ALA A 21 3.042 -2.081 -0.730 1.00 0.00 O ATOM 314 CB ALA A 21 1.834 -4.850 0.788 1.00 0.00 C ATOM 0 H ALA A 21 4.067 -5.917 0.511 1.00 0.00 H new ATOM 0 HA ALA A 21 2.320 -4.427 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.005 -4.143 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.455 -5.845 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.325 -4.869 1.761 1.00 0.00 H new ATOM 320 N VAL A 22 4.153 -2.896 1.049 1.00 0.00 N ATOM 321 CA VAL A 22 4.735 -1.609 1.401 1.00 0.00 C ATOM 322 C VAL A 22 5.594 -1.097 0.252 1.00 0.00 C ATOM 323 O VAL A 22 5.723 0.112 0.049 1.00 0.00 O ATOM 324 CB VAL A 22 5.588 -1.697 2.682 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.204 -0.345 3.016 1.00 0.00 C ATOM 326 CG2 VAL A 22 4.749 -2.205 3.846 1.00 0.00 C ATOM 0 H VAL A 22 4.416 -3.665 1.665 1.00 0.00 H new ATOM 0 HA VAL A 22 3.914 -0.917 1.590 1.00 0.00 H new ATOM 0 HB VAL A 22 6.398 -2.404 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.801 -0.432 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.840 -0.022 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.412 0.387 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.367 -2.261 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.917 -1.522 4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.361 -3.196 3.610 1.00 0.00 H new ATOM 336 N ASP A 23 6.164 -2.027 -0.514 1.00 0.00 N ATOM 337 CA ASP A 23 6.989 -1.662 -1.661 1.00 0.00 C ATOM 338 C ASP A 23 6.108 -1.441 -2.868 1.00 0.00 C ATOM 339 O ASP A 23 6.302 -0.486 -3.618 1.00 0.00 O ATOM 340 CB ASP A 23 8.044 -2.734 -1.943 1.00 0.00 C ATOM 341 CG ASP A 23 9.012 -2.910 -0.787 1.00 0.00 C ATOM 342 OD1 ASP A 23 9.657 -1.913 -0.397 1.00 0.00 O ATOM 343 OD2 ASP A 23 9.131 -4.044 -0.279 1.00 0.00 O ATOM 0 H ASP A 23 6.070 -3.031 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 23 7.518 -0.736 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.548 -3.683 -2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.600 -2.466 -2.841 1.00 0.00 H new ATOM 348 N CYS A 24 5.111 -2.291 -3.030 1.00 0.00 N ATOM 349 CA CYS A 24 4.177 -2.125 -4.125 1.00 0.00 C ATOM 350 C CYS A 24 3.363 -0.859 -3.888 1.00 0.00 C ATOM 351 O CYS A 24 2.747 -0.323 -4.805 1.00 0.00 O ATOM 352 CB CYS A 24 3.254 -3.337 -4.250 1.00 0.00 C ATOM 353 SG CYS A 24 2.040 -3.203 -5.583 1.00 0.00 S ATOM 0 H CYS A 24 4.929 -3.092 -2.426 1.00 0.00 H new ATOM 0 HA CYS A 24 4.732 -2.039 -5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.861 -4.228 -4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.728 -3.479 -3.306 1.00 0.00 H new ATOM 0 HG CYS A 24 1.918 -1.958 -5.935 1.00 0.00 H new ATOM 359 N ALA A 25 3.391 -0.371 -2.643 1.00 0.00 N ATOM 360 CA ALA A 25 2.683 0.844 -2.283 1.00 0.00 C ATOM 361 C ALA A 25 3.587 2.049 -2.492 1.00 0.00 C ATOM 362 O ALA A 25 3.143 3.106 -2.941 1.00 0.00 O ATOM 363 CB ALA A 25 2.205 0.777 -0.839 1.00 0.00 C ATOM 0 H ALA A 25 3.899 -0.806 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 25 1.808 0.945 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.677 1.697 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.533 -0.073 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.063 0.659 -0.177 1.00 0.00 H new ATOM 369 N THR A 26 4.867 1.869 -2.180 1.00 0.00 N ATOM 370 CA THR A 26 5.849 2.928 -2.353 1.00 0.00 C ATOM 371 C THR A 26 6.106 3.144 -3.836 1.00 0.00 C ATOM 372 O THR A 26 6.240 4.277 -4.299 1.00 0.00 O ATOM 373 CB THR A 26 7.153 2.577 -1.634 1.00 0.00 C ATOM 374 OG1 THR A 26 6.926 2.392 -0.249 1.00 0.00 O ATOM 375 CG2 THR A 26 8.225 3.636 -1.785 1.00 0.00 C ATOM 0 H THR A 26 5.246 0.999 -1.806 1.00 0.00 H new ATOM 0 HA THR A 26 5.459 3.848 -1.917 1.00 0.00 H new ATOM 0 HB THR A 26 7.504 1.658 -2.104 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.284 1.663 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.123 3.324 -1.251 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.459 3.769 -2.841 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.866 4.578 -1.371 1.00 0.00 H new ATOM 383 N GLN A 27 6.148 2.044 -4.581 1.00 0.00 N ATOM 384 CA GLN A 27 6.358 2.107 -6.021 1.00 0.00 C ATOM 385 C GLN A 27 5.080 2.561 -6.696 1.00 0.00 C ATOM 386 O GLN A 27 5.107 3.384 -7.610 1.00 0.00 O ATOM 387 CB GLN A 27 6.794 0.747 -6.563 1.00 0.00 C ATOM 388 CG GLN A 27 8.094 0.244 -5.961 1.00 0.00 C ATOM 389 CD GLN A 27 8.446 -1.157 -6.417 1.00 0.00 C ATOM 390 OE1 GLN A 27 8.496 -2.086 -5.472 1.00 0.00 O flip ATOM 391 NE2 GLN A 27 8.662 -1.402 -7.605 1.00 0.00 N flip ATOM 0 H GLN A 27 6.039 1.100 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 27 7.152 2.823 -6.234 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.007 0.018 -6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.906 0.815 -7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.902 0.924 -6.232 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.016 0.259 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.612 -0.654 -8.297 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.891 -2.352 -7.896 1.00 0.00 H new ATOM 400 N ALA A 28 3.956 2.042 -6.221 1.00 0.00 N ATOM 401 CA ALA A 28 2.673 2.429 -6.772 1.00 0.00 C ATOM 402 C ALA A 28 2.430 3.904 -6.500 1.00 0.00 C ATOM 403 O ALA A 28 1.919 4.630 -7.348 1.00 0.00 O ATOM 404 CB ALA A 28 1.549 1.584 -6.193 1.00 0.00 C ATOM 0 H ALA A 28 3.910 1.360 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 28 2.689 2.259 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.599 1.897 -6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.725 0.534 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.516 1.714 -5.111 1.00 0.00 H new ATOM 410 N MET A 29 2.827 4.344 -5.309 1.00 0.00 N ATOM 411 CA MET A 29 2.677 5.735 -4.921 1.00 0.00 C ATOM 412 C MET A 29 3.779 6.586 -5.542 1.00 0.00 C ATOM 413 O MET A 29 3.654 7.806 -5.643 1.00 0.00 O ATOM 414 CB MET A 29 2.704 5.864 -3.397 1.00 0.00 C ATOM 415 CG MET A 29 2.583 7.296 -2.909 1.00 0.00 C ATOM 416 SD MET A 29 2.616 7.423 -1.111 1.00 0.00 S ATOM 417 CE MET A 29 2.466 9.195 -0.895 1.00 0.00 C ATOM 0 H MET A 29 3.256 3.752 -4.597 1.00 0.00 H new ATOM 0 HA MET A 29 1.716 6.095 -5.288 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.889 5.275 -2.976 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.634 5.437 -3.020 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.398 7.888 -3.326 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.653 7.726 -3.283 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.471 9.434 0.169 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.304 9.693 -1.383 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.532 9.538 -1.339 1.00 0.00 H new ATOM 427 N GLU A 30 4.854 5.933 -5.974 1.00 0.00 N ATOM 428 CA GLU A 30 5.964 6.625 -6.602 1.00 0.00 C ATOM 429 C GLU A 30 5.678 6.801 -8.086 1.00 0.00 C ATOM 430 O GLU A 30 5.925 7.862 -8.660 1.00 0.00 O ATOM 431 CB GLU A 30 7.258 5.837 -6.399 1.00 0.00 C ATOM 432 CG GLU A 30 8.451 6.430 -7.122 1.00 0.00 C ATOM 433 CD GLU A 30 8.776 7.836 -6.658 1.00 0.00 C ATOM 434 OE1 GLU A 30 9.064 8.013 -5.455 1.00 0.00 O ATOM 435 OE2 GLU A 30 8.743 8.762 -7.496 1.00 0.00 O ATOM 0 H GLU A 30 4.976 4.923 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 30 6.083 7.607 -6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.479 5.786 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.108 4.814 -6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.320 5.790 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.252 6.442 -8.194 1.00 0.00 H new ATOM 442 N LYS A 31 5.142 5.750 -8.695 1.00 0.00 N ATOM 443 CA LYS A 31 4.802 5.778 -10.112 1.00 0.00 C ATOM 444 C LYS A 31 3.400 6.346 -10.325 1.00 0.00 C ATOM 445 O LYS A 31 3.150 7.048 -11.304 1.00 0.00 O ATOM 446 CB LYS A 31 4.888 4.369 -10.705 1.00 0.00 C ATOM 447 CG LYS A 31 6.270 3.746 -10.600 1.00 0.00 C ATOM 448 CD LYS A 31 7.309 4.564 -11.349 1.00 0.00 C ATOM 449 CE LYS A 31 8.687 3.928 -11.259 1.00 0.00 C ATOM 450 NZ LYS A 31 8.704 2.557 -11.839 1.00 0.00 N ATOM 0 H LYS A 31 4.933 4.867 -8.229 1.00 0.00 H new ATOM 0 HA LYS A 31 5.518 6.425 -10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.170 3.726 -10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.595 4.407 -11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.555 3.666 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.245 2.733 -11.001 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.017 4.656 -12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.345 5.573 -10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.410 4.553 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.000 3.885 -10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.688 2.257 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.239 1.897 -11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.197 2.558 -12.747 1.00 0.00 H new ATOM 464 N TYR A 32 2.494 6.038 -9.399 1.00 0.00 N ATOM 465 CA TYR A 32 1.112 6.513 -9.476 1.00 0.00 C ATOM 466 C TYR A 32 0.771 7.384 -8.277 1.00 0.00 C ATOM 467 O TYR A 32 1.091 7.051 -7.139 1.00 0.00 O ATOM 468 CB TYR A 32 0.146 5.324 -9.565 1.00 0.00 C ATOM 469 CG TYR A 32 0.239 4.531 -10.856 1.00 0.00 C ATOM 470 CD1 TYR A 32 0.946 5.010 -11.954 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.393 3.299 -10.974 1.00 0.00 C ATOM 472 CE1 TYR A 32 1.019 4.285 -13.128 1.00 0.00 C ATOM 473 CE2 TYR A 32 -0.323 2.569 -12.145 1.00 0.00 C ATOM 474 CZ TYR A 32 0.385 3.065 -13.218 1.00 0.00 C ATOM 475 OH TYR A 32 0.457 2.340 -14.385 1.00 0.00 O ATOM 0 H TYR A 32 2.692 5.459 -8.583 1.00 0.00 H new ATOM 0 HA TYR A 32 1.008 7.119 -10.376 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.337 4.653 -8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.874 5.692 -9.452 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.446 5.965 -11.888 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.949 2.905 -10.136 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.571 4.673 -13.972 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.821 1.614 -12.219 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.043 1.503 -14.282 1.00 0.00 H new ATOM 485 N ASN A 33 0.112 8.505 -8.549 1.00 0.00 N ATOM 486 CA ASN A 33 -0.286 9.437 -7.507 1.00 0.00 C ATOM 487 C ASN A 33 -1.792 9.658 -7.547 1.00 0.00 C ATOM 488 O ASN A 33 -2.297 10.653 -7.029 1.00 0.00 O ATOM 489 CB ASN A 33 0.433 10.780 -7.682 1.00 0.00 C ATOM 490 CG ASN A 33 1.949 10.694 -7.544 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.456 9.581 -7.023 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 2.659 11.640 -7.883 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.158 8.789 -9.491 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.009 9.010 -6.543 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.190 11.185 -8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.050 11.484 -6.943 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.236 12.479 -8.280 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.671 11.585 -7.768 1.00 0.00 H new ATOM 499 N ILE A 34 -2.508 8.729 -8.175 1.00 0.00 N ATOM 500 CA ILE A 34 -3.959 8.842 -8.286 1.00 0.00 C ATOM 501 C ILE A 34 -4.635 8.510 -6.963 1.00 0.00 C ATOM 502 O ILE A 34 -5.721 9.008 -6.669 1.00 0.00 O ATOM 503 CB ILE A 34 -4.542 7.898 -9.358 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.508 7.589 -10.440 1.00 0.00 C ATOM 505 CG2 ILE A 34 -5.803 8.505 -9.959 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.088 7.001 -11.713 1.00 0.00 C ATOM 0 H ILE A 34 -2.111 7.897 -8.611 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.155 9.876 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.807 6.954 -8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.975 8.507 -10.688 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.773 6.893 -10.035 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.207 7.831 -10.715 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.544 8.656 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.562 9.463 -10.419 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.285 6.813 -12.426 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.596 6.064 -11.483 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.800 7.703 -12.146 1.00 0.00 H new ATOM 518 N GLU A 35 -3.991 7.640 -6.188 1.00 0.00 N ATOM 519 CA GLU A 35 -4.516 7.188 -4.898 1.00 0.00 C ATOM 520 C GLU A 35 -5.511 6.053 -5.106 1.00 0.00 C ATOM 521 O GLU A 35 -5.438 5.018 -4.444 1.00 0.00 O ATOM 522 CB GLU A 35 -5.171 8.335 -4.119 1.00 0.00 C ATOM 523 CG GLU A 35 -4.265 9.542 -3.932 1.00 0.00 C ATOM 524 CD GLU A 35 -2.995 9.207 -3.174 1.00 0.00 C ATOM 525 OE1 GLU A 35 -2.221 8.357 -3.660 1.00 0.00 O ATOM 526 OE2 GLU A 35 -2.776 9.797 -2.095 1.00 0.00 O ATOM 0 H GLU A 35 -3.091 7.228 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.676 6.825 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.075 8.648 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.479 7.968 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.004 9.950 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.809 10.320 -3.396 1.00 0.00 H new ATOM 533 N LYS A 36 -6.428 6.249 -6.046 1.00 0.00 N ATOM 534 CA LYS A 36 -7.427 5.237 -6.365 1.00 0.00 C ATOM 535 C LYS A 36 -6.856 4.218 -7.351 1.00 0.00 C ATOM 536 O LYS A 36 -7.376 3.110 -7.484 1.00 0.00 O ATOM 537 CB LYS A 36 -8.679 5.892 -6.950 1.00 0.00 C ATOM 538 CG LYS A 36 -9.784 4.905 -7.283 1.00 0.00 C ATOM 539 CD LYS A 36 -11.008 5.608 -7.848 1.00 0.00 C ATOM 540 CE LYS A 36 -12.117 4.621 -8.173 1.00 0.00 C ATOM 541 NZ LYS A 36 -11.684 3.614 -9.182 1.00 0.00 N ATOM 0 H LYS A 36 -6.500 7.101 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.700 4.719 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.061 6.625 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.405 6.436 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.416 4.176 -8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.062 4.353 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.372 6.342 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.731 6.155 -8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.428 4.111 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.986 5.161 -8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.515 3.102 -9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.208 4.096 -9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.026 2.940 -8.740 1.00 0.00 H new ATOM 555 N ASP A 37 -5.763 4.591 -8.019 1.00 0.00 N ATOM 556 CA ASP A 37 -5.098 3.710 -8.962 1.00 0.00 C ATOM 557 C ASP A 37 -4.030 2.920 -8.227 1.00 0.00 C ATOM 558 O ASP A 37 -3.595 1.864 -8.677 1.00 0.00 O ATOM 559 CB ASP A 37 -4.478 4.510 -10.107 1.00 0.00 C ATOM 560 CG ASP A 37 -3.922 3.619 -11.200 1.00 0.00 C ATOM 561 OD1 ASP A 37 -3.047 2.782 -10.898 1.00 0.00 O ATOM 562 OD2 ASP A 37 -4.362 3.759 -12.360 1.00 0.00 O ATOM 0 H ASP A 37 -5.322 5.505 -7.918 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.829 3.026 -9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.231 5.174 -10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.680 5.141 -9.715 1.00 0.00 H new ATOM 567 N ILE A 38 -3.642 3.439 -7.068 1.00 0.00 N ATOM 568 CA ILE A 38 -2.659 2.791 -6.224 1.00 0.00 C ATOM 569 C ILE A 38 -3.296 1.567 -5.609 1.00 0.00 C ATOM 570 O ILE A 38 -2.658 0.540 -5.405 1.00 0.00 O ATOM 571 CB ILE A 38 -2.189 3.720 -5.086 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.839 5.100 -5.635 1.00 0.00 C ATOM 573 CG2 ILE A 38 -0.996 3.111 -4.363 1.00 0.00 C ATOM 574 CD1 ILE A 38 -0.740 5.074 -6.662 1.00 0.00 C ATOM 0 H ILE A 38 -4.001 4.317 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.795 2.531 -6.835 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.003 3.833 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.731 5.543 -6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.540 5.746 -4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.676 3.778 -3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.280 2.147 -3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.176 2.971 -5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.543 6.088 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.165 4.660 -6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.045 4.454 -7.505 1.00 0.00 H new ATOM 586 N ALA A 39 -4.588 1.692 -5.346 1.00 0.00 N ATOM 587 CA ALA A 39 -5.357 0.598 -4.773 1.00 0.00 C ATOM 588 C ALA A 39 -5.741 -0.384 -5.865 1.00 0.00 C ATOM 589 O ALA A 39 -5.906 -1.581 -5.621 1.00 0.00 O ATOM 590 CB ALA A 39 -6.596 1.128 -4.068 1.00 0.00 C ATOM 0 H ALA A 39 -5.126 2.541 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.744 0.082 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.159 0.295 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.298 1.807 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.221 1.662 -4.783 1.00 0.00 H new ATOM 596 N ALA A 40 -5.857 0.136 -7.079 1.00 0.00 N ATOM 597 CA ALA A 40 -6.201 -0.683 -8.230 1.00 0.00 C ATOM 598 C ALA A 40 -4.942 -1.257 -8.868 1.00 0.00 C ATOM 599 O ALA A 40 -4.986 -2.279 -9.551 1.00 0.00 O ATOM 600 CB ALA A 40 -6.989 0.133 -9.244 1.00 0.00 C ATOM 0 H ALA A 40 -5.717 1.124 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.825 -1.511 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.239 -0.494 -10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.906 0.500 -8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.387 0.979 -9.577 1.00 0.00 H new ATOM 606 N TYR A 41 -3.816 -0.597 -8.623 1.00 0.00 N ATOM 607 CA TYR A 41 -2.539 -1.044 -9.162 1.00 0.00 C ATOM 608 C TYR A 41 -1.909 -2.067 -8.230 1.00 0.00 C ATOM 609 O TYR A 41 -1.160 -2.941 -8.659 1.00 0.00 O ATOM 610 CB TYR A 41 -1.593 0.143 -9.360 1.00 0.00 C ATOM 611 CG TYR A 41 -0.265 -0.236 -9.976 1.00 0.00 C ATOM 612 CD1 TYR A 41 -0.204 -0.845 -11.223 1.00 0.00 C ATOM 613 CD2 TYR A 41 0.928 0.014 -9.309 1.00 0.00 C ATOM 614 CE1 TYR A 41 1.008 -1.193 -11.790 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.143 -0.331 -9.870 1.00 0.00 C ATOM 616 CZ TYR A 41 2.178 -0.934 -11.109 1.00 0.00 C ATOM 617 OH TYR A 41 3.387 -1.278 -11.669 1.00 0.00 O ATOM 0 H TYR A 41 -3.762 0.249 -8.055 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.716 -1.509 -10.132 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.080 0.883 -9.995 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.414 0.619 -8.396 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.119 -1.050 -11.759 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.905 0.485 -8.337 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.038 -1.665 -12.761 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.062 -0.129 -9.340 1.00 0.00 H new ATOM 0 HH TYR A 41 4.113 -1.026 -11.061 1.00 0.00 H new ATOM 627 N ILE A 42 -2.251 -1.964 -6.953 1.00 0.00 N ATOM 628 CA ILE A 42 -1.756 -2.883 -5.944 1.00 0.00 C ATOM 629 C ILE A 42 -2.698 -4.072 -5.850 1.00 0.00 C ATOM 630 O ILE A 42 -2.280 -5.199 -5.584 1.00 0.00 O ATOM 631 CB ILE A 42 -1.652 -2.194 -4.568 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.657 -1.035 -4.632 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.233 -3.192 -3.498 1.00 0.00 C ATOM 634 CD1 ILE A 42 -0.814 -0.046 -3.497 1.00 0.00 C ATOM 0 H ILE A 42 -2.876 -1.244 -6.591 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.759 -3.215 -6.233 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.634 -1.800 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.357 -1.435 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.780 -0.512 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.165 -2.686 -2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.971 -3.991 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.262 -3.614 -3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.077 0.750 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.816 0.381 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.661 -0.556 -2.546 1.00 0.00 H new ATOM 646 N LYS A 43 -3.974 -3.806 -6.110 1.00 0.00 N ATOM 647 CA LYS A 43 -4.983 -4.847 -6.092 1.00 0.00 C ATOM 648 C LYS A 43 -4.809 -5.717 -7.316 1.00 0.00 C ATOM 649 O LYS A 43 -4.944 -6.938 -7.252 1.00 0.00 O ATOM 650 CB LYS A 43 -6.390 -4.240 -6.068 1.00 0.00 C ATOM 651 CG LYS A 43 -7.503 -5.269 -6.189 1.00 0.00 C ATOM 652 CD LYS A 43 -8.875 -4.620 -6.090 1.00 0.00 C ATOM 653 CE LYS A 43 -9.987 -5.648 -6.204 1.00 0.00 C ATOM 654 NZ LYS A 43 -9.942 -6.377 -7.501 1.00 0.00 N ATOM 0 H LYS A 43 -4.329 -2.877 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.863 -5.449 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.520 -3.685 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.480 -3.523 -6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.415 -5.792 -7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.396 -6.017 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.962 -4.093 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.984 -3.876 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.906 -6.362 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.952 -5.151 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.807 -6.943 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.874 -5.693 -8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.113 -7.005 -7.518 1.00 0.00 H new ATOM 668 N LYS A 44 -4.472 -5.077 -8.427 1.00 0.00 N ATOM 669 CA LYS A 44 -4.245 -5.799 -9.666 1.00 0.00 C ATOM 670 C LYS A 44 -2.851 -6.407 -9.659 1.00 0.00 C ATOM 671 O LYS A 44 -2.616 -7.457 -10.258 1.00 0.00 O ATOM 672 CB LYS A 44 -4.423 -4.877 -10.874 1.00 0.00 C ATOM 673 CG LYS A 44 -5.859 -4.424 -11.086 1.00 0.00 C ATOM 674 CD LYS A 44 -6.775 -5.601 -11.384 1.00 0.00 C ATOM 675 CE LYS A 44 -8.212 -5.147 -11.596 1.00 0.00 C ATOM 676 NZ LYS A 44 -9.118 -6.292 -11.887 1.00 0.00 N ATOM 0 H LYS A 44 -4.351 -4.066 -8.494 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.981 -6.599 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.789 -4.000 -10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.078 -5.394 -11.769 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.212 -3.902 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.899 -3.712 -11.910 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.422 -6.123 -12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.735 -6.313 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.562 -4.624 -10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.250 -4.435 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.087 -5.941 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.799 -6.777 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.102 -6.959 -11.089 1.00 0.00 H new ATOM 690 N GLU A 45 -1.930 -5.748 -8.958 1.00 0.00 N ATOM 691 CA GLU A 45 -0.562 -6.241 -8.866 1.00 0.00 C ATOM 692 C GLU A 45 -0.503 -7.516 -8.031 1.00 0.00 C ATOM 693 O GLU A 45 0.368 -8.361 -8.241 1.00 0.00 O ATOM 694 CB GLU A 45 0.362 -5.178 -8.266 1.00 0.00 C ATOM 695 CG GLU A 45 1.803 -5.639 -8.106 1.00 0.00 C ATOM 696 CD GLU A 45 2.472 -5.935 -9.434 1.00 0.00 C ATOM 697 OE1 GLU A 45 1.813 -5.776 -10.483 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.659 -6.326 -9.426 1.00 0.00 O ATOM 0 H GLU A 45 -2.106 -4.880 -8.451 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.220 -6.468 -9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.342 -4.292 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.025 -4.881 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.370 -4.870 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.827 -6.534 -7.484 1.00 0.00 H new ATOM 705 N PHE A 46 -1.427 -7.655 -7.083 1.00 0.00 N ATOM 706 CA PHE A 46 -1.448 -8.838 -6.229 1.00 0.00 C ATOM 707 C PHE A 46 -2.245 -9.981 -6.852 1.00 0.00 C ATOM 708 O PHE A 46 -1.764 -11.110 -6.923 1.00 0.00 O ATOM 709 CB PHE A 46 -2.002 -8.501 -4.844 1.00 0.00 C ATOM 710 CG PHE A 46 -0.995 -7.841 -3.944 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.213 -8.462 -3.674 1.00 0.00 C ATOM 712 CD2 PHE A 46 -1.257 -6.612 -3.364 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.143 -7.869 -2.843 1.00 0.00 C ATOM 714 CE2 PHE A 46 -0.328 -6.013 -2.532 1.00 0.00 C ATOM 715 CZ PHE A 46 0.874 -6.644 -2.272 1.00 0.00 C ATOM 0 H PHE A 46 -2.161 -6.974 -6.889 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.416 -9.173 -6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.865 -7.844 -4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.357 -9.416 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.430 -9.422 -4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.195 -6.116 -3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.081 -8.365 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.542 -5.053 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.601 -6.178 -1.623 1.00 0.00 H new ATOM 725 N ASP A 47 -3.462 -9.696 -7.294 1.00 0.00 N ATOM 726 CA ASP A 47 -4.304 -10.729 -7.891 1.00 0.00 C ATOM 727 C ASP A 47 -3.720 -11.232 -9.210 1.00 0.00 C ATOM 728 O ASP A 47 -4.041 -12.333 -9.659 1.00 0.00 O ATOM 729 CB ASP A 47 -5.730 -10.213 -8.117 1.00 0.00 C ATOM 730 CG ASP A 47 -5.799 -9.099 -9.144 1.00 0.00 C ATOM 731 OD1 ASP A 47 -5.295 -9.292 -10.270 1.00 0.00 O ATOM 732 OD2 ASP A 47 -6.377 -8.037 -8.828 1.00 0.00 O ATOM 0 H ASP A 47 -3.887 -8.770 -7.253 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.338 -11.562 -7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.363 -11.039 -8.442 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.135 -9.854 -7.171 1.00 0.00 H new ATOM 737 N LYS A 48 -2.876 -10.418 -9.838 1.00 0.00 N ATOM 738 CA LYS A 48 -2.269 -10.787 -11.113 1.00 0.00 C ATOM 739 C LYS A 48 -1.134 -11.802 -10.940 1.00 0.00 C ATOM 740 O LYS A 48 -0.692 -12.411 -11.914 1.00 0.00 O ATOM 741 CB LYS A 48 -1.749 -9.535 -11.823 1.00 0.00 C ATOM 742 CG LYS A 48 -1.065 -9.803 -13.159 1.00 0.00 C ATOM 743 CD LYS A 48 -2.030 -10.352 -14.202 1.00 0.00 C ATOM 744 CE LYS A 48 -2.172 -11.865 -14.112 1.00 0.00 C ATOM 745 NZ LYS A 48 -3.099 -12.397 -15.149 1.00 0.00 N ATOM 0 H LYS A 48 -2.598 -9.502 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.040 -11.261 -11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.583 -8.853 -11.987 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.045 -9.025 -11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.621 -8.879 -13.529 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.250 -10.512 -13.012 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.008 -9.888 -14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.680 -10.080 -15.198 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.193 -12.329 -14.228 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.539 -12.137 -13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.169 -13.430 -15.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.040 -11.973 -15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.736 -12.159 -16.094 1.00 0.00 H new ATOM 759 N LYS A 49 -0.655 -11.985 -9.708 1.00 0.00 N ATOM 760 CA LYS A 49 0.433 -12.930 -9.459 1.00 0.00 C ATOM 761 C LYS A 49 0.300 -13.596 -8.091 1.00 0.00 C ATOM 762 O LYS A 49 1.299 -13.841 -7.414 1.00 0.00 O ATOM 763 CB LYS A 49 1.795 -12.237 -9.560 1.00 0.00 C ATOM 764 CG LYS A 49 2.047 -11.554 -10.895 1.00 0.00 C ATOM 765 CD LYS A 49 1.511 -10.130 -10.913 1.00 0.00 C ATOM 766 CE LYS A 49 2.295 -9.228 -9.974 1.00 0.00 C ATOM 767 NZ LYS A 49 3.738 -9.167 -10.338 1.00 0.00 N ATOM 0 H LYS A 49 -0.998 -11.499 -8.879 1.00 0.00 H new ATOM 0 HA LYS A 49 0.365 -13.701 -10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.873 -11.496 -8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.579 -12.974 -9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.117 -11.542 -11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.576 -12.129 -11.692 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.562 -9.734 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.460 -10.132 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.872 -8.224 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.194 -9.592 -8.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.109 -8.218 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.265 -9.874 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.849 -9.366 -11.353 1.00 0.00 H new ATOM 781 N TYR A 50 -0.929 -13.901 -7.697 1.00 0.00 N ATOM 782 CA TYR A 50 -1.182 -14.552 -6.413 1.00 0.00 C ATOM 783 C TYR A 50 -2.544 -15.241 -6.398 1.00 0.00 C ATOM 784 O TYR A 50 -2.695 -16.285 -5.768 1.00 0.00 O ATOM 785 CB TYR A 50 -1.086 -13.548 -5.263 1.00 0.00 C ATOM 786 CG TYR A 50 0.318 -13.035 -5.023 1.00 0.00 C ATOM 787 CD1 TYR A 50 1.343 -13.906 -4.673 1.00 0.00 C ATOM 788 CD2 TYR A 50 0.620 -11.685 -5.148 1.00 0.00 C ATOM 789 CE1 TYR A 50 2.627 -13.445 -4.453 1.00 0.00 C ATOM 790 CE2 TYR A 50 1.902 -11.217 -4.929 1.00 0.00 C ATOM 791 CZ TYR A 50 2.902 -12.101 -4.583 1.00 0.00 C ATOM 792 OH TYR A 50 4.180 -11.638 -4.366 1.00 0.00 O ATOM 0 H TYR A 50 -1.767 -13.709 -8.245 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.414 -15.313 -6.276 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.742 -12.703 -5.474 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.454 -14.017 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.133 -14.960 -4.571 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.160 -10.989 -5.421 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.412 -14.135 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.119 -10.164 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 50 4.203 -10.667 -4.500 1.00 0.00 H new ATOM 802 N ASN A 51 -3.519 -14.640 -7.097 1.00 0.00 N ATOM 803 CA ASN A 51 -4.894 -15.161 -7.199 1.00 0.00 C ATOM 804 C ASN A 51 -5.885 -14.171 -6.593 1.00 0.00 C ATOM 805 O ASN A 51 -5.641 -13.617 -5.522 1.00 0.00 O ATOM 806 CB ASN A 51 -5.073 -16.533 -6.531 1.00 0.00 C ATOM 807 CG ASN A 51 -4.311 -17.659 -7.223 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.592 -17.346 -8.300 1.00 0.00 O flip ATOM 809 ND2 ASN A 51 -4.371 -18.809 -6.789 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.376 -13.771 -7.612 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.091 -15.290 -8.263 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.743 -16.468 -5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.134 -16.782 -6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.931 -19.013 -5.962 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.860 -19.558 -7.257 1.00 0.00 H new ATOM 816 N PRO A 52 -7.018 -13.928 -7.276 1.00 0.00 N ATOM 817 CA PRO A 52 -8.035 -12.993 -6.792 1.00 0.00 C ATOM 818 C PRO A 52 -8.675 -13.458 -5.478 1.00 0.00 C ATOM 819 O PRO A 52 -8.893 -14.652 -5.279 1.00 0.00 O ATOM 820 CB PRO A 52 -9.080 -12.967 -7.918 1.00 0.00 C ATOM 821 CG PRO A 52 -8.402 -13.562 -9.104 1.00 0.00 C ATOM 822 CD PRO A 52 -7.394 -14.532 -8.563 1.00 0.00 C ATOM 0 HA PRO A 52 -7.609 -12.014 -6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.966 -13.540 -7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.410 -11.949 -8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.120 -14.066 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.918 -12.791 -9.704 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.819 -15.527 -8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.536 -14.636 -9.227 1.00 0.00 H new ATOM 830 N THR A 53 -8.981 -12.510 -4.582 1.00 0.00 N ATOM 831 CA THR A 53 -8.723 -11.101 -4.825 1.00 0.00 C ATOM 832 C THR A 53 -8.341 -10.403 -3.539 1.00 0.00 C ATOM 833 O THR A 53 -8.769 -10.787 -2.454 1.00 0.00 O ATOM 834 CB THR A 53 -9.941 -10.423 -5.425 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.559 -11.254 -6.392 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.608 -9.110 -6.098 1.00 0.00 C ATOM 0 H THR A 53 -9.411 -12.705 -3.678 1.00 0.00 H new ATOM 0 HA THR A 53 -7.896 -11.031 -5.532 1.00 0.00 H new ATOM 0 HB THR A 53 -10.612 -10.234 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.342 -10.797 -6.764 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.517 -8.671 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.173 -8.427 -5.368 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.894 -9.284 -6.903 1.00 0.00 H new ATOM 844 N TRP A 54 -7.533 -9.375 -3.675 1.00 0.00 N ATOM 845 CA TRP A 54 -7.079 -8.619 -2.522 1.00 0.00 C ATOM 846 C TRP A 54 -7.795 -7.285 -2.420 1.00 0.00 C ATOM 847 O TRP A 54 -7.960 -6.573 -3.410 1.00 0.00 O ATOM 848 CB TRP A 54 -5.571 -8.426 -2.585 1.00 0.00 C ATOM 849 CG TRP A 54 -4.843 -9.730 -2.596 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.445 -10.446 -3.688 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.483 -10.502 -1.454 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.822 -11.604 -3.288 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.836 -11.661 -1.916 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.635 -10.311 -0.080 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -3.342 -12.632 -1.046 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -4.149 -11.274 0.782 1.00 0.00 C ATOM 857 CH2 TRP A 54 -3.505 -12.420 0.297 1.00 0.00 C ATOM 0 H TRP A 54 -7.175 -9.041 -4.570 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.320 -9.186 -1.623 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.315 -7.859 -3.480 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.244 -7.835 -1.729 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.597 -10.147 -4.715 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.416 -12.305 -3.908 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -5.123 -9.427 0.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.849 -13.518 -1.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.267 -11.142 1.847 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.129 -13.151 0.997 1.00 0.00 H new ATOM 868 N HIS A 55 -8.230 -6.962 -1.213 1.00 0.00 N ATOM 869 CA HIS A 55 -8.950 -5.716 -0.975 1.00 0.00 C ATOM 870 C HIS A 55 -8.034 -4.632 -0.409 1.00 0.00 C ATOM 871 O HIS A 55 -8.309 -4.068 0.648 1.00 0.00 O ATOM 872 CB HIS A 55 -10.123 -5.959 -0.027 1.00 0.00 C ATOM 873 CG HIS A 55 -11.142 -6.910 -0.573 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.847 -8.213 -0.916 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.460 -6.744 -0.833 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.939 -8.806 -1.366 1.00 0.00 C ATOM 877 NE2 HIS A 55 -12.931 -7.937 -1.325 1.00 0.00 N ATOM 0 H HIS A 55 -8.099 -7.541 -0.384 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.327 -5.364 -1.935 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.743 -6.349 0.917 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.606 -5.007 0.193 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.034 -5.842 -0.682 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.008 -9.828 -1.709 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.892 -8.121 -1.612 1.00 0.00 H new ATOM 886 N CYS A 56 -6.954 -4.336 -1.127 1.00 0.00 N ATOM 887 CA CYS A 56 -6.014 -3.308 -0.697 1.00 0.00 C ATOM 888 C CYS A 56 -6.588 -1.918 -0.954 1.00 0.00 C ATOM 889 O CYS A 56 -6.456 -1.369 -2.048 1.00 0.00 O ATOM 890 CB CYS A 56 -4.670 -3.471 -1.412 1.00 0.00 C ATOM 891 SG CYS A 56 -4.774 -3.406 -3.216 1.00 0.00 S ATOM 0 H CYS A 56 -6.710 -4.792 -2.006 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.849 -3.423 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.993 -2.688 -1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.229 -4.424 -1.119 1.00 0.00 H new ATOM 0 HG CYS A 56 -5.520 -2.402 -3.572 1.00 0.00 H new ATOM 897 N ILE A 57 -7.235 -1.359 0.063 1.00 0.00 N ATOM 898 CA ILE A 57 -7.842 -0.042 -0.042 1.00 0.00 C ATOM 899 C ILE A 57 -7.004 0.997 0.687 1.00 0.00 C ATOM 900 O ILE A 57 -6.143 0.656 1.495 1.00 0.00 O ATOM 901 CB ILE A 57 -9.263 -0.043 0.547 1.00 0.00 C ATOM 902 CG1 ILE A 57 -10.090 -1.167 -0.075 1.00 0.00 C ATOM 903 CG2 ILE A 57 -9.935 1.308 0.328 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.534 -1.178 0.373 1.00 0.00 C ATOM 0 H ILE A 57 -7.352 -1.803 0.974 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.893 0.211 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.196 -0.217 1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.056 -1.073 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.633 -2.124 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.939 1.288 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.351 2.088 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.996 1.515 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.058 -2.003 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.578 -1.303 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.008 -0.236 0.097 1.00 0.00 H new ATOM 916 N VAL A 58 -7.255 2.265 0.392 1.00 0.00 N ATOM 917 CA VAL A 58 -6.516 3.347 1.017 1.00 0.00 C ATOM 918 C VAL A 58 -7.461 4.354 1.678 1.00 0.00 C ATOM 919 O VAL A 58 -8.489 4.715 1.105 1.00 0.00 O ATOM 920 CB VAL A 58 -5.644 4.073 -0.025 1.00 0.00 C ATOM 921 CG1 VAL A 58 -6.507 4.863 -1.001 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.625 4.972 0.655 1.00 0.00 C ATOM 0 H VAL A 58 -7.964 2.567 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.878 2.910 1.786 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.100 3.320 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.868 5.366 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.182 4.184 -1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.089 5.605 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.021 5.474 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.143 5.717 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.979 4.371 1.295 1.00 0.00 H new ATOM 932 N GLY A 59 -7.113 4.807 2.882 1.00 0.00 N ATOM 933 CA GLY A 59 -7.953 5.769 3.579 1.00 0.00 C ATOM 934 C GLY A 59 -7.312 6.300 4.848 1.00 0.00 C ATOM 935 O GLY A 59 -6.657 5.558 5.578 1.00 0.00 O ATOM 0 H GLY A 59 -6.270 4.527 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.173 6.603 2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.905 5.300 3.827 1.00 0.00 H new ATOM 939 N ARG A 60 -7.510 7.588 5.113 1.00 0.00 N ATOM 940 CA ARG A 60 -6.953 8.224 6.299 1.00 0.00 C ATOM 941 C ARG A 60 -7.470 7.561 7.575 1.00 0.00 C ATOM 942 O ARG A 60 -6.813 6.686 8.141 1.00 0.00 O ATOM 943 CB ARG A 60 -7.285 9.720 6.292 1.00 0.00 C ATOM 944 CG ARG A 60 -6.797 10.457 7.525 1.00 0.00 C ATOM 945 CD ARG A 60 -7.168 11.936 7.498 1.00 0.00 C ATOM 946 NE ARG A 60 -8.615 12.148 7.475 1.00 0.00 N ATOM 947 CZ ARG A 60 -9.367 12.060 6.380 1.00 0.00 C ATOM 948 NH1 ARG A 60 -8.807 11.866 5.191 1.00 0.00 N ATOM 949 NH2 ARG A 60 -10.683 12.197 6.468 1.00 0.00 N ATOM 0 H ARG A 60 -8.055 8.213 4.519 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.870 8.102 6.280 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.843 10.177 5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.365 9.843 6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.223 9.994 8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.714 10.357 7.601 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.745 12.430 8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.721 12.404 6.621 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.078 12.378 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.793 11.783 5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.391 11.800 4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.118 12.370 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.260 12.130 5.630 1.00 0.00 H new ATOM 963 N SER A 61 -8.647 7.980 8.019 1.00 0.00 N ATOM 964 CA SER A 61 -9.254 7.428 9.224 1.00 0.00 C ATOM 965 C SER A 61 -10.733 7.136 8.996 1.00 0.00 C ATOM 966 O SER A 61 -11.595 7.619 9.732 1.00 0.00 O ATOM 967 CB SER A 61 -9.081 8.392 10.400 1.00 0.00 C ATOM 968 OG SER A 61 -7.709 8.608 10.690 1.00 0.00 O ATOM 0 H SER A 61 -9.203 8.703 7.562 1.00 0.00 H new ATOM 0 HA SER A 61 -8.749 6.492 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.560 9.343 10.167 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.582 7.989 11.280 1.00 0.00 H new ATOM 0 HG SER A 61 -7.628 9.229 11.444 1.00 0.00 H new ATOM 974 N GLY A 62 -11.017 6.348 7.967 1.00 0.00 N ATOM 975 CA GLY A 62 -12.392 6.003 7.649 1.00 0.00 C ATOM 976 C GLY A 62 -12.948 4.881 8.509 1.00 0.00 C ATOM 977 O GLY A 62 -14.056 4.404 8.265 1.00 0.00 O ATOM 0 H GLY A 62 -10.319 5.940 7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.018 6.887 7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.452 5.711 6.601 1.00 0.00 H new ATOM 981 N ASN A 63 -12.185 4.454 9.512 1.00 0.00 N ATOM 982 CA ASN A 63 -12.624 3.379 10.397 1.00 0.00 C ATOM 983 C ASN A 63 -12.796 2.080 9.615 1.00 0.00 C ATOM 984 O ASN A 63 -13.905 1.563 9.482 1.00 0.00 O ATOM 985 CB ASN A 63 -13.939 3.759 11.086 1.00 0.00 C ATOM 986 CG ASN A 63 -14.415 2.734 12.109 1.00 0.00 C ATOM 987 OD1 ASN A 63 -13.579 1.749 12.433 1.00 0.00 O flip ATOM 988 ND2 ASN A 63 -15.529 2.840 12.623 1.00 0.00 N flip ATOM 0 H ASN A 63 -11.264 4.834 9.731 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.860 3.227 11.160 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.814 4.722 11.581 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.712 3.888 10.328 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.145 3.607 12.352 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -15.836 2.161 13.320 1.00 0.00 H new ATOM 995 N PHE A 64 -11.687 1.562 9.099 1.00 0.00 N ATOM 996 CA PHE A 64 -11.706 0.325 8.326 1.00 0.00 C ATOM 997 C PHE A 64 -10.490 -0.542 8.638 1.00 0.00 C ATOM 998 O PHE A 64 -9.901 -1.149 7.745 1.00 0.00 O ATOM 999 CB PHE A 64 -11.767 0.639 6.824 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.655 1.526 6.310 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.577 1.880 7.114 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.694 2.004 5.009 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -8.570 2.691 6.628 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.688 2.814 4.522 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.626 3.158 5.333 1.00 0.00 C ATOM 0 H PHE A 64 -10.762 1.980 9.202 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.597 -0.235 8.608 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.747 -0.300 6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.722 1.117 6.607 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.527 1.517 8.130 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -11.522 1.739 4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.739 2.959 7.263 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.732 3.178 3.506 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.839 3.793 4.953 1.00 0.00 H new ATOM 1015 N GLY A 65 -10.119 -0.594 9.914 1.00 0.00 N ATOM 1016 CA GLY A 65 -8.976 -1.389 10.322 1.00 0.00 C ATOM 1017 C GLY A 65 -9.313 -2.392 11.410 1.00 0.00 C ATOM 1018 O GLY A 65 -8.653 -3.423 11.535 1.00 0.00 O ATOM 0 H GLY A 65 -10.590 -0.100 10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.581 -1.919 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.187 -0.726 10.677 1.00 0.00 H new ATOM 1022 N SER A 66 -10.337 -2.089 12.203 1.00 0.00 N ATOM 1023 CA SER A 66 -10.749 -2.974 13.285 1.00 0.00 C ATOM 1024 C SER A 66 -12.179 -3.461 13.085 1.00 0.00 C ATOM 1025 O SER A 66 -12.898 -3.720 14.053 1.00 0.00 O ATOM 1026 CB SER A 66 -10.623 -2.260 14.631 1.00 0.00 C ATOM 1027 OG SER A 66 -9.284 -1.863 14.874 1.00 0.00 O ATOM 0 H SER A 66 -10.895 -1.239 12.116 1.00 0.00 H new ATOM 0 HA SER A 66 -10.090 -3.842 13.277 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.273 -1.385 14.645 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.961 -2.920 15.430 1.00 0.00 H new ATOM 0 HG SER A 66 -9.230 -1.407 15.740 1.00 0.00 H new ATOM 1033 N TYR A 67 -12.589 -3.588 11.828 1.00 0.00 N ATOM 1034 CA TYR A 67 -13.936 -4.051 11.508 1.00 0.00 C ATOM 1035 C TYR A 67 -14.024 -4.509 10.055 1.00 0.00 C ATOM 1036 O TYR A 67 -15.083 -4.437 9.431 1.00 0.00 O ATOM 1037 CB TYR A 67 -14.954 -2.936 11.773 1.00 0.00 C ATOM 1038 CG TYR A 67 -16.404 -3.379 11.700 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -16.747 -4.719 11.524 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -17.433 -2.453 11.815 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -18.069 -5.115 11.463 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -18.758 -2.844 11.757 1.00 0.00 C ATOM 1043 CZ TYR A 67 -19.070 -4.174 11.580 1.00 0.00 C ATOM 1044 OH TYR A 67 -20.389 -4.567 11.521 1.00 0.00 O ATOM 0 H TYR A 67 -12.010 -3.378 11.015 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.166 -4.902 12.149 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.765 -2.515 12.761 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -14.795 -2.136 11.050 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -15.966 -5.460 11.434 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.194 -1.409 11.952 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -18.317 -6.157 11.324 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.545 -2.110 11.850 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.969 -3.783 11.621 1.00 0.00 H new ATOM 1054 N VAL A 68 -12.901 -4.980 9.518 1.00 0.00 N ATOM 1055 CA VAL A 68 -12.850 -5.449 8.140 1.00 0.00 C ATOM 1056 C VAL A 68 -12.488 -6.934 8.067 1.00 0.00 C ATOM 1057 O VAL A 68 -12.422 -7.512 6.982 1.00 0.00 O ATOM 1058 CB VAL A 68 -11.827 -4.644 7.322 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -11.858 -5.065 5.862 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -12.087 -3.152 7.459 1.00 0.00 C ATOM 0 H VAL A 68 -12.015 -5.046 10.018 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.845 -5.306 7.719 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.832 -4.854 7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.127 -4.484 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.616 -6.125 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.853 -4.889 5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.353 -2.599 6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.089 -2.922 7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.006 -2.863 8.507 1.00 0.00 H new ATOM 1070 N THR A 69 -12.255 -7.545 9.225 1.00 0.00 N ATOM 1071 CA THR A 69 -11.902 -8.961 9.297 1.00 0.00 C ATOM 1072 C THR A 69 -12.955 -9.825 8.638 1.00 0.00 C ATOM 1073 O THR A 69 -12.664 -10.569 7.702 1.00 0.00 O ATOM 1074 CB THR A 69 -11.719 -9.382 10.756 1.00 0.00 C ATOM 1075 OG1 THR A 69 -10.755 -8.564 11.396 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.270 -10.820 10.913 1.00 0.00 C ATOM 0 H THR A 69 -12.304 -7.079 10.131 1.00 0.00 H new ATOM 0 HA THR A 69 -10.964 -9.102 8.759 1.00 0.00 H new ATOM 0 HB THR A 69 -12.702 -9.271 11.213 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.653 -8.847 12.329 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.159 -11.053 11.972 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.013 -11.484 10.471 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.314 -10.960 10.409 1.00 0.00 H new ATOM 1084 N HIS A 70 -14.172 -9.750 9.147 1.00 0.00 N ATOM 1085 CA HIS A 70 -15.257 -10.560 8.616 1.00 0.00 C ATOM 1086 C HIS A 70 -14.879 -12.041 8.670 1.00 0.00 C ATOM 1087 O HIS A 70 -15.521 -12.883 8.041 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.579 -10.150 7.177 1.00 0.00 C ATOM 1089 CG HIS A 70 -16.712 -10.919 6.573 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -17.987 -10.918 7.099 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -16.759 -11.719 5.481 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -18.768 -11.683 6.357 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -18.048 -12.180 5.369 1.00 0.00 N ATOM 0 H HIS A 70 -14.434 -9.141 9.922 1.00 0.00 H new ATOM 0 HA HIS A 70 -16.144 -10.397 9.228 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.821 -9.087 7.157 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -14.690 -10.287 6.562 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -15.936 -11.951 4.821 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -19.818 -11.870 6.530 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.393 -12.805 4.640 1.00 0.00 H new ATOM 1102 N GLU A 71 -13.819 -12.347 9.428 1.00 0.00 N ATOM 1103 CA GLU A 71 -13.335 -13.714 9.575 1.00 0.00 C ATOM 1104 C GLU A 71 -12.748 -14.239 8.268 1.00 0.00 C ATOM 1105 O GLU A 71 -12.998 -15.381 7.881 1.00 0.00 O ATOM 1106 CB GLU A 71 -14.448 -14.647 10.069 1.00 0.00 C ATOM 1107 CG GLU A 71 -14.692 -14.579 11.571 1.00 0.00 C ATOM 1108 CD GLU A 71 -15.318 -13.273 12.024 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -15.681 -12.452 11.159 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -15.457 -13.078 13.250 1.00 0.00 O ATOM 0 H GLU A 71 -13.280 -11.656 9.950 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.543 -13.697 10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.373 -14.399 9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.195 -15.672 9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.341 -15.404 11.863 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.745 -14.719 12.092 1.00 0.00 H new ATOM 1117 N THR A 72 -11.951 -13.408 7.598 1.00 0.00 N ATOM 1118 CA THR A 72 -11.321 -13.808 6.350 1.00 0.00 C ATOM 1119 C THR A 72 -10.269 -14.899 6.616 1.00 0.00 C ATOM 1120 O THR A 72 -10.626 -16.056 6.837 1.00 0.00 O ATOM 1121 CB THR A 72 -10.727 -12.576 5.651 1.00 0.00 C ATOM 1122 OG1 THR A 72 -9.875 -12.957 4.584 1.00 0.00 O ATOM 1123 CG2 THR A 72 -9.956 -11.658 6.584 1.00 0.00 C ATOM 0 H THR A 72 -11.730 -12.459 7.900 1.00 0.00 H new ATOM 0 HA THR A 72 -12.064 -14.237 5.678 1.00 0.00 H new ATOM 0 HB THR A 72 -11.586 -12.021 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.976 -12.600 4.740 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.566 -10.810 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.620 -11.297 7.370 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.128 -12.207 7.033 1.00 0.00 H new ATOM 1131 N LYS A 73 -8.985 -14.536 6.624 1.00 0.00 N ATOM 1132 CA LYS A 73 -7.916 -15.500 6.896 1.00 0.00 C ATOM 1133 C LYS A 73 -6.553 -14.816 6.845 1.00 0.00 C ATOM 1134 O LYS A 73 -5.676 -15.089 7.665 1.00 0.00 O ATOM 1135 CB LYS A 73 -7.951 -16.685 5.918 1.00 0.00 C ATOM 1136 CG LYS A 73 -7.507 -16.351 4.502 1.00 0.00 C ATOM 1137 CD LYS A 73 -8.517 -15.479 3.781 1.00 0.00 C ATOM 1138 CE LYS A 73 -9.862 -16.174 3.640 1.00 0.00 C ATOM 1139 NZ LYS A 73 -9.751 -17.457 2.893 1.00 0.00 N ATOM 0 H LYS A 73 -8.660 -13.586 6.446 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.081 -15.893 7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.313 -17.479 6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.966 -17.080 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.545 -15.840 4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.359 -17.274 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.646 -14.544 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.135 -15.221 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.277 -16.365 4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.559 -15.513 3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.702 -17.796 2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.197 -17.307 2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.277 -18.166 3.489 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.390 -13.918 5.882 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.145 -13.176 5.718 1.00 0.00 C ATOM 1155 C HIS A 74 -5.447 -11.713 5.422 1.00 0.00 C ATOM 1156 O HIS A 74 -6.403 -11.406 4.711 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.307 -13.778 4.587 1.00 0.00 C ATOM 1158 CG HIS A 74 -3.919 -15.204 4.821 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -4.172 -16.322 4.100 1.00 0.00 N flip ATOM 1160 CD2 HIS A 74 -3.174 -15.614 5.907 1.00 0.00 C flip ATOM 1161 CE1 HIS A 74 -3.583 -17.373 4.756 1.00 0.00 C flip ATOM 1162 NE2 HIS A 74 -2.986 -16.920 5.844 1.00 0.00 N flip ATOM 0 H HIS A 74 -7.109 -13.684 5.198 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.575 -13.242 6.645 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.869 -13.712 3.655 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.404 -13.181 4.458 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.802 -14.967 6.688 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -3.604 -18.404 4.435 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.469 -17.482 6.520 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.644 -10.808 5.972 1.00 0.00 N ATOM 1172 CA PHE A 75 -4.866 -9.385 5.752 1.00 0.00 C ATOM 1173 C PHE A 75 -3.760 -8.532 6.361 1.00 0.00 C ATOM 1174 O PHE A 75 -2.855 -9.037 7.025 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.218 -8.973 6.339 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.350 -9.257 7.811 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -5.576 -8.575 8.738 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -7.247 -10.211 8.263 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -5.696 -8.842 10.089 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.371 -10.480 9.614 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.595 -9.794 10.527 1.00 0.00 C ATOM 0 H PHE A 75 -3.845 -11.031 6.565 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.860 -9.215 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.368 -7.907 6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.011 -9.496 5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.873 -7.828 8.401 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.856 -10.751 7.553 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.087 -8.306 10.802 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.074 -11.226 9.954 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.691 -10.002 11.582 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.855 -7.229 6.123 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.887 -6.269 6.638 1.00 0.00 C ATOM 1193 C ILE A 76 -3.490 -4.875 6.695 1.00 0.00 C ATOM 1194 O ILE A 76 -4.486 -4.584 6.031 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.597 -6.251 5.788 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.684 -5.082 6.175 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.934 -6.197 4.307 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.622 -5.059 5.412 1.00 0.00 C ATOM 0 H ILE A 76 -4.602 -6.810 5.570 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.624 -6.584 7.648 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.055 -7.175 5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.213 -4.145 6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.471 -5.135 7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.013 -6.185 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.523 -7.073 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.508 -5.294 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.218 -4.206 5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.172 -5.980 5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.418 -4.974 4.345 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.881 -4.023 7.502 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.354 -2.653 7.671 1.00 0.00 C ATOM 1212 C TYR A 77 -2.220 -1.749 8.136 1.00 0.00 C ATOM 1213 O TYR A 77 -1.760 -1.849 9.274 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.505 -2.631 8.679 1.00 0.00 C ATOM 1215 CG TYR A 77 -5.144 -1.273 8.870 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -5.555 -0.516 7.783 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -5.362 -0.765 10.145 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -6.162 0.714 7.957 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -5.964 0.465 10.328 1.00 0.00 C ATOM 1220 CZ TYR A 77 -6.364 1.198 9.232 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.974 2.419 9.411 1.00 0.00 O ATOM 0 H TYR A 77 -2.055 -4.254 8.054 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.712 -2.279 6.712 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.270 -3.336 8.354 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.135 -2.983 9.642 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.398 -0.894 6.783 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.056 -1.341 11.006 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.476 1.292 7.100 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.120 0.850 11.325 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.320 3.065 9.750 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.764 -0.868 7.247 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.672 0.044 7.580 1.00 0.00 C ATOM 1233 C PHE A 78 -1.046 1.494 7.289 1.00 0.00 C ATOM 1234 O PHE A 78 -2.074 1.770 6.671 1.00 0.00 O ATOM 1235 CB PHE A 78 0.602 -0.341 6.819 1.00 0.00 C ATOM 1236 CG PHE A 78 0.493 -0.206 5.325 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.389 1.041 4.729 1.00 0.00 C ATOM 1238 CD2 PHE A 78 0.503 -1.331 4.515 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.294 1.163 3.356 1.00 0.00 C ATOM 1240 CE2 PHE A 78 0.408 -1.215 3.140 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.304 0.035 2.561 1.00 0.00 C ATOM 0 H PHE A 78 -2.129 -0.767 6.300 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.483 -0.044 8.650 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.424 0.283 7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.859 -1.372 7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.382 1.928 5.345 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.586 -2.310 4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.212 2.141 2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.415 -2.100 2.520 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.231 0.129 1.488 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.203 2.416 7.749 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.441 3.844 7.551 1.00 0.00 C ATOM 1253 C TYR A 79 0.741 4.522 6.871 1.00 0.00 C ATOM 1254 O TYR A 79 1.848 3.986 6.821 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.715 4.532 8.890 1.00 0.00 C ATOM 1256 CG TYR A 79 -2.008 4.112 9.550 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -2.246 2.784 9.884 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -2.991 5.048 9.843 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -3.427 2.403 10.491 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -4.174 4.676 10.451 1.00 0.00 C ATOM 1261 CZ TYR A 79 -4.386 3.353 10.772 1.00 0.00 C ATOM 1262 OH TYR A 79 -5.563 2.978 11.380 1.00 0.00 O ATOM 0 H TYR A 79 0.652 2.199 8.262 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.313 3.939 6.904 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.111 4.322 9.569 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.733 5.611 8.734 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.496 2.038 9.666 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.828 6.085 9.591 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.598 1.367 10.744 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.928 5.417 10.673 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.926 2.187 10.930 1.00 0.00 H new ATOM 1272 N LEU A 80 0.486 5.723 6.369 1.00 0.00 N ATOM 1273 CA LEU A 80 1.496 6.529 5.705 1.00 0.00 C ATOM 1274 C LEU A 80 1.287 7.982 6.082 1.00 0.00 C ATOM 1275 O LEU A 80 0.568 8.719 5.406 1.00 0.00 O ATOM 1276 CB LEU A 80 1.417 6.347 4.192 1.00 0.00 C ATOM 1277 CG LEU A 80 1.712 4.930 3.712 1.00 0.00 C ATOM 1278 CD1 LEU A 80 1.398 4.788 2.231 1.00 0.00 C ATOM 1279 CD2 LEU A 80 3.162 4.569 3.989 1.00 0.00 C ATOM 0 H LEU A 80 -0.432 6.165 6.412 1.00 0.00 H new ATOM 0 HA LEU A 80 2.488 6.210 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.420 6.631 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.121 7.032 3.719 1.00 0.00 H new ATOM 0 HG LEU A 80 1.073 4.240 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.616 3.770 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.344 5.005 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.009 5.487 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.357 3.555 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.817 5.265 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.353 4.628 5.060 1.00 0.00 H new ATOM 1291 N GLY A 81 1.901 8.376 7.186 1.00 0.00 N ATOM 1292 CA GLY A 81 1.753 9.736 7.668 1.00 0.00 C ATOM 1293 C GLY A 81 0.370 9.969 8.239 1.00 0.00 C ATOM 1294 O GLY A 81 0.200 10.093 9.453 1.00 0.00 O ATOM 0 H GLY A 81 2.499 7.780 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.503 9.937 8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.935 10.435 6.852 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.624 10.013 7.358 1.00 0.00 N ATOM 1299 CA GLN A 82 -2.010 10.214 7.770 1.00 0.00 C ATOM 1300 C GLN A 82 -2.940 9.196 7.110 1.00 0.00 C ATOM 1301 O GLN A 82 -4.045 8.955 7.595 1.00 0.00 O ATOM 1302 CB GLN A 82 -2.478 11.628 7.428 1.00 0.00 C ATOM 1303 CG GLN A 82 -1.679 12.719 8.122 1.00 0.00 C ATOM 1304 CD GLN A 82 -2.170 14.110 7.776 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -2.169 14.509 6.611 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -2.594 14.857 8.789 1.00 0.00 N ATOM 0 H GLN A 82 -0.496 9.912 6.351 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.050 10.074 8.850 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.413 11.772 6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.528 11.730 7.700 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.736 12.575 9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.629 12.628 7.843 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.577 14.485 9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.937 15.802 8.617 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.497 8.602 6.003 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.308 7.623 5.296 1.00 0.00 C ATOM 1317 C VAL A 83 -3.159 6.247 5.922 1.00 0.00 C ATOM 1318 O VAL A 83 -2.193 5.978 6.635 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.925 7.540 3.806 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.927 6.688 3.042 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.822 8.930 3.199 1.00 0.00 C ATOM 0 H VAL A 83 -1.586 8.783 5.581 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.344 7.952 5.375 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.947 7.065 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.639 6.642 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.941 5.681 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.920 7.130 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.551 8.848 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.782 9.438 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.059 9.502 3.727 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.120 5.379 5.649 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.097 4.028 6.181 1.00 0.00 C ATOM 1333 C ALA A 84 -4.641 3.041 5.160 1.00 0.00 C ATOM 1334 O ALA A 84 -5.838 3.017 4.882 1.00 0.00 O ATOM 1335 CB ALA A 84 -4.898 3.957 7.474 1.00 0.00 C ATOM 0 H ALA A 84 -4.927 5.588 5.061 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.063 3.758 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.873 2.939 7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.465 4.636 8.208 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.931 4.245 7.278 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.758 2.223 4.600 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.168 1.238 3.614 1.00 0.00 C ATOM 1343 C ILE A 85 -4.464 -0.095 4.272 1.00 0.00 C ATOM 1344 O ILE A 85 -3.827 -0.477 5.253 1.00 0.00 O ATOM 1345 CB ILE A 85 -3.109 1.057 2.503 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -3.257 2.169 1.469 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -3.234 -0.308 1.836 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -2.250 2.089 0.341 1.00 0.00 C ATOM 0 H ILE A 85 -2.760 2.224 4.812 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.079 1.614 3.149 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.120 1.114 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.263 2.132 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.155 3.133 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.475 -0.404 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.092 -1.091 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.224 -0.406 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.417 2.911 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.241 2.157 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.366 1.141 -0.184 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.437 -0.799 3.717 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.821 -2.099 4.249 1.00 0.00 C ATOM 1362 C LEU A 86 -5.966 -3.127 3.133 1.00 0.00 C ATOM 1363 O LEU A 86 -6.842 -3.012 2.278 1.00 0.00 O ATOM 1364 CB LEU A 86 -7.133 -2.003 5.040 1.00 0.00 C ATOM 1365 CG LEU A 86 -8.343 -1.486 4.255 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -9.614 -1.644 5.075 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -8.145 -0.029 3.867 1.00 0.00 C ATOM 0 H LEU A 86 -5.973 -0.496 2.904 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.028 -2.424 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.373 -2.991 5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.972 -1.349 5.897 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.439 -2.077 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.464 -1.272 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.767 -2.697 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.523 -1.076 6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.014 0.321 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.024 0.574 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.255 0.064 3.245 1.00 0.00 H new ATOM 1379 N LEU A 87 -5.104 -4.136 3.153 1.00 0.00 N ATOM 1380 CA LEU A 87 -5.133 -5.195 2.152 1.00 0.00 C ATOM 1381 C LEU A 87 -5.520 -6.515 2.802 1.00 0.00 C ATOM 1382 O LEU A 87 -4.978 -6.884 3.843 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.770 -5.305 1.458 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.620 -6.460 0.464 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.437 -6.212 -0.456 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.441 -7.782 1.199 1.00 0.00 C ATOM 0 H LEU A 87 -4.372 -4.243 3.856 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.880 -4.952 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.575 -4.370 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.001 -5.407 2.223 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.529 -6.517 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.342 -7.041 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.593 -5.285 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.526 -6.132 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.336 -8.590 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.547 -7.734 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.311 -7.969 1.828 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.465 -7.222 2.195 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.918 -8.493 2.738 1.00 0.00 C ATOM 1400 C PHE A 88 -7.560 -9.364 1.662 1.00 0.00 C ATOM 1401 O PHE A 88 -8.094 -8.861 0.673 1.00 0.00 O ATOM 1402 CB PHE A 88 -7.923 -8.245 3.868 1.00 0.00 C ATOM 1403 CG PHE A 88 -9.205 -7.608 3.407 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -10.143 -8.341 2.697 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -9.469 -6.276 3.680 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -11.319 -7.760 2.270 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -10.645 -5.688 3.255 1.00 0.00 C ATOM 1408 CZ PHE A 88 -11.571 -6.431 2.549 1.00 0.00 C ATOM 0 H PHE A 88 -6.929 -6.938 1.332 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.048 -9.022 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.153 -9.194 4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.460 -7.606 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.951 -9.380 2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -8.748 -5.691 4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.041 -8.343 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.840 -4.649 3.475 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.491 -5.973 2.216 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.515 -10.673 1.877 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.096 -11.631 0.953 1.00 0.00 C ATOM 1420 C LYS A 89 -9.285 -12.322 1.607 1.00 0.00 C ATOM 1421 O LYS A 89 -9.126 -13.315 2.311 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.047 -12.663 0.544 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.598 -13.836 -0.240 1.00 0.00 C ATOM 1424 CD LYS A 89 -8.033 -13.399 -1.620 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.845 -12.920 -2.444 1.00 0.00 C ATOM 1426 NZ LYS A 89 -5.794 -13.969 -2.562 1.00 0.00 N ATOM 0 H LYS A 89 -7.076 -11.096 2.695 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.438 -11.106 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.282 -12.168 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.556 -13.040 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.839 -14.614 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.444 -14.271 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.522 -14.229 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.768 -12.598 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.185 -12.633 -3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.419 -12.029 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.930 -13.650 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.131 -14.849 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.587 -14.141 -3.566 1.00 0.00 H new ATOM 1440 N SER A 90 -10.470 -11.783 1.372 1.00 0.00 N ATOM 1441 CA SER A 90 -11.694 -12.340 1.944 1.00 0.00 C ATOM 1442 C SER A 90 -12.254 -13.463 1.079 1.00 0.00 C ATOM 1443 O SER A 90 -13.466 -13.666 1.013 1.00 0.00 O ATOM 1444 CB SER A 90 -12.744 -11.247 2.099 1.00 0.00 C ATOM 1445 OG SER A 90 -13.043 -10.643 0.852 1.00 0.00 O ATOM 0 H SER A 90 -10.615 -10.959 0.789 1.00 0.00 H new ATOM 0 HA SER A 90 -11.444 -12.753 2.922 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.652 -11.670 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.385 -10.490 2.796 1.00 0.00 H new ATOM 0 HG SER A 90 -13.720 -9.946 0.980 1.00 0.00 H new ATOM 1451 N GLY A 91 -11.365 -14.187 0.419 1.00 0.00 N ATOM 1452 CA GLY A 91 -11.783 -15.282 -0.435 1.00 0.00 C ATOM 1453 C GLY A 91 -12.156 -14.821 -1.830 1.00 0.00 C ATOM 1454 O GLY A 91 -11.257 -14.348 -2.558 1.00 0.00 O ATOM 1455 OXT GLY A 91 -13.345 -14.932 -2.195 1.00 0.00 O ATOM 0 H GLY A 91 -10.357 -14.037 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.978 -16.014 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.637 -15.786 0.018 1.00 0.00 H new TER 1459 GLY A 91