USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 792 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 4 GLN :FLIP amide:sc= -0.11 F(o=-1,f=-0.46) USER MOD Set 1.2: A 26 TYR OH : rot 80:sc= -0.352 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.199 (180deg=-0.886) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= 0.993 (180deg=0.455) USER MOD Single : A 7 THR OG1 : rot -74:sc= 1.02 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 1.27 K(o=1.3,f=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ -138:sc= -0.0859 (180deg=-1.62!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 30 CYS SG : rot -143:sc= -2.56! USER MOD Single : A 33 CYS SG : rot -104:sc= 1.12 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -164:sc= -2.05! (180deg=-2.49!) USER MOD Single : A 39 MET CE :methyl 164:sc= -7.11! (180deg=-9.19!) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0.461 (180deg=0.191) USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.13) USER MOD Single : A 47 TYR OH : rot -116:sc= -2.65! USER MOD Single : A 49 GLN : amide:sc= -0.442 K(o=-0.44,f=-2.3!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0328 K(o=-0.033,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.23) USER MOD Single : A 67 ASN :FLIP amide:sc= -4.84! C(o=-7.1!,f=-4.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -174:sc= -1.86 (180deg=-2.1!) USER MOD Single : A 74 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.86 F(o=-3.4!,f=-1.9) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= 1.18 (180deg=0.866) USER MOD Single : A 86 LYS NZ :NH3+ -150:sc= 2.47 (180deg=1.54) USER MOD Single : A 91 ASN : amide:sc= -2.07! C(o=-2.1!,f=-2.8!) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.0477 (180deg=-0.326) USER MOD Single : A 97 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.8!) USER MOD Single : A 102 ASN : amide:sc= -10.8! C(o=-11!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.964 -6.461 10.411 1.00 0.00 N ATOM 2 CA MET A 1 -5.242 -5.208 10.714 1.00 0.00 C ATOM 3 C MET A 1 -3.971 -5.116 9.887 1.00 0.00 C ATOM 4 O MET A 1 -3.231 -6.086 9.764 1.00 0.00 O ATOM 5 CB MET A 1 -4.903 -5.137 12.201 1.00 0.00 C ATOM 6 CG MET A 1 -4.079 -3.916 12.576 1.00 0.00 C ATOM 7 SD MET A 1 -3.895 -3.726 14.359 1.00 0.00 S ATOM 8 CE MET A 1 -5.595 -3.408 14.827 1.00 0.00 C ATOM 0 H1 MET A 1 -6.831 -6.510 10.984 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.215 -6.482 9.402 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.356 -7.275 10.634 1.00 0.00 H new ATOM 0 HA MET A 1 -5.888 -4.368 10.460 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.828 -5.132 12.777 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.356 -6.036 12.484 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.093 -3.993 12.119 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.551 -3.023 12.166 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.617 -2.863 15.771 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.080 -2.813 14.053 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.124 -4.354 14.942 1.00 0.00 H new ATOM 20 N VAL A 2 -3.722 -3.941 9.337 1.00 0.00 N ATOM 21 CA VAL A 2 -2.599 -3.727 8.440 1.00 0.00 C ATOM 22 C VAL A 2 -1.328 -3.346 9.207 1.00 0.00 C ATOM 23 O VAL A 2 -1.364 -2.534 10.133 1.00 0.00 O ATOM 24 CB VAL A 2 -2.976 -2.652 7.401 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.783 -2.251 6.563 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.096 -3.159 6.511 1.00 0.00 C ATOM 0 H VAL A 2 -4.291 -3.110 9.499 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.379 -4.660 7.921 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.317 -1.768 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.084 -1.492 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.003 -1.848 7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.400 -3.124 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.355 -2.393 5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.769 -4.060 5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.970 -3.389 7.121 1.00 0.00 H new ATOM 36 N THR A 3 -0.211 -3.948 8.802 1.00 0.00 N ATOM 37 CA THR A 3 1.062 -3.832 9.513 1.00 0.00 C ATOM 38 C THR A 3 1.803 -2.539 9.160 1.00 0.00 C ATOM 39 O THR A 3 1.736 -2.059 8.033 1.00 0.00 O ATOM 40 CB THR A 3 1.957 -5.045 9.187 1.00 0.00 C ATOM 41 OG1 THR A 3 1.184 -6.251 9.259 1.00 0.00 O ATOM 42 CG2 THR A 3 3.131 -5.141 10.149 1.00 0.00 C ATOM 0 H THR A 3 -0.163 -4.533 7.968 1.00 0.00 H new ATOM 0 HA THR A 3 0.839 -3.807 10.580 1.00 0.00 H new ATOM 0 HB THR A 3 2.349 -4.912 8.178 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.756 -7.019 9.050 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.742 -6.006 9.892 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.735 -4.236 10.078 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.759 -5.249 11.168 1.00 0.00 H new ATOM 50 N GLN A 4 2.502 -1.985 10.142 1.00 0.00 N ATOM 51 CA GLN A 4 3.206 -0.715 9.994 1.00 0.00 C ATOM 52 C GLN A 4 4.663 -0.926 9.556 1.00 0.00 C ATOM 53 O GLN A 4 5.415 -1.653 10.208 1.00 0.00 O ATOM 54 CB GLN A 4 3.186 0.013 11.338 1.00 0.00 C ATOM 55 CG GLN A 4 3.559 1.482 11.252 1.00 0.00 C ATOM 56 CD GLN A 4 2.485 2.301 10.574 1.00 0.00 C ATOM 57 OE1 GLN A 4 2.562 2.400 9.264 1.00 0.00 O flip ATOM 58 NE2 GLN A 4 1.587 2.835 11.222 1.00 0.00 N flip ATOM 0 H GLN A 4 2.598 -2.404 11.067 1.00 0.00 H new ATOM 0 HA GLN A 4 2.705 -0.127 9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.189 -0.073 11.771 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.874 -0.486 12.020 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.732 1.871 12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.495 1.587 10.703 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.562 2.735 12.237 1.00 0.00 H new ATOM 0 HE22 GLN A 4 0.867 3.378 10.745 1.00 0.00 H new ATOM 67 N PHE A 5 5.052 -0.297 8.451 1.00 0.00 N ATOM 68 CA PHE A 5 6.463 -0.227 8.051 1.00 0.00 C ATOM 69 C PHE A 5 7.136 0.936 8.764 1.00 0.00 C ATOM 70 O PHE A 5 6.465 1.875 9.191 1.00 0.00 O ATOM 71 CB PHE A 5 6.618 0.020 6.548 1.00 0.00 C ATOM 72 CG PHE A 5 6.358 -1.149 5.649 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.649 -2.442 6.046 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.858 -0.935 4.377 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.439 -3.502 5.188 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.643 -1.989 3.517 1.00 0.00 C ATOM 77 CZ PHE A 5 5.936 -3.273 3.922 1.00 0.00 C ATOM 0 H PHE A 5 4.412 0.174 7.812 1.00 0.00 H new ATOM 0 HA PHE A 5 6.917 -1.183 8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.942 0.826 6.263 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.632 0.374 6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.044 -2.623 7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.634 0.071 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.667 -4.509 5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.246 -1.810 2.529 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.772 -4.101 3.249 1.00 0.00 H new ATOM 87 N LYS A 6 8.453 0.878 8.894 1.00 0.00 N ATOM 88 CA LYS A 6 9.208 2.025 9.382 1.00 0.00 C ATOM 89 C LYS A 6 10.461 2.264 8.537 1.00 0.00 C ATOM 90 O LYS A 6 11.192 3.227 8.762 1.00 0.00 O ATOM 91 CB LYS A 6 9.573 1.846 10.857 1.00 0.00 C ATOM 92 CG LYS A 6 10.523 0.696 11.115 1.00 0.00 C ATOM 93 CD LYS A 6 10.642 0.379 12.596 1.00 0.00 C ATOM 94 CE LYS A 6 11.466 -0.876 12.818 1.00 0.00 C ATOM 95 NZ LYS A 6 10.919 -2.035 12.062 1.00 0.00 N ATOM 0 H LYS A 6 9.018 0.058 8.671 1.00 0.00 H new ATOM 0 HA LYS A 6 8.573 2.906 9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.024 2.768 11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.660 1.687 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.175 -0.189 10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.507 0.942 10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.104 1.219 13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.648 0.247 13.024 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.496 -0.694 12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.488 -1.113 13.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.312 -2.917 12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.883 -2.049 12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.179 -1.949 11.059 1.00 0.00 H new ATOM 109 N THR A 7 10.711 1.389 7.563 1.00 0.00 N ATOM 110 CA THR A 7 11.871 1.542 6.682 1.00 0.00 C ATOM 111 C THR A 7 11.538 1.175 5.237 1.00 0.00 C ATOM 112 O THR A 7 10.515 0.537 4.958 1.00 0.00 O ATOM 113 CB THR A 7 13.067 0.683 7.146 1.00 0.00 C ATOM 114 OG1 THR A 7 12.641 -0.659 7.393 1.00 0.00 O ATOM 115 CG2 THR A 7 13.715 1.257 8.396 1.00 0.00 C ATOM 0 H THR A 7 10.132 0.573 7.364 1.00 0.00 H new ATOM 0 HA THR A 7 12.146 2.595 6.733 1.00 0.00 H new ATOM 0 HB THR A 7 13.810 0.689 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.138 -0.693 8.233 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.553 0.627 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.075 2.265 8.189 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.983 1.291 9.202 1.00 0.00 H new ATOM 123 N ALA A 8 12.416 1.572 4.320 1.00 0.00 N ATOM 124 CA ALA A 8 12.236 1.275 2.908 1.00 0.00 C ATOM 125 C ALA A 8 12.588 -0.175 2.626 1.00 0.00 C ATOM 126 O ALA A 8 12.009 -0.803 1.742 1.00 0.00 O ATOM 127 CB ALA A 8 13.077 2.203 2.049 1.00 0.00 C ATOM 0 H ALA A 8 13.261 2.102 4.534 1.00 0.00 H new ATOM 0 HA ALA A 8 11.188 1.436 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.926 1.962 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.780 3.236 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.130 2.078 2.302 1.00 0.00 H new ATOM 133 N SER A 9 13.541 -0.701 3.387 1.00 0.00 N ATOM 134 CA SER A 9 13.887 -2.109 3.301 1.00 0.00 C ATOM 135 C SER A 9 12.663 -2.958 3.621 1.00 0.00 C ATOM 136 O SER A 9 12.389 -3.949 2.941 1.00 0.00 O ATOM 137 CB SER A 9 15.036 -2.427 4.257 1.00 0.00 C ATOM 138 OG SER A 9 16.161 -1.608 3.983 1.00 0.00 O ATOM 0 H SER A 9 14.085 -0.172 4.068 1.00 0.00 H new ATOM 0 HA SER A 9 14.215 -2.340 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.711 -2.274 5.286 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.313 -3.477 4.163 1.00 0.00 H new ATOM 0 HG SER A 9 16.884 -1.826 4.607 1.00 0.00 H new ATOM 144 N GLU A 10 11.926 -2.553 4.654 1.00 0.00 N ATOM 145 CA GLU A 10 10.647 -3.153 4.978 1.00 0.00 C ATOM 146 C GLU A 10 9.703 -3.152 3.781 1.00 0.00 C ATOM 147 O GLU A 10 9.074 -4.172 3.490 1.00 0.00 O ATOM 148 CB GLU A 10 10.029 -2.412 6.154 1.00 0.00 C ATOM 149 CG GLU A 10 10.532 -2.931 7.480 1.00 0.00 C ATOM 150 CD GLU A 10 10.099 -2.092 8.655 1.00 0.00 C ATOM 151 OE1 GLU A 10 8.882 -1.962 8.889 1.00 0.00 O ATOM 152 OE2 GLU A 10 10.981 -1.562 9.356 1.00 0.00 O ATOM 0 H GLU A 10 12.204 -1.801 5.284 1.00 0.00 H new ATOM 0 HA GLU A 10 10.812 -4.195 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.256 -1.349 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.944 -2.511 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.176 -3.951 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.621 -2.974 7.455 1.00 0.00 H new ATOM 159 N PHE A 11 9.613 -2.021 3.077 1.00 0.00 N ATOM 160 CA PHE A 11 8.760 -1.939 1.892 1.00 0.00 C ATOM 161 C PHE A 11 9.158 -3.011 0.879 1.00 0.00 C ATOM 162 O PHE A 11 8.358 -3.884 0.542 1.00 0.00 O ATOM 163 CB PHE A 11 8.833 -0.537 1.257 1.00 0.00 C ATOM 164 CG PHE A 11 7.865 -0.315 0.118 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.055 -0.938 -1.104 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.773 0.529 0.266 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.180 -0.730 -2.151 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.891 0.742 -0.785 1.00 0.00 C ATOM 169 CZ PHE A 11 6.099 0.110 -1.992 1.00 0.00 C ATOM 0 H PHE A 11 10.113 -1.161 3.303 1.00 0.00 H new ATOM 0 HA PHE A 11 7.729 -2.115 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.643 0.208 2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.847 -0.369 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.900 -1.596 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.607 1.026 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.343 -1.226 -3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.045 1.401 -0.657 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.416 0.273 -2.812 1.00 0.00 H new ATOM 179 N ASP A 12 10.406 -2.958 0.436 1.00 0.00 N ATOM 180 CA ASP A 12 10.917 -3.884 -0.583 1.00 0.00 C ATOM 181 C ASP A 12 10.843 -5.335 -0.117 1.00 0.00 C ATOM 182 O ASP A 12 10.734 -6.249 -0.937 1.00 0.00 O ATOM 183 CB ASP A 12 12.362 -3.544 -0.950 1.00 0.00 C ATOM 184 CG ASP A 12 12.492 -2.220 -1.672 1.00 0.00 C ATOM 185 OD1 ASP A 12 11.836 -2.038 -2.720 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.271 -1.366 -1.208 1.00 0.00 O ATOM 0 H ASP A 12 11.094 -2.280 0.765 1.00 0.00 H new ATOM 0 HA ASP A 12 10.282 -3.770 -1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.965 -3.518 -0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.767 -4.336 -1.579 1.00 0.00 H new ATOM 191 N SER A 13 10.909 -5.544 1.192 1.00 0.00 N ATOM 192 CA SER A 13 10.821 -6.881 1.764 1.00 0.00 C ATOM 193 C SER A 13 9.447 -7.479 1.486 1.00 0.00 C ATOM 194 O SER A 13 9.328 -8.635 1.078 1.00 0.00 O ATOM 195 CB SER A 13 11.083 -6.829 3.275 1.00 0.00 C ATOM 196 OG SER A 13 11.087 -8.125 3.847 1.00 0.00 O ATOM 0 H SER A 13 11.024 -4.800 1.880 1.00 0.00 H new ATOM 0 HA SER A 13 11.579 -7.513 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.041 -6.345 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.318 -6.220 3.757 1.00 0.00 H new ATOM 0 HG SER A 13 11.258 -8.057 4.810 1.00 0.00 H new ATOM 202 N ALA A 14 8.414 -6.673 1.685 1.00 0.00 N ATOM 203 CA ALA A 14 7.048 -7.093 1.436 1.00 0.00 C ATOM 204 C ALA A 14 6.799 -7.274 -0.055 1.00 0.00 C ATOM 205 O ALA A 14 5.860 -7.949 -0.466 1.00 0.00 O ATOM 206 CB ALA A 14 6.075 -6.086 2.023 1.00 0.00 C ATOM 0 H ALA A 14 8.501 -5.714 2.022 1.00 0.00 H new ATOM 0 HA ALA A 14 6.890 -8.056 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.053 -6.412 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.234 -6.010 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.238 -5.112 1.563 1.00 0.00 H new ATOM 212 N ILE A 15 7.646 -6.653 -0.856 1.00 0.00 N ATOM 213 CA ILE A 15 7.544 -6.737 -2.303 1.00 0.00 C ATOM 214 C ILE A 15 8.094 -8.066 -2.817 1.00 0.00 C ATOM 215 O ILE A 15 7.533 -8.674 -3.726 1.00 0.00 O ATOM 216 CB ILE A 15 8.335 -5.602 -2.978 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.955 -4.234 -2.425 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.125 -5.607 -4.473 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.466 -4.003 -2.302 1.00 0.00 C ATOM 0 H ILE A 15 8.421 -6.079 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 15 6.486 -6.653 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 15 9.387 -5.785 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.412 -4.113 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.378 -3.464 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.696 -4.795 -4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.462 -6.559 -4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.066 -5.471 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.284 -3.006 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.002 -4.089 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.036 -4.747 -1.632 1.00 0.00 H new ATOM 231 N ALA A 16 9.175 -8.518 -2.196 1.00 0.00 N ATOM 232 CA ALA A 16 9.992 -9.610 -2.731 1.00 0.00 C ATOM 233 C ALA A 16 9.427 -10.999 -2.428 1.00 0.00 C ATOM 234 O ALA A 16 10.136 -11.999 -2.554 1.00 0.00 O ATOM 235 CB ALA A 16 11.414 -9.493 -2.200 1.00 0.00 C ATOM 0 H ALA A 16 9.513 -8.143 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 16 9.984 -9.508 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.020 -10.306 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.840 -8.538 -2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.402 -9.550 -1.112 1.00 0.00 H new ATOM 241 N GLN A 17 8.176 -11.066 -2.010 1.00 0.00 N ATOM 242 CA GLN A 17 7.533 -12.335 -1.748 1.00 0.00 C ATOM 243 C GLN A 17 6.656 -12.758 -2.923 1.00 0.00 C ATOM 244 O GLN A 17 6.298 -11.941 -3.773 1.00 0.00 O ATOM 245 CB GLN A 17 6.710 -12.236 -0.473 1.00 0.00 C ATOM 246 CG GLN A 17 5.994 -10.922 -0.305 1.00 0.00 C ATOM 247 CD GLN A 17 5.288 -10.837 1.025 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.697 -11.459 2.005 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.242 -10.049 1.076 1.00 0.00 N ATOM 0 H GLN A 17 7.585 -10.251 -1.845 1.00 0.00 H new ATOM 0 HA GLN A 17 8.302 -13.097 -1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.976 -13.042 -0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.366 -12.392 0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.710 -10.104 -0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.270 -10.797 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.937 -9.552 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.733 -9.933 1.952 1.00 0.00 H new ATOM 258 N ASP A 18 6.297 -14.036 -2.947 1.00 0.00 N ATOM 259 CA ASP A 18 5.581 -14.627 -4.080 1.00 0.00 C ATOM 260 C ASP A 18 4.074 -14.386 -3.996 1.00 0.00 C ATOM 261 O ASP A 18 3.278 -15.236 -4.395 1.00 0.00 O ATOM 262 CB ASP A 18 5.857 -16.139 -4.146 1.00 0.00 C ATOM 263 CG ASP A 18 5.214 -16.917 -3.005 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.707 -16.821 -1.860 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.219 -17.639 -3.250 1.00 0.00 O ATOM 0 H ASP A 18 6.490 -14.691 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 18 5.947 -14.141 -4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.489 -16.528 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.934 -16.306 -4.130 1.00 0.00 H new ATOM 270 N LYS A 19 3.676 -13.224 -3.511 1.00 0.00 N ATOM 271 CA LYS A 19 2.264 -12.927 -3.353 1.00 0.00 C ATOM 272 C LYS A 19 1.991 -11.455 -3.589 1.00 0.00 C ATOM 273 O LYS A 19 2.916 -10.659 -3.761 1.00 0.00 O ATOM 274 CB LYS A 19 1.767 -13.322 -1.961 1.00 0.00 C ATOM 275 CG LYS A 19 2.463 -12.597 -0.822 1.00 0.00 C ATOM 276 CD LYS A 19 1.706 -12.731 0.497 1.00 0.00 C ATOM 277 CE LYS A 19 1.600 -14.177 0.973 1.00 0.00 C ATOM 278 NZ LYS A 19 0.496 -14.923 0.306 1.00 0.00 N ATOM 0 H LYS A 19 4.305 -12.475 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 19 1.725 -13.513 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.696 -13.126 -1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.903 -14.396 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.471 -12.995 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.565 -11.542 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.208 -12.138 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.704 -12.317 0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.544 -14.688 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.442 -14.189 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.003 -15.506 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.171 -14.248 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.890 -15.536 -0.436 1.00 0.00 H new ATOM 292 N LEU A 20 0.716 -11.111 -3.596 1.00 0.00 N ATOM 293 CA LEU A 20 0.286 -9.740 -3.773 1.00 0.00 C ATOM 294 C LEU A 20 0.434 -8.991 -2.455 1.00 0.00 C ATOM 295 O LEU A 20 -0.063 -9.432 -1.417 1.00 0.00 O ATOM 296 CB LEU A 20 -1.177 -9.724 -4.246 1.00 0.00 C ATOM 297 CG LEU A 20 -1.677 -8.441 -4.925 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.727 -7.270 -3.956 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.806 -8.104 -6.125 1.00 0.00 C ATOM 0 H LEU A 20 -0.049 -11.776 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 20 0.902 -9.248 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.317 -10.552 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.814 -9.921 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.696 -8.625 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.086 -6.382 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.402 -7.507 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.728 -7.081 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.173 -7.192 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.223 -7.955 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.843 -8.923 -6.843 1.00 0.00 H new ATOM 311 N VAL A 21 1.138 -7.877 -2.494 1.00 0.00 N ATOM 312 CA VAL A 21 1.270 -7.035 -1.325 1.00 0.00 C ATOM 313 C VAL A 21 0.532 -5.716 -1.535 1.00 0.00 C ATOM 314 O VAL A 21 0.711 -5.045 -2.555 1.00 0.00 O ATOM 315 CB VAL A 21 2.753 -6.769 -0.977 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.493 -6.150 -2.152 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.865 -5.887 0.257 1.00 0.00 C ATOM 0 H VAL A 21 1.626 -7.536 -3.322 1.00 0.00 H new ATOM 0 HA VAL A 21 0.822 -7.565 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 21 3.222 -7.728 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.533 -5.975 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.453 -6.828 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.024 -5.203 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.916 -5.712 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.371 -4.934 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.388 -6.382 1.103 1.00 0.00 H new ATOM 327 N VAL A 22 -0.321 -5.369 -0.585 1.00 0.00 N ATOM 328 CA VAL A 22 -1.042 -4.114 -0.632 1.00 0.00 C ATOM 329 C VAL A 22 -0.346 -3.111 0.264 1.00 0.00 C ATOM 330 O VAL A 22 -0.456 -3.182 1.491 1.00 0.00 O ATOM 331 CB VAL A 22 -2.503 -4.275 -0.166 1.00 0.00 C ATOM 332 CG1 VAL A 22 -3.278 -2.978 -0.357 1.00 0.00 C ATOM 333 CG2 VAL A 22 -3.176 -5.417 -0.904 1.00 0.00 C ATOM 0 H VAL A 22 -0.530 -5.944 0.231 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.053 -3.769 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.497 -4.512 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.306 -3.116 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.809 -2.185 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.274 -2.704 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.206 -5.515 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.168 -5.213 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.639 -6.345 -0.707 1.00 0.00 H new ATOM 343 N VAL A 23 0.393 -2.199 -0.337 1.00 0.00 N ATOM 344 CA VAL A 23 1.106 -1.213 0.439 1.00 0.00 C ATOM 345 C VAL A 23 0.317 0.079 0.513 1.00 0.00 C ATOM 346 O VAL A 23 -0.138 0.617 -0.499 1.00 0.00 O ATOM 347 CB VAL A 23 2.517 -0.939 -0.098 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.235 0.018 0.829 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.302 -2.230 -0.230 1.00 0.00 C ATOM 0 H VAL A 23 0.513 -2.123 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 23 1.219 -1.628 1.440 1.00 0.00 H new ATOM 0 HB VAL A 23 2.435 -0.490 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.237 0.212 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.681 0.955 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.305 -0.423 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.299 -2.012 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.384 -2.707 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.788 -2.900 -0.919 1.00 0.00 H new ATOM 359 N ALA A 24 0.170 0.551 1.727 1.00 0.00 N ATOM 360 CA ALA A 24 -0.667 1.685 2.042 1.00 0.00 C ATOM 361 C ALA A 24 0.171 2.883 2.477 1.00 0.00 C ATOM 362 O ALA A 24 0.581 2.971 3.635 1.00 0.00 O ATOM 363 CB ALA A 24 -1.601 1.280 3.167 1.00 0.00 C ATOM 0 H ALA A 24 0.638 0.150 2.540 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.230 1.977 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.246 2.120 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.214 0.438 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.015 0.991 4.040 1.00 0.00 H new ATOM 369 N PHE A 25 0.441 3.795 1.561 1.00 0.00 N ATOM 370 CA PHE A 25 1.200 4.991 1.898 1.00 0.00 C ATOM 371 C PHE A 25 0.306 6.217 2.032 1.00 0.00 C ATOM 372 O PHE A 25 -0.606 6.439 1.237 1.00 0.00 O ATOM 373 CB PHE A 25 2.305 5.232 0.876 1.00 0.00 C ATOM 374 CG PHE A 25 3.600 4.605 1.284 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.643 3.283 1.684 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.769 5.341 1.290 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.828 2.702 2.076 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.958 4.766 1.682 1.00 0.00 C ATOM 379 CZ PHE A 25 5.986 3.443 2.075 1.00 0.00 C ATOM 0 H PHE A 25 0.150 3.734 0.585 1.00 0.00 H new ATOM 0 HA PHE A 25 1.659 4.822 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.998 4.831 -0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.448 6.305 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.735 2.698 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.751 6.377 0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.848 1.667 2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.867 5.349 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.917 2.990 2.382 1.00 0.00 H new ATOM 389 N TYR A 26 0.578 7.004 3.060 1.00 0.00 N ATOM 390 CA TYR A 26 -0.193 8.203 3.358 1.00 0.00 C ATOM 391 C TYR A 26 0.653 9.166 4.173 1.00 0.00 C ATOM 392 O TYR A 26 1.847 8.951 4.335 1.00 0.00 O ATOM 393 CB TYR A 26 -1.465 7.834 4.130 1.00 0.00 C ATOM 394 CG TYR A 26 -1.221 6.890 5.290 1.00 0.00 C ATOM 395 CD1 TYR A 26 -0.869 7.359 6.550 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.339 5.522 5.115 1.00 0.00 C ATOM 397 CE1 TYR A 26 -0.644 6.486 7.599 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.117 4.644 6.150 1.00 0.00 C ATOM 399 CZ TYR A 26 -0.769 5.127 7.395 1.00 0.00 C ATOM 400 OH TYR A 26 -0.542 4.249 8.433 1.00 0.00 O ATOM 0 H TYR A 26 1.341 6.830 3.714 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.480 8.684 2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.928 8.746 4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.176 7.375 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.770 8.422 6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.611 5.136 4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.372 6.866 8.573 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.215 3.581 5.989 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.334 4.211 9.008 1.00 0.00 H new ATOM 410 N ALA A 27 0.042 10.225 4.673 1.00 0.00 N ATOM 411 CA ALA A 27 0.738 11.178 5.522 1.00 0.00 C ATOM 412 C ALA A 27 -0.167 11.609 6.660 1.00 0.00 C ATOM 413 O ALA A 27 -1.340 11.903 6.446 1.00 0.00 O ATOM 414 CB ALA A 27 1.185 12.387 4.716 1.00 0.00 C ATOM 0 H ALA A 27 -0.939 10.448 4.505 1.00 0.00 H new ATOM 0 HA ALA A 27 1.625 10.697 5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.704 13.088 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.858 12.066 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.314 12.875 4.279 1.00 0.00 H new ATOM 420 N THR A 28 0.383 11.645 7.866 1.00 0.00 N ATOM 421 CA THR A 28 -0.389 11.956 9.060 1.00 0.00 C ATOM 422 C THR A 28 -0.835 13.416 9.088 1.00 0.00 C ATOM 423 O THR A 28 -1.765 13.775 9.808 1.00 0.00 O ATOM 424 CB THR A 28 0.427 11.642 10.323 1.00 0.00 C ATOM 425 OG1 THR A 28 1.769 12.111 10.149 1.00 0.00 O ATOM 426 CG2 THR A 28 0.437 10.146 10.603 1.00 0.00 C ATOM 0 H THR A 28 1.370 11.461 8.043 1.00 0.00 H new ATOM 0 HA THR A 28 -1.282 11.332 9.037 1.00 0.00 H new ATOM 0 HB THR A 28 -0.034 12.146 11.172 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.292 11.913 10.954 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.021 9.948 11.502 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.585 9.796 10.750 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.882 9.621 9.758 1.00 0.00 H new ATOM 434 N TRP A 29 -0.169 14.258 8.308 1.00 0.00 N ATOM 435 CA TRP A 29 -0.564 15.655 8.199 1.00 0.00 C ATOM 436 C TRP A 29 -1.675 15.812 7.167 1.00 0.00 C ATOM 437 O TRP A 29 -2.346 16.843 7.109 1.00 0.00 O ATOM 438 CB TRP A 29 0.638 16.544 7.836 1.00 0.00 C ATOM 439 CG TRP A 29 1.314 16.198 6.535 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.485 15.515 6.379 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.868 16.532 5.213 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.791 15.399 5.045 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.812 16.014 4.309 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.242 17.215 4.706 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.681 16.160 2.930 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.374 17.357 3.341 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.583 16.831 2.465 1.00 0.00 C ATOM 0 H TRP A 29 0.642 14.000 7.745 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.939 15.978 9.170 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.304 17.581 7.790 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.373 16.481 8.638 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.084 15.123 7.187 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.613 14.931 4.664 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.985 17.625 5.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.420 15.758 2.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.229 17.882 2.941 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.452 16.957 1.400 1.00 0.00 H new ATOM 458 N CYS A 30 -1.866 14.778 6.361 1.00 0.00 N ATOM 459 CA CYS A 30 -2.840 14.811 5.284 1.00 0.00 C ATOM 460 C CYS A 30 -4.198 14.344 5.799 1.00 0.00 C ATOM 461 O CYS A 30 -4.275 13.426 6.616 1.00 0.00 O ATOM 462 CB CYS A 30 -2.363 13.922 4.130 1.00 0.00 C ATOM 463 SG CYS A 30 -3.382 14.007 2.641 1.00 0.00 S ATOM 0 H CYS A 30 -1.354 13.899 6.435 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.943 15.832 4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.342 14.202 3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.332 12.888 4.474 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.453 12.829 2.096 1.00 0.00 H new ATOM 469 N GLY A 31 -5.258 14.983 5.325 1.00 0.00 N ATOM 470 CA GLY A 31 -6.598 14.666 5.789 1.00 0.00 C ATOM 471 C GLY A 31 -7.084 13.285 5.369 1.00 0.00 C ATOM 472 O GLY A 31 -7.373 12.445 6.227 1.00 0.00 O ATOM 0 H GLY A 31 -5.215 15.721 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.621 14.734 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.291 15.416 5.408 1.00 0.00 H new ATOM 476 N PRO A 32 -7.184 13.012 4.052 1.00 0.00 N ATOM 477 CA PRO A 32 -7.744 11.752 3.531 1.00 0.00 C ATOM 478 C PRO A 32 -6.900 10.505 3.822 1.00 0.00 C ATOM 479 O PRO A 32 -7.198 9.426 3.310 1.00 0.00 O ATOM 480 CB PRO A 32 -7.815 11.991 2.018 1.00 0.00 C ATOM 481 CG PRO A 32 -6.796 13.038 1.750 1.00 0.00 C ATOM 482 CD PRO A 32 -6.800 13.927 2.959 1.00 0.00 C ATOM 0 HA PRO A 32 -8.699 11.538 4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.599 11.078 1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.809 12.320 1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.812 12.596 1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.040 13.601 0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.821 14.373 3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.510 14.747 2.853 1.00 0.00 H new ATOM 490 N CYS A 33 -5.866 10.634 4.650 1.00 0.00 N ATOM 491 CA CYS A 33 -5.035 9.485 5.013 1.00 0.00 C ATOM 492 C CYS A 33 -5.886 8.425 5.706 1.00 0.00 C ATOM 493 O CYS A 33 -5.646 7.212 5.587 1.00 0.00 O ATOM 494 CB CYS A 33 -3.895 9.924 5.934 1.00 0.00 C ATOM 495 SG CYS A 33 -4.443 10.647 7.498 1.00 0.00 S ATOM 0 H CYS A 33 -5.584 11.515 5.080 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.607 9.061 4.104 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.262 9.062 6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.277 10.651 5.407 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.304 11.939 7.451 1.00 0.00 H new ATOM 501 N LYS A 34 -6.912 8.900 6.396 1.00 0.00 N ATOM 502 CA LYS A 34 -7.819 8.036 7.125 1.00 0.00 C ATOM 503 C LYS A 34 -8.642 7.166 6.186 1.00 0.00 C ATOM 504 O LYS A 34 -9.325 6.259 6.641 1.00 0.00 O ATOM 505 CB LYS A 34 -8.758 8.862 8.001 1.00 0.00 C ATOM 506 CG LYS A 34 -9.609 9.851 7.221 1.00 0.00 C ATOM 507 CD LYS A 34 -10.784 10.354 8.044 1.00 0.00 C ATOM 508 CE LYS A 34 -11.787 9.242 8.318 1.00 0.00 C ATOM 509 NZ LYS A 34 -12.996 9.744 9.016 1.00 0.00 N ATOM 0 H LYS A 34 -7.136 9.893 6.464 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.210 7.386 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.413 8.188 8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.168 9.406 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.994 10.696 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.978 9.376 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.421 10.760 8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.278 11.169 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.079 8.777 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.314 8.468 8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.653 8.955 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.721 10.165 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.462 10.464 8.428 1.00 0.00 H new ATOM 523 N MET A 35 -8.585 7.430 4.882 1.00 0.00 N ATOM 524 CA MET A 35 -9.345 6.632 3.935 1.00 0.00 C ATOM 525 C MET A 35 -8.576 5.352 3.651 1.00 0.00 C ATOM 526 O MET A 35 -9.150 4.274 3.479 1.00 0.00 O ATOM 527 CB MET A 35 -9.569 7.407 2.638 1.00 0.00 C ATOM 528 CG MET A 35 -10.970 7.253 2.059 1.00 0.00 C ATOM 529 SD MET A 35 -11.505 5.533 1.948 1.00 0.00 S ATOM 530 CE MET A 35 -12.894 5.680 0.828 1.00 0.00 C ATOM 0 H MET A 35 -8.029 8.178 4.467 1.00 0.00 H new ATOM 0 HA MET A 35 -10.320 6.395 4.360 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.376 8.464 2.820 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.842 7.074 1.897 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.675 7.807 2.678 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.997 7.701 1.066 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.500 4.775 0.879 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.501 6.539 1.112 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.528 5.815 -0.190 1.00 0.00 H new ATOM 540 N ILE A 36 -7.257 5.482 3.648 1.00 0.00 N ATOM 541 CA ILE A 36 -6.376 4.360 3.388 1.00 0.00 C ATOM 542 C ILE A 36 -6.298 3.448 4.599 1.00 0.00 C ATOM 543 O ILE A 36 -6.045 2.251 4.470 1.00 0.00 O ATOM 544 CB ILE A 36 -4.973 4.860 2.958 1.00 0.00 C ATOM 545 CG1 ILE A 36 -4.857 4.847 1.434 1.00 0.00 C ATOM 546 CG2 ILE A 36 -3.854 4.039 3.581 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.067 5.424 0.737 1.00 0.00 C ATOM 0 H ILE A 36 -6.773 6.363 3.825 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.787 3.776 2.564 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.863 5.882 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.973 5.412 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.707 3.821 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.891 4.427 3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.917 4.103 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.951 2.998 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.919 5.384 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.951 4.845 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.205 6.460 1.046 1.00 0.00 H new ATOM 559 N ALA A 37 -6.564 4.008 5.767 1.00 0.00 N ATOM 560 CA ALA A 37 -6.605 3.208 6.980 1.00 0.00 C ATOM 561 C ALA A 37 -7.627 2.050 6.876 1.00 0.00 C ATOM 562 O ALA A 37 -7.221 0.886 6.834 1.00 0.00 O ATOM 563 CB ALA A 37 -6.856 4.091 8.202 1.00 0.00 C ATOM 0 H ALA A 37 -6.753 5.001 5.901 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.628 2.742 7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.883 3.472 9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.055 4.825 8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.809 4.607 8.088 1.00 0.00 H new ATOM 569 N PRO A 38 -8.955 2.313 6.781 1.00 0.00 N ATOM 570 CA PRO A 38 -9.952 1.255 6.862 1.00 0.00 C ATOM 571 C PRO A 38 -10.203 0.551 5.532 1.00 0.00 C ATOM 572 O PRO A 38 -10.525 -0.632 5.520 1.00 0.00 O ATOM 573 CB PRO A 38 -11.221 1.982 7.333 1.00 0.00 C ATOM 574 CG PRO A 38 -10.917 3.446 7.253 1.00 0.00 C ATOM 575 CD PRO A 38 -9.607 3.585 6.527 1.00 0.00 C ATOM 0 HA PRO A 38 -9.623 0.460 7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.073 1.726 6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.480 1.693 8.352 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.709 3.976 6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.853 3.882 8.250 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.753 3.758 5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.021 4.422 6.908 1.00 0.00 H new ATOM 583 N MET A 39 -10.052 1.259 4.410 1.00 0.00 N ATOM 584 CA MET A 39 -10.353 0.670 3.113 1.00 0.00 C ATOM 585 C MET A 39 -9.354 -0.433 2.804 1.00 0.00 C ATOM 586 O MET A 39 -9.712 -1.493 2.290 1.00 0.00 O ATOM 587 CB MET A 39 -10.304 1.746 2.028 1.00 0.00 C ATOM 588 CG MET A 39 -10.226 1.181 0.629 1.00 0.00 C ATOM 589 SD MET A 39 -9.120 2.122 -0.433 1.00 0.00 S ATOM 590 CE MET A 39 -7.754 2.431 0.689 1.00 0.00 C ATOM 0 H MET A 39 -9.728 2.226 4.377 1.00 0.00 H new ATOM 0 HA MET A 39 -11.355 0.242 3.138 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.191 2.375 2.109 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.441 2.388 2.202 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.886 0.147 0.677 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.223 1.169 0.189 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.880 2.747 0.120 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.031 3.216 1.393 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.520 1.518 1.237 1.00 0.00 H new ATOM 600 N ILE A 40 -8.110 -0.177 3.154 1.00 0.00 N ATOM 601 CA ILE A 40 -7.032 -1.116 2.921 1.00 0.00 C ATOM 602 C ILE A 40 -7.089 -2.277 3.912 1.00 0.00 C ATOM 603 O ILE A 40 -6.860 -3.426 3.532 1.00 0.00 O ATOM 604 CB ILE A 40 -5.686 -0.371 2.978 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.236 0.012 1.578 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.605 -1.182 3.676 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.456 1.300 1.556 1.00 0.00 C ATOM 0 H ILE A 40 -7.818 0.688 3.608 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.141 -1.552 1.928 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.842 0.532 3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.622 -0.788 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.109 0.108 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.675 -0.613 3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.915 -1.397 4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.449 -2.118 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.158 1.528 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.077 2.108 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.567 1.198 2.178 1.00 0.00 H new ATOM 619 N GLU A 41 -7.421 -1.991 5.174 1.00 0.00 N ATOM 620 CA GLU A 41 -7.632 -3.066 6.141 1.00 0.00 C ATOM 621 C GLU A 41 -8.814 -3.927 5.708 1.00 0.00 C ATOM 622 O GLU A 41 -8.835 -5.137 5.935 1.00 0.00 O ATOM 623 CB GLU A 41 -7.864 -2.515 7.555 1.00 0.00 C ATOM 624 CG GLU A 41 -6.637 -1.856 8.162 1.00 0.00 C ATOM 625 CD GLU A 41 -6.697 -1.754 9.668 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.693 -1.218 10.201 1.00 0.00 O ATOM 627 OE2 GLU A 41 -5.731 -2.200 10.327 1.00 0.00 O ATOM 0 H GLU A 41 -7.547 -1.048 5.542 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.730 -3.677 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.677 -1.790 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.187 -3.329 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.751 -2.423 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.524 -0.857 7.741 1.00 0.00 H new ATOM 634 N LYS A 42 -9.775 -3.284 5.058 1.00 0.00 N ATOM 635 CA LYS A 42 -10.971 -3.948 4.557 1.00 0.00 C ATOM 636 C LYS A 42 -10.625 -4.973 3.473 1.00 0.00 C ATOM 637 O LYS A 42 -11.184 -6.074 3.452 1.00 0.00 O ATOM 638 CB LYS A 42 -11.944 -2.893 4.013 1.00 0.00 C ATOM 639 CG LYS A 42 -13.234 -3.461 3.450 1.00 0.00 C ATOM 640 CD LYS A 42 -14.146 -2.363 2.918 1.00 0.00 C ATOM 641 CE LYS A 42 -13.574 -1.700 1.670 1.00 0.00 C ATOM 642 NZ LYS A 42 -13.473 -2.650 0.529 1.00 0.00 N ATOM 0 H LYS A 42 -9.747 -2.283 4.863 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.443 -4.489 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.188 -2.194 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.442 -2.321 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.004 -4.163 2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.754 -4.022 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.125 -2.784 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.297 -1.610 3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.205 -0.858 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.586 -1.297 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.310 -2.120 -0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.681 -3.304 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.358 -3.191 0.448 1.00 0.00 H new ATOM 656 N PHE A 43 -9.695 -4.612 2.585 1.00 0.00 N ATOM 657 CA PHE A 43 -9.285 -5.505 1.494 1.00 0.00 C ATOM 658 C PHE A 43 -8.862 -6.870 2.035 1.00 0.00 C ATOM 659 O PHE A 43 -9.509 -7.882 1.755 1.00 0.00 O ATOM 660 CB PHE A 43 -8.127 -4.904 0.683 1.00 0.00 C ATOM 661 CG PHE A 43 -8.450 -3.589 0.046 1.00 0.00 C ATOM 662 CD1 PHE A 43 -9.733 -3.309 -0.388 1.00 0.00 C ATOM 663 CD2 PHE A 43 -7.467 -2.631 -0.112 1.00 0.00 C ATOM 664 CE1 PHE A 43 -10.029 -2.098 -0.971 1.00 0.00 C ATOM 665 CE2 PHE A 43 -7.757 -1.417 -0.692 1.00 0.00 C ATOM 666 CZ PHE A 43 -9.040 -1.152 -1.122 1.00 0.00 C ATOM 0 H PHE A 43 -9.213 -3.713 2.598 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.148 -5.627 0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.265 -4.777 1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.835 -5.611 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.511 -4.049 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.461 -2.837 0.223 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.034 -1.890 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.982 -0.674 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.270 -0.200 -1.578 1.00 0.00 H new ATOM 676 N SER A 44 -7.801 -6.904 2.839 1.00 0.00 N ATOM 677 CA SER A 44 -7.269 -8.171 3.309 1.00 0.00 C ATOM 678 C SER A 44 -8.136 -8.758 4.419 1.00 0.00 C ATOM 679 O SER A 44 -7.983 -9.923 4.783 1.00 0.00 O ATOM 680 CB SER A 44 -5.832 -8.016 3.781 1.00 0.00 C ATOM 681 OG SER A 44 -5.050 -7.323 2.821 1.00 0.00 O ATOM 0 H SER A 44 -7.302 -6.079 3.172 1.00 0.00 H new ATOM 0 HA SER A 44 -7.281 -8.865 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.813 -7.476 4.728 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.399 -8.999 3.966 1.00 0.00 H new ATOM 0 HG SER A 44 -4.104 -7.374 3.072 1.00 0.00 H new ATOM 687 N GLU A 45 -9.033 -7.950 4.972 1.00 0.00 N ATOM 688 CA GLU A 45 -10.009 -8.462 5.923 1.00 0.00 C ATOM 689 C GLU A 45 -10.908 -9.471 5.218 1.00 0.00 C ATOM 690 O GLU A 45 -11.394 -10.424 5.826 1.00 0.00 O ATOM 691 CB GLU A 45 -10.848 -7.329 6.518 1.00 0.00 C ATOM 692 CG GLU A 45 -11.806 -7.788 7.604 1.00 0.00 C ATOM 693 CD GLU A 45 -12.600 -6.650 8.207 1.00 0.00 C ATOM 694 OE1 GLU A 45 -12.063 -5.954 9.094 1.00 0.00 O ATOM 695 OE2 GLU A 45 -13.766 -6.455 7.805 1.00 0.00 O ATOM 0 H GLU A 45 -9.104 -6.951 4.781 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.481 -8.948 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.181 -6.572 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.418 -6.852 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.494 -8.524 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.242 -8.288 8.391 1.00 0.00 H new ATOM 702 N GLN A 46 -11.118 -9.253 3.924 1.00 0.00 N ATOM 703 CA GLN A 46 -11.876 -10.181 3.111 1.00 0.00 C ATOM 704 C GLN A 46 -10.957 -11.256 2.539 1.00 0.00 C ATOM 705 O GLN A 46 -11.310 -12.436 2.504 1.00 0.00 O ATOM 706 CB GLN A 46 -12.596 -9.439 1.983 1.00 0.00 C ATOM 707 CG GLN A 46 -13.580 -8.390 2.476 1.00 0.00 C ATOM 708 CD GLN A 46 -14.675 -8.979 3.345 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.729 -9.380 2.851 1.00 0.00 O ATOM 710 NE2 GLN A 46 -14.435 -9.036 4.646 1.00 0.00 N ATOM 0 H GLN A 46 -10.770 -8.437 3.420 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.625 -10.662 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.855 -8.958 1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.128 -10.162 1.365 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.042 -7.630 3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.031 -7.889 1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.549 -8.693 5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.136 -9.423 5.278 1.00 0.00 H new ATOM 719 N TYR A 47 -9.773 -10.846 2.102 1.00 0.00 N ATOM 720 CA TYR A 47 -8.808 -11.773 1.534 1.00 0.00 C ATOM 721 C TYR A 47 -7.401 -11.557 2.094 1.00 0.00 C ATOM 722 O TYR A 47 -6.612 -10.784 1.556 1.00 0.00 O ATOM 723 CB TYR A 47 -8.813 -11.660 0.011 1.00 0.00 C ATOM 724 CG TYR A 47 -8.927 -10.248 -0.513 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.824 -9.403 -0.587 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.152 -9.765 -0.938 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.948 -8.116 -1.072 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.283 -8.486 -1.422 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.180 -7.665 -1.489 1.00 0.00 C ATOM 730 OH TYR A 47 -9.311 -6.385 -1.965 1.00 0.00 O ATOM 0 H TYR A 47 -9.459 -9.876 2.131 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.107 -12.782 1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.896 -12.105 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.643 -12.248 -0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.858 -9.758 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.021 -10.405 -0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.085 -7.468 -1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.247 -8.126 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.900 -5.874 -1.371 1.00 0.00 H new ATOM 740 N PRO A 48 -7.060 -12.257 3.183 1.00 0.00 N ATOM 741 CA PRO A 48 -5.744 -12.141 3.819 1.00 0.00 C ATOM 742 C PRO A 48 -4.632 -12.786 2.990 1.00 0.00 C ATOM 743 O PRO A 48 -3.470 -12.809 3.401 1.00 0.00 O ATOM 744 CB PRO A 48 -5.924 -12.865 5.145 1.00 0.00 C ATOM 745 CG PRO A 48 -6.989 -13.870 4.878 1.00 0.00 C ATOM 746 CD PRO A 48 -7.926 -13.222 3.894 1.00 0.00 C ATOM 0 HA PRO A 48 -5.436 -11.101 3.930 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.998 -13.343 5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.218 -12.176 5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.567 -14.788 4.470 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.511 -14.140 5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.360 -13.952 3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.755 -12.724 4.396 1.00 0.00 H new ATOM 754 N GLN A 49 -5.000 -13.321 1.826 1.00 0.00 N ATOM 755 CA GLN A 49 -4.032 -13.928 0.913 1.00 0.00 C ATOM 756 C GLN A 49 -3.031 -12.887 0.418 1.00 0.00 C ATOM 757 O GLN A 49 -1.930 -13.222 -0.027 1.00 0.00 O ATOM 758 CB GLN A 49 -4.746 -14.591 -0.266 1.00 0.00 C ATOM 759 CG GLN A 49 -5.724 -13.674 -0.934 1.00 0.00 C ATOM 760 CD GLN A 49 -5.109 -12.804 -2.015 1.00 0.00 C ATOM 761 OE1 GLN A 49 -4.155 -13.200 -2.683 1.00 0.00 O ATOM 762 NE2 GLN A 49 -5.649 -11.609 -2.192 1.00 0.00 N ATOM 0 H GLN A 49 -5.964 -13.346 1.493 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.484 -14.696 1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.006 -14.921 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.268 -15.481 0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.525 -14.269 -1.372 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.180 -13.032 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.440 -11.317 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.275 -10.980 -2.903 1.00 0.00 H new ATOM 771 N ALA A 50 -3.416 -11.624 0.530 1.00 0.00 N ATOM 772 CA ALA A 50 -2.537 -10.522 0.202 1.00 0.00 C ATOM 773 C ALA A 50 -1.973 -9.944 1.483 1.00 0.00 C ATOM 774 O ALA A 50 -2.598 -10.043 2.542 1.00 0.00 O ATOM 775 CB ALA A 50 -3.291 -9.448 -0.562 1.00 0.00 C ATOM 0 H ALA A 50 -4.342 -11.340 0.849 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.726 -10.885 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.614 -8.628 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.689 -9.870 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.112 -9.075 0.050 1.00 0.00 H new ATOM 781 N ASP A 51 -0.803 -9.343 1.405 1.00 0.00 N ATOM 782 CA ASP A 51 -0.189 -8.797 2.599 1.00 0.00 C ATOM 783 C ASP A 51 -0.575 -7.350 2.790 1.00 0.00 C ATOM 784 O ASP A 51 -0.702 -6.593 1.830 1.00 0.00 O ATOM 785 CB ASP A 51 1.330 -8.935 2.585 1.00 0.00 C ATOM 786 CG ASP A 51 1.817 -9.996 3.553 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.058 -10.360 4.477 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.965 -10.461 3.404 1.00 0.00 O ATOM 0 H ASP A 51 -0.267 -9.221 0.546 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.565 -9.381 3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.661 -9.185 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.783 -7.977 2.841 1.00 0.00 H new ATOM 793 N PHE A 52 -0.755 -6.981 4.042 1.00 0.00 N ATOM 794 CA PHE A 52 -1.249 -5.666 4.401 1.00 0.00 C ATOM 795 C PHE A 52 -0.172 -4.840 5.094 1.00 0.00 C ATOM 796 O PHE A 52 0.282 -5.188 6.183 1.00 0.00 O ATOM 797 CB PHE A 52 -2.473 -5.820 5.310 1.00 0.00 C ATOM 798 CG PHE A 52 -2.432 -7.031 6.217 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.578 -7.082 7.309 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.258 -8.114 5.975 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.549 -8.187 8.136 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.234 -9.224 6.800 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.379 -9.260 7.881 1.00 0.00 C ATOM 0 H PHE A 52 -0.563 -7.585 4.841 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.532 -5.137 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.569 -4.925 5.924 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.367 -5.877 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.927 -6.246 7.515 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.931 -8.093 5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.878 -8.212 8.982 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.885 -10.062 6.597 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.359 -10.126 8.527 1.00 0.00 H new ATOM 813 N TYR A 53 0.241 -3.739 4.474 1.00 0.00 N ATOM 814 CA TYR A 53 1.266 -2.888 5.071 1.00 0.00 C ATOM 815 C TYR A 53 0.987 -1.406 4.842 1.00 0.00 C ATOM 816 O TYR A 53 0.596 -1.000 3.759 1.00 0.00 O ATOM 817 CB TYR A 53 2.643 -3.257 4.522 1.00 0.00 C ATOM 818 CG TYR A 53 3.108 -4.642 4.911 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.602 -4.895 6.182 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.052 -5.696 4.007 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.030 -6.156 6.543 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.478 -6.962 4.362 1.00 0.00 C ATOM 823 CZ TYR A 53 3.965 -7.185 5.631 1.00 0.00 C ATOM 824 OH TYR A 53 4.392 -8.443 5.988 1.00 0.00 O ATOM 0 H TYR A 53 -0.111 -3.418 3.572 1.00 0.00 H new ATOM 0 HA TYR A 53 1.247 -3.060 6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.621 -3.184 3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.371 -2.527 4.876 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.653 -4.091 6.902 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.670 -5.523 3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.414 -6.335 7.536 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.429 -7.771 3.649 1.00 0.00 H new ATOM 0 HH TYR A 53 4.278 -9.054 5.231 1.00 0.00 H new ATOM 834 N LYS A 54 1.202 -0.619 5.889 1.00 0.00 N ATOM 835 CA LYS A 54 0.958 0.824 5.881 1.00 0.00 C ATOM 836 C LYS A 54 2.231 1.583 6.251 1.00 0.00 C ATOM 837 O LYS A 54 3.097 1.041 6.944 1.00 0.00 O ATOM 838 CB LYS A 54 -0.119 1.166 6.913 1.00 0.00 C ATOM 839 CG LYS A 54 -1.554 1.180 6.408 1.00 0.00 C ATOM 840 CD LYS A 54 -2.511 1.722 7.465 1.00 0.00 C ATOM 841 CE LYS A 54 -2.441 0.928 8.759 1.00 0.00 C ATOM 842 NZ LYS A 54 -3.235 1.561 9.846 1.00 0.00 N ATOM 0 H LYS A 54 1.555 -0.966 6.781 1.00 0.00 H new ATOM 0 HA LYS A 54 0.636 1.112 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.051 0.448 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.107 2.147 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.619 1.792 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.853 0.170 6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.273 2.766 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.530 1.696 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.808 -0.083 8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.401 0.840 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.160 0.987 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.869 2.517 10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.232 1.622 9.557 1.00 0.00 H new ATOM 856 N LEU A 55 2.350 2.823 5.780 1.00 0.00 N ATOM 857 CA LEU A 55 3.419 3.713 6.209 1.00 0.00 C ATOM 858 C LEU A 55 3.055 5.163 5.890 1.00 0.00 C ATOM 859 O LEU A 55 2.415 5.440 4.872 1.00 0.00 O ATOM 860 CB LEU A 55 4.734 3.309 5.531 1.00 0.00 C ATOM 861 CG LEU A 55 5.947 4.189 5.840 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.229 3.383 5.724 1.00 0.00 C ATOM 863 CD2 LEU A 55 5.988 5.367 4.887 1.00 0.00 C ATOM 0 H LEU A 55 1.713 3.233 5.097 1.00 0.00 H new ATOM 0 HA LEU A 55 3.550 3.629 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.970 2.285 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.578 3.306 4.452 1.00 0.00 H new ATOM 0 HG LEU A 55 5.859 4.559 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.083 4.023 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.203 2.554 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.323 2.993 4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.854 5.988 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.060 5.003 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.079 5.957 4.999 1.00 0.00 H new ATOM 875 N ASP A 56 3.451 6.089 6.760 1.00 0.00 N ATOM 876 CA ASP A 56 3.263 7.500 6.493 1.00 0.00 C ATOM 877 C ASP A 56 4.556 8.142 5.997 1.00 0.00 C ATOM 878 O ASP A 56 5.621 7.995 6.600 1.00 0.00 O ATOM 879 CB ASP A 56 2.756 8.241 7.731 1.00 0.00 C ATOM 880 CG ASP A 56 3.674 8.148 8.931 1.00 0.00 C ATOM 881 OD1 ASP A 56 3.588 7.153 9.683 1.00 0.00 O ATOM 882 OD2 ASP A 56 4.466 9.085 9.140 1.00 0.00 O ATOM 0 H ASP A 56 3.902 5.882 7.651 1.00 0.00 H new ATOM 0 HA ASP A 56 2.508 7.581 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.613 9.292 7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.779 7.843 8.004 1.00 0.00 H new ATOM 887 N VAL A 57 4.444 8.860 4.885 1.00 0.00 N ATOM 888 CA VAL A 57 5.578 9.532 4.269 1.00 0.00 C ATOM 889 C VAL A 57 5.994 10.747 5.097 1.00 0.00 C ATOM 890 O VAL A 57 7.100 11.267 4.957 1.00 0.00 O ATOM 891 CB VAL A 57 5.237 9.946 2.825 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.959 10.734 2.822 1.00 0.00 C ATOM 893 CG2 VAL A 57 6.360 10.741 2.175 1.00 0.00 C ATOM 0 H VAL A 57 3.564 8.991 4.387 1.00 0.00 H new ATOM 0 HA VAL A 57 6.418 8.838 4.237 1.00 0.00 H new ATOM 0 HB VAL A 57 5.111 9.039 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.715 11.028 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.153 10.121 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.080 11.625 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.074 11.010 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.546 11.647 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.266 10.136 2.148 1.00 0.00 H new ATOM 903 N ASP A 58 5.099 11.177 5.979 1.00 0.00 N ATOM 904 CA ASP A 58 5.389 12.277 6.892 1.00 0.00 C ATOM 905 C ASP A 58 6.613 11.945 7.735 1.00 0.00 C ATOM 906 O ASP A 58 7.497 12.781 7.929 1.00 0.00 O ATOM 907 CB ASP A 58 4.186 12.560 7.796 1.00 0.00 C ATOM 908 CG ASP A 58 4.492 13.593 8.865 1.00 0.00 C ATOM 909 OD1 ASP A 58 4.605 14.790 8.533 1.00 0.00 O ATOM 910 OD2 ASP A 58 4.631 13.207 10.045 1.00 0.00 O ATOM 0 H ASP A 58 4.165 10.780 6.081 1.00 0.00 H new ATOM 0 HA ASP A 58 5.594 13.171 6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.352 12.908 7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.867 11.633 8.272 1.00 0.00 H new ATOM 915 N GLU A 59 6.667 10.714 8.223 1.00 0.00 N ATOM 916 CA GLU A 59 7.820 10.254 8.972 1.00 0.00 C ATOM 917 C GLU A 59 8.869 9.653 8.036 1.00 0.00 C ATOM 918 O GLU A 59 10.065 9.907 8.190 1.00 0.00 O ATOM 919 CB GLU A 59 7.399 9.222 10.017 1.00 0.00 C ATOM 920 CG GLU A 59 8.505 8.851 10.988 1.00 0.00 C ATOM 921 CD GLU A 59 8.976 10.038 11.801 1.00 0.00 C ATOM 922 OE1 GLU A 59 8.315 10.375 12.805 1.00 0.00 O ATOM 923 OE2 GLU A 59 10.010 10.641 11.444 1.00 0.00 O ATOM 0 H GLU A 59 5.927 10.021 8.113 1.00 0.00 H new ATOM 0 HA GLU A 59 8.260 11.112 9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.550 9.612 10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.057 8.321 9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.149 8.071 11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.347 8.435 10.435 1.00 0.00 H new ATOM 930 N LEU A 60 8.428 8.864 7.059 1.00 0.00 N ATOM 931 CA LEU A 60 9.371 8.193 6.162 1.00 0.00 C ATOM 932 C LEU A 60 9.295 8.741 4.737 1.00 0.00 C ATOM 933 O LEU A 60 8.747 8.100 3.830 1.00 0.00 O ATOM 934 CB LEU A 60 9.147 6.676 6.151 1.00 0.00 C ATOM 935 CG LEU A 60 9.590 5.912 7.406 1.00 0.00 C ATOM 936 CD1 LEU A 60 10.975 6.356 7.848 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.587 6.075 8.535 1.00 0.00 C ATOM 0 H LEU A 60 7.444 8.675 6.868 1.00 0.00 H new ATOM 0 HA LEU A 60 10.369 8.398 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.085 6.489 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.674 6.259 5.293 1.00 0.00 H new ATOM 0 HG LEU A 60 9.635 4.853 7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.268 5.801 8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.691 6.164 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.961 7.422 8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.930 5.522 9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.492 7.131 8.788 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.618 5.689 8.219 1.00 0.00 H new ATOM 949 N GLY A 61 9.878 9.918 4.543 1.00 0.00 N ATOM 950 CA GLY A 61 9.888 10.542 3.235 1.00 0.00 C ATOM 951 C GLY A 61 10.731 9.775 2.235 1.00 0.00 C ATOM 952 O GLY A 61 10.285 9.500 1.118 1.00 0.00 O ATOM 0 H GLY A 61 10.347 10.454 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.866 10.616 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.270 11.559 3.324 1.00 0.00 H new ATOM 956 N ASP A 62 11.937 9.404 2.650 1.00 0.00 N ATOM 957 CA ASP A 62 12.879 8.701 1.777 1.00 0.00 C ATOM 958 C ASP A 62 12.316 7.372 1.323 1.00 0.00 C ATOM 959 O ASP A 62 12.611 6.901 0.225 1.00 0.00 O ATOM 960 CB ASP A 62 14.213 8.470 2.490 1.00 0.00 C ATOM 961 CG ASP A 62 14.946 9.753 2.816 1.00 0.00 C ATOM 962 OD1 ASP A 62 14.657 10.357 3.869 1.00 0.00 O ATOM 963 OD2 ASP A 62 15.825 10.157 2.026 1.00 0.00 O ATOM 0 H ASP A 62 12.290 9.578 3.591 1.00 0.00 H new ATOM 0 HA ASP A 62 13.044 9.331 0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.033 7.918 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.849 7.845 1.863 1.00 0.00 H new ATOM 968 N VAL A 63 11.502 6.775 2.171 1.00 0.00 N ATOM 969 CA VAL A 63 10.860 5.517 1.843 1.00 0.00 C ATOM 970 C VAL A 63 9.892 5.708 0.689 1.00 0.00 C ATOM 971 O VAL A 63 9.995 5.028 -0.320 1.00 0.00 O ATOM 972 CB VAL A 63 10.111 4.926 3.046 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.355 3.672 2.642 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.075 4.614 4.178 1.00 0.00 C ATOM 0 H VAL A 63 11.269 7.141 3.094 1.00 0.00 H new ATOM 0 HA VAL A 63 11.645 4.817 1.556 1.00 0.00 H new ATOM 0 HB VAL A 63 9.393 5.668 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.831 3.268 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.633 3.917 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.058 2.929 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.524 4.196 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.817 3.892 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.577 5.529 4.491 1.00 0.00 H new ATOM 984 N ALA A 64 8.971 6.654 0.830 1.00 0.00 N ATOM 985 CA ALA A 64 8.002 6.936 -0.219 1.00 0.00 C ATOM 986 C ALA A 64 8.695 7.288 -1.528 1.00 0.00 C ATOM 987 O ALA A 64 8.230 6.914 -2.606 1.00 0.00 O ATOM 988 CB ALA A 64 7.081 8.060 0.208 1.00 0.00 C ATOM 0 H ALA A 64 8.876 7.238 1.661 1.00 0.00 H new ATOM 0 HA ALA A 64 7.410 6.036 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.361 8.261 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.550 7.771 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.668 8.958 0.402 1.00 0.00 H new ATOM 994 N GLN A 65 9.821 7.984 -1.426 1.00 0.00 N ATOM 995 CA GLN A 65 10.588 8.368 -2.607 1.00 0.00 C ATOM 996 C GLN A 65 11.206 7.140 -3.261 1.00 0.00 C ATOM 997 O GLN A 65 11.395 7.094 -4.476 1.00 0.00 O ATOM 998 CB GLN A 65 11.675 9.375 -2.233 1.00 0.00 C ATOM 999 CG GLN A 65 11.126 10.689 -1.705 1.00 0.00 C ATOM 1000 CD GLN A 65 12.213 11.625 -1.218 1.00 0.00 C ATOM 1001 OE1 GLN A 65 12.585 11.610 -0.043 1.00 0.00 O ATOM 1002 NE2 GLN A 65 12.736 12.445 -2.114 1.00 0.00 N ATOM 0 H GLN A 65 10.223 8.294 -0.541 1.00 0.00 H new ATOM 0 HA GLN A 65 9.911 8.838 -3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.325 8.932 -1.479 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.292 9.574 -3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.554 11.181 -2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.434 10.486 -0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.402 12.428 -3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.474 13.095 -1.842 1.00 0.00 H new ATOM 1011 N LYS A 66 11.506 6.146 -2.439 1.00 0.00 N ATOM 1012 CA LYS A 66 12.004 4.867 -2.899 1.00 0.00 C ATOM 1013 C LYS A 66 10.922 4.122 -3.694 1.00 0.00 C ATOM 1014 O LYS A 66 11.220 3.288 -4.550 1.00 0.00 O ATOM 1015 CB LYS A 66 12.463 4.057 -1.667 1.00 0.00 C ATOM 1016 CG LYS A 66 11.950 2.629 -1.606 1.00 0.00 C ATOM 1017 CD LYS A 66 12.806 1.661 -2.404 1.00 0.00 C ATOM 1018 CE LYS A 66 14.213 1.553 -1.846 1.00 0.00 C ATOM 1019 NZ LYS A 66 14.920 0.360 -2.374 1.00 0.00 N ATOM 0 H LYS A 66 11.408 6.209 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 66 12.850 5.009 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.553 4.036 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.141 4.581 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.916 2.304 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.928 2.599 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.338 0.676 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.852 1.989 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.775 2.452 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.170 1.500 -0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.884 0.327 -1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.405 -0.500 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.967 0.415 -3.411 1.00 0.00 H new ATOM 1033 N ASN A 67 9.667 4.469 -3.434 1.00 0.00 N ATOM 1034 CA ASN A 67 8.536 3.704 -3.940 1.00 0.00 C ATOM 1035 C ASN A 67 7.828 4.423 -5.062 1.00 0.00 C ATOM 1036 O ASN A 67 6.977 3.835 -5.730 1.00 0.00 O ATOM 1037 CB ASN A 67 7.530 3.511 -2.832 1.00 0.00 C ATOM 1038 CG ASN A 67 8.132 2.952 -1.584 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.744 3.541 -0.479 1.00 0.00 O flip ATOM 1040 ND2 ASN A 67 8.962 2.047 -1.613 1.00 0.00 N flip ATOM 0 H ASN A 67 9.407 5.280 -2.872 1.00 0.00 H new ATOM 0 HA ASN A 67 8.926 2.755 -4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.061 4.468 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.741 2.843 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.226 1.625 -2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.387 1.717 -0.747 1.00 0.00 H new ATOM 1047 N GLU A 68 8.161 5.703 -5.228 1.00 0.00 N ATOM 1048 CA GLU A 68 7.534 6.561 -6.227 1.00 0.00 C ATOM 1049 C GLU A 68 6.174 7.082 -5.729 1.00 0.00 C ATOM 1050 O GLU A 68 5.310 7.471 -6.515 1.00 0.00 O ATOM 1051 CB GLU A 68 7.378 5.812 -7.557 1.00 0.00 C ATOM 1052 CG GLU A 68 6.924 6.666 -8.730 1.00 0.00 C ATOM 1053 CD GLU A 68 6.458 5.824 -9.895 1.00 0.00 C ATOM 1054 OE1 GLU A 68 5.310 5.338 -9.855 1.00 0.00 O ATOM 1055 OE2 GLU A 68 7.239 5.628 -10.851 1.00 0.00 O ATOM 0 H GLU A 68 8.875 6.173 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 68 8.182 7.422 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.333 5.352 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.661 5.003 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.114 7.322 -8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.745 7.307 -9.051 1.00 0.00 H new ATOM 1062 N VAL A 69 5.982 7.094 -4.417 1.00 0.00 N ATOM 1063 CA VAL A 69 4.784 7.694 -3.842 1.00 0.00 C ATOM 1064 C VAL A 69 5.111 9.082 -3.295 1.00 0.00 C ATOM 1065 O VAL A 69 6.030 9.246 -2.499 1.00 0.00 O ATOM 1066 CB VAL A 69 4.114 6.803 -2.748 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.117 5.941 -1.992 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.310 7.654 -1.772 1.00 0.00 C ATOM 0 H VAL A 69 6.632 6.700 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 69 4.051 7.782 -4.644 1.00 0.00 H new ATOM 0 HB VAL A 69 3.440 6.126 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.594 5.344 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.629 5.280 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.847 6.581 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.853 7.011 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.971 8.370 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.530 8.190 -2.313 1.00 0.00 H new ATOM 1078 N SER A 70 4.382 10.087 -3.767 1.00 0.00 N ATOM 1079 CA SER A 70 4.622 11.462 -3.346 1.00 0.00 C ATOM 1080 C SER A 70 3.321 12.160 -2.944 1.00 0.00 C ATOM 1081 O SER A 70 3.335 13.104 -2.155 1.00 0.00 O ATOM 1082 CB SER A 70 5.310 12.232 -4.474 1.00 0.00 C ATOM 1083 OG SER A 70 6.440 11.518 -4.953 1.00 0.00 O ATOM 0 H SER A 70 3.623 9.976 -4.439 1.00 0.00 H new ATOM 0 HA SER A 70 5.270 11.443 -2.470 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.606 12.398 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.619 13.214 -4.115 1.00 0.00 H new ATOM 0 HG SER A 70 6.866 12.026 -5.675 1.00 0.00 H new ATOM 1089 N ALA A 71 2.203 11.696 -3.491 1.00 0.00 N ATOM 1090 CA ALA A 71 0.898 12.247 -3.151 1.00 0.00 C ATOM 1091 C ALA A 71 0.213 11.359 -2.125 1.00 0.00 C ATOM 1092 O ALA A 71 0.566 10.186 -1.977 1.00 0.00 O ATOM 1093 CB ALA A 71 0.036 12.385 -4.396 1.00 0.00 C ATOM 0 H ALA A 71 2.175 10.938 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 71 1.037 13.239 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.935 12.798 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.526 13.051 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.102 11.405 -4.853 1.00 0.00 H new ATOM 1099 N MET A 72 -0.762 11.903 -1.411 1.00 0.00 N ATOM 1100 CA MET A 72 -1.420 11.148 -0.360 1.00 0.00 C ATOM 1101 C MET A 72 -2.935 11.175 -0.520 1.00 0.00 C ATOM 1102 O MET A 72 -3.512 12.180 -0.933 1.00 0.00 O ATOM 1103 CB MET A 72 -1.054 11.692 1.028 1.00 0.00 C ATOM 1104 CG MET A 72 0.437 11.856 1.265 1.00 0.00 C ATOM 1105 SD MET A 72 1.076 13.422 0.636 1.00 0.00 S ATOM 1106 CE MET A 72 2.804 13.280 1.073 1.00 0.00 C ATOM 0 H MET A 72 -1.110 12.853 -1.539 1.00 0.00 H new ATOM 0 HA MET A 72 -1.071 10.119 -0.447 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.540 12.658 1.166 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.458 11.021 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.640 11.789 2.334 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.969 11.033 0.787 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.315 14.216 0.846 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.894 13.066 2.138 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.259 12.471 0.501 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.595 10.052 -0.214 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.928 8.775 0.056 1.00 0.00 C ATOM 1118 C PRO A 73 -2.571 8.029 -1.235 1.00 0.00 C ATOM 1119 O PRO A 73 -3.056 8.372 -2.316 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.978 7.997 0.868 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.066 8.984 1.158 1.00 0.00 C ATOM 1122 CD PRO A 73 -5.039 9.931 -0.005 1.00 0.00 C ATOM 0 HA PRO A 73 -1.980 8.902 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.360 7.146 0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.549 7.603 1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.035 8.492 1.246 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.887 9.506 2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.553 9.530 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.506 10.888 0.228 1.00 0.00 H new ATOM 1130 N THR A 74 -1.728 7.014 -1.112 1.00 0.00 N ATOM 1131 CA THR A 74 -1.267 6.237 -2.255 1.00 0.00 C ATOM 1132 C THR A 74 -1.178 4.756 -1.909 1.00 0.00 C ATOM 1133 O THR A 74 -0.708 4.379 -0.838 1.00 0.00 O ATOM 1134 CB THR A 74 0.115 6.732 -2.755 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.022 7.997 -3.417 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.774 5.724 -3.698 1.00 0.00 C ATOM 0 H THR A 74 -1.344 6.706 -0.219 1.00 0.00 H new ATOM 0 HA THR A 74 -1.998 6.375 -3.051 1.00 0.00 H new ATOM 0 HB THR A 74 0.757 6.843 -1.882 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.059 8.720 -2.761 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.740 6.109 -4.025 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.919 4.778 -3.176 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.134 5.565 -4.566 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.644 3.933 -2.824 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.569 2.497 -2.683 1.00 0.00 C ATOM 1146 C LEU A 75 -0.606 1.937 -3.716 1.00 0.00 C ATOM 1147 O LEU A 75 -0.631 2.346 -4.877 1.00 0.00 O ATOM 1148 CB LEU A 75 -2.939 1.867 -2.899 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.056 2.353 -1.979 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -4.811 3.528 -2.592 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -4.993 1.205 -1.682 1.00 0.00 C ATOM 0 H LEU A 75 -2.087 4.243 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.221 2.265 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.241 2.049 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.843 0.788 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.614 2.708 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.599 3.849 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.121 4.354 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.253 3.222 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.792 1.548 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.422 0.835 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.441 0.402 -1.193 1.00 0.00 H new ATOM 1163 N LEU A 76 0.239 1.014 -3.304 1.00 0.00 N ATOM 1164 CA LEU A 76 1.158 0.373 -4.227 1.00 0.00 C ATOM 1165 C LEU A 76 1.073 -1.139 -4.112 1.00 0.00 C ATOM 1166 O LEU A 76 1.364 -1.714 -3.065 1.00 0.00 O ATOM 1167 CB LEU A 76 2.589 0.859 -3.986 1.00 0.00 C ATOM 1168 CG LEU A 76 3.098 1.884 -5.004 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.451 2.442 -4.586 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.192 1.252 -6.386 1.00 0.00 C ATOM 0 H LEU A 76 0.310 0.690 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 76 0.871 0.649 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.646 1.298 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.257 -0.003 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 76 2.387 2.709 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.790 3.167 -5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.359 2.929 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.174 1.629 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.555 1.991 -7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.882 0.409 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.206 0.903 -6.694 1.00 0.00 H new ATOM 1182 N LEU A 77 0.640 -1.769 -5.193 1.00 0.00 N ATOM 1183 CA LEU A 77 0.520 -3.216 -5.253 1.00 0.00 C ATOM 1184 C LEU A 77 1.732 -3.785 -5.972 1.00 0.00 C ATOM 1185 O LEU A 77 2.074 -3.335 -7.069 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.746 -3.628 -6.017 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.107 -3.475 -5.309 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.151 -2.283 -4.363 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.179 -3.331 -6.365 1.00 0.00 C ATOM 0 H LEU A 77 0.363 -1.292 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 77 0.459 -3.602 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.783 -3.047 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.636 -4.674 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.272 -4.362 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.133 -2.227 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.388 -2.401 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.963 -1.367 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.151 -3.221 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.974 -2.450 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.186 -4.217 -7.000 1.00 0.00 H new ATOM 1201 N PHE A 78 2.375 -4.765 -5.371 1.00 0.00 N ATOM 1202 CA PHE A 78 3.530 -5.402 -5.987 1.00 0.00 C ATOM 1203 C PHE A 78 3.385 -6.916 -5.969 1.00 0.00 C ATOM 1204 O PHE A 78 2.724 -7.472 -5.091 1.00 0.00 O ATOM 1205 CB PHE A 78 4.815 -5.009 -5.265 1.00 0.00 C ATOM 1206 CG PHE A 78 5.325 -3.629 -5.585 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.812 -2.512 -4.948 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.337 -3.456 -6.514 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.302 -1.252 -5.236 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.825 -2.199 -6.807 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.307 -1.096 -6.167 1.00 0.00 C ATOM 0 H PHE A 78 2.121 -5.140 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 78 3.583 -5.060 -7.021 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.646 -5.078 -4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.590 -5.734 -5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.022 -2.626 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.751 -4.318 -7.017 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.897 -0.388 -4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.612 -2.081 -7.537 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.687 -0.111 -6.394 1.00 0.00 H new ATOM 1221 N LYS A 79 3.993 -7.575 -6.948 1.00 0.00 N ATOM 1222 CA LYS A 79 4.031 -9.027 -6.982 1.00 0.00 C ATOM 1223 C LYS A 79 5.459 -9.482 -7.280 1.00 0.00 C ATOM 1224 O LYS A 79 6.050 -9.044 -8.257 1.00 0.00 O ATOM 1225 CB LYS A 79 3.063 -9.533 -8.055 1.00 0.00 C ATOM 1226 CG LYS A 79 2.774 -11.025 -8.013 1.00 0.00 C ATOM 1227 CD LYS A 79 1.876 -11.429 -9.175 1.00 0.00 C ATOM 1228 CE LYS A 79 1.654 -12.932 -9.242 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.811 -13.431 -8.123 1.00 0.00 N ATOM 0 H LYS A 79 4.467 -7.123 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 79 3.726 -9.437 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.121 -8.994 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.470 -9.285 -9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.709 -11.584 -8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.294 -11.282 -7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.914 -10.926 -9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.321 -11.088 -10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.180 -13.185 -10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.618 -13.440 -9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.689 -14.460 -8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.273 -13.215 -7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.119 -12.968 -8.156 1.00 0.00 H new ATOM 1243 N ASN A 80 6.012 -10.323 -6.405 1.00 0.00 N ATOM 1244 CA ASN A 80 7.372 -10.884 -6.553 1.00 0.00 C ATOM 1245 C ASN A 80 8.432 -9.851 -6.965 1.00 0.00 C ATOM 1246 O ASN A 80 9.202 -10.075 -7.899 1.00 0.00 O ATOM 1247 CB ASN A 80 7.407 -12.086 -7.521 1.00 0.00 C ATOM 1248 CG ASN A 80 6.819 -11.819 -8.899 1.00 0.00 C ATOM 1249 OD1 ASN A 80 5.569 -12.200 -9.094 1.00 0.00 O flip ATOM 1250 ND2 ASN A 80 7.501 -11.320 -9.797 1.00 0.00 N flip ATOM 0 H ASN A 80 5.531 -10.642 -5.564 1.00 0.00 H new ATOM 0 HA ASN A 80 7.633 -11.228 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.442 -12.407 -7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.866 -12.916 -7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.463 -11.038 -9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.103 -11.190 -10.727 1.00 0.00 H new ATOM 1257 N GLY A 81 8.485 -8.733 -6.255 1.00 0.00 N ATOM 1258 CA GLY A 81 9.547 -7.759 -6.473 1.00 0.00 C ATOM 1259 C GLY A 81 9.266 -6.800 -7.613 1.00 0.00 C ATOM 1260 O GLY A 81 10.035 -5.867 -7.847 1.00 0.00 O ATOM 0 H GLY A 81 7.813 -8.479 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.698 -7.187 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.478 -8.288 -6.676 1.00 0.00 H new ATOM 1264 N LYS A 82 8.174 -7.014 -8.324 1.00 0.00 N ATOM 1265 CA LYS A 82 7.777 -6.117 -9.384 1.00 0.00 C ATOM 1266 C LYS A 82 6.411 -5.559 -9.054 1.00 0.00 C ATOM 1267 O LYS A 82 5.714 -6.116 -8.219 1.00 0.00 O ATOM 1268 CB LYS A 82 7.768 -6.835 -10.737 1.00 0.00 C ATOM 1269 CG LYS A 82 6.803 -8.011 -10.818 1.00 0.00 C ATOM 1270 CD LYS A 82 6.645 -8.514 -12.245 1.00 0.00 C ATOM 1271 CE LYS A 82 5.931 -7.501 -13.130 1.00 0.00 C ATOM 1272 NZ LYS A 82 4.539 -7.238 -12.674 1.00 0.00 N ATOM 0 H LYS A 82 7.547 -7.806 -8.183 1.00 0.00 H new ATOM 0 HA LYS A 82 8.495 -5.301 -9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.511 -6.116 -11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.775 -7.192 -10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.164 -8.822 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.830 -7.711 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.627 -8.732 -12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.085 -9.449 -12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.492 -6.567 -13.135 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.912 -7.867 -14.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.998 -6.799 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.088 -8.134 -12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.557 -6.596 -11.856 1.00 0.00 H new ATOM 1286 N GLU A 83 6.036 -4.455 -9.669 1.00 0.00 N ATOM 1287 CA GLU A 83 4.736 -3.856 -9.411 1.00 0.00 C ATOM 1288 C GLU A 83 3.626 -4.783 -9.910 1.00 0.00 C ATOM 1289 O GLU A 83 3.890 -5.904 -10.354 1.00 0.00 O ATOM 1290 CB GLU A 83 4.657 -2.488 -10.106 1.00 0.00 C ATOM 1291 CG GLU A 83 3.573 -1.563 -9.566 1.00 0.00 C ATOM 1292 CD GLU A 83 3.662 -0.164 -10.142 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.549 0.609 -9.715 1.00 0.00 O ATOM 1294 OE2 GLU A 83 2.847 0.166 -11.030 1.00 0.00 O ATOM 0 H GLU A 83 6.608 -3.954 -10.349 1.00 0.00 H new ATOM 0 HA GLU A 83 4.605 -3.713 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.622 -1.990 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.484 -2.646 -11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.594 -1.984 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.653 -1.511 -8.480 1.00 0.00 H new ATOM 1301 N VAL A 84 2.392 -4.347 -9.730 1.00 0.00 N ATOM 1302 CA VAL A 84 1.241 -4.913 -10.417 1.00 0.00 C ATOM 1303 C VAL A 84 0.156 -3.857 -10.549 1.00 0.00 C ATOM 1304 O VAL A 84 -0.684 -3.931 -11.448 1.00 0.00 O ATOM 1305 CB VAL A 84 0.657 -6.160 -9.730 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.357 -7.428 -10.193 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.754 -6.026 -8.234 1.00 0.00 C ATOM 0 H VAL A 84 2.157 -3.583 -9.097 1.00 0.00 H new ATOM 0 HA VAL A 84 1.597 -5.235 -11.396 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.393 -6.236 -10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.920 -8.290 -9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.235 -7.538 -11.271 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.418 -7.366 -9.952 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.337 -6.915 -7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.800 -5.918 -7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.196 -5.148 -7.910 1.00 0.00 H new ATOM 1317 N ALA A 85 0.179 -2.866 -9.652 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.753 -1.749 -9.717 1.00 0.00 C ATOM 1319 C ALA A 85 -0.382 -0.658 -8.727 1.00 0.00 C ATOM 1320 O ALA A 85 0.311 -0.905 -7.742 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.181 -2.219 -9.486 1.00 0.00 C ATOM 0 H ALA A 85 0.836 -2.820 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.688 -1.326 -10.719 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.858 -1.366 -9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.453 -2.947 -10.251 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.257 -2.681 -8.502 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.847 0.548 -9.005 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.584 1.701 -8.155 1.00 0.00 C ATOM 1329 C LYS A 86 -1.777 2.645 -8.199 1.00 0.00 C ATOM 1330 O LYS A 86 -2.312 2.923 -9.272 1.00 0.00 O ATOM 1331 CB LYS A 86 0.681 2.420 -8.624 1.00 0.00 C ATOM 1332 CG LYS A 86 1.031 3.656 -7.809 1.00 0.00 C ATOM 1333 CD LYS A 86 2.130 4.467 -8.477 1.00 0.00 C ATOM 1334 CE LYS A 86 2.559 5.646 -7.619 1.00 0.00 C ATOM 1335 NZ LYS A 86 3.456 6.571 -8.360 1.00 0.00 N ATOM 0 H LYS A 86 -1.417 0.757 -9.825 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.431 1.367 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.518 1.723 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.556 2.709 -9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.143 4.276 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.352 3.357 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.990 3.825 -8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.779 4.829 -9.443 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.677 6.189 -7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.070 5.280 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.108 7.031 -7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.002 6.035 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.886 7.295 -8.842 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.209 3.116 -7.037 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.391 3.964 -6.950 1.00 0.00 C ATOM 1351 C VAL A 87 -3.089 5.180 -6.088 1.00 0.00 C ATOM 1352 O VAL A 87 -2.352 5.082 -5.112 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.600 3.208 -6.350 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -5.889 3.977 -6.588 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.709 1.796 -6.912 1.00 0.00 C ATOM 0 H VAL A 87 -1.759 2.926 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.649 4.271 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.437 3.128 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.726 3.427 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.820 4.958 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.048 4.099 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.569 1.293 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.834 1.844 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.802 1.239 -6.676 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.653 6.319 -6.445 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.444 7.538 -5.685 1.00 0.00 C ATOM 1367 C VAL A 88 -4.778 8.026 -5.103 1.00 0.00 C ATOM 1368 O VAL A 88 -5.158 9.193 -5.219 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.763 8.621 -6.565 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -3.620 8.968 -7.774 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -2.414 9.864 -5.755 1.00 0.00 C ATOM 0 H VAL A 88 -4.260 6.426 -7.258 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.771 7.332 -4.852 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.827 8.202 -6.933 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.117 9.729 -8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.774 8.075 -8.380 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.585 9.349 -7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.939 10.600 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.324 10.288 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.729 9.594 -4.951 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.497 7.110 -4.470 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.773 7.448 -3.892 1.00 0.00 C ATOM 1383 C GLY A 89 -7.555 6.226 -3.478 1.00 0.00 C ATOM 1384 O GLY A 89 -7.684 5.275 -4.246 1.00 0.00 O ATOM 0 H GLY A 89 -5.215 6.137 -4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.618 8.089 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.355 8.022 -4.613 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.048 6.245 -2.254 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.843 5.163 -1.716 1.00 0.00 C ATOM 1390 C ALA A 90 -10.112 4.930 -2.516 1.00 0.00 C ATOM 1391 O ALA A 90 -11.010 5.774 -2.544 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.192 5.473 -0.284 1.00 0.00 C ATOM 0 H ALA A 90 -7.906 7.017 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.252 4.249 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.792 4.661 0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.277 5.580 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.760 6.402 -0.241 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.167 3.800 -3.188 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.358 3.406 -3.905 1.00 0.00 C ATOM 1400 C ASN A 91 -11.906 2.097 -3.344 1.00 0.00 C ATOM 1401 O ASN A 91 -11.511 1.015 -3.781 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.052 3.286 -5.390 1.00 0.00 C ATOM 1403 CG ASN A 91 -11.980 4.141 -6.228 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.275 3.816 -7.378 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -12.443 5.247 -5.659 1.00 0.00 N ATOM 0 H ASN A 91 -9.396 3.136 -3.252 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.125 4.170 -3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.020 3.584 -5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.143 2.244 -5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.068 5.864 -6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.174 5.480 -4.703 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.816 2.205 -2.355 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.395 1.075 -1.619 1.00 0.00 C ATOM 1414 C PRO A 92 -13.545 -0.220 -2.419 1.00 0.00 C ATOM 1415 O PRO A 92 -12.904 -1.229 -2.108 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.767 1.616 -1.239 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.551 3.076 -1.016 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.349 3.483 -1.842 1.00 0.00 C ATOM 0 HA PRO A 92 -12.750 0.778 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.495 1.440 -2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.149 1.131 -0.341 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.432 3.645 -1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.379 3.282 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.632 4.152 -2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.610 4.010 -1.238 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.397 -0.194 -3.432 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.704 -1.393 -4.194 1.00 0.00 C ATOM 1428 C ALA A 93 -13.703 -1.633 -5.313 1.00 0.00 C ATOM 1429 O ALA A 93 -13.221 -2.751 -5.493 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.117 -1.318 -4.748 1.00 0.00 C ATOM 0 H ALA A 93 -14.888 0.644 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.633 -2.241 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.333 -2.222 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.826 -1.228 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.206 -0.449 -5.400 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.382 -0.577 -6.051 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.534 -0.695 -7.234 1.00 0.00 C ATOM 1438 C ALA A 94 -11.142 -1.206 -6.896 1.00 0.00 C ATOM 1439 O ALA A 94 -10.513 -1.879 -7.710 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.439 0.638 -7.957 1.00 0.00 C ATOM 0 H ALA A 94 -13.696 0.373 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.002 -1.429 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.803 0.531 -8.836 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.435 0.956 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.011 1.385 -7.288 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.653 -0.899 -5.705 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.326 -1.351 -5.334 1.00 0.00 C ATOM 1448 C ILE A 95 -9.390 -2.755 -4.752 1.00 0.00 C ATOM 1449 O ILE A 95 -8.466 -3.540 -4.925 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.609 -0.402 -4.357 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.481 0.991 -4.966 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.230 -0.946 -4.013 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.707 1.957 -4.098 1.00 0.00 C ATOM 0 H ILE A 95 -11.142 -0.353 -4.996 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.735 -1.357 -6.250 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.201 -0.333 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.990 0.912 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.478 1.394 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.733 -0.266 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.331 -1.927 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.637 -1.036 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.654 2.928 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.209 2.065 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.698 1.576 -3.939 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.488 -3.090 -4.085 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.707 -4.473 -3.678 1.00 0.00 C ATOM 1467 C LYS A 96 -10.737 -5.356 -4.920 1.00 0.00 C ATOM 1468 O LYS A 96 -10.194 -6.461 -4.935 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.999 -4.617 -2.856 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.616 -6.005 -2.925 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.909 -6.090 -2.134 1.00 0.00 C ATOM 1472 CE LYS A 96 -15.068 -5.446 -2.879 1.00 0.00 C ATOM 1473 NZ LYS A 96 -15.423 -6.201 -4.112 1.00 0.00 N ATOM 0 H LYS A 96 -11.227 -2.439 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.888 -4.791 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.785 -4.375 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.727 -3.887 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.809 -6.265 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.906 -6.737 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.143 -7.135 -1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.779 -5.599 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.937 -5.393 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.805 -4.422 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.384 -5.942 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.749 -5.967 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.384 -7.222 -3.917 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.348 -4.829 -5.971 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.349 -5.475 -7.272 1.00 0.00 C ATOM 1489 C GLN A 97 -9.925 -5.540 -7.820 1.00 0.00 C ATOM 1490 O GLN A 97 -9.535 -6.522 -8.458 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.287 -4.701 -8.219 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.514 -5.348 -9.580 1.00 0.00 C ATOM 1493 CD GLN A 97 -11.400 -5.077 -10.571 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -10.745 -4.035 -10.520 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -11.187 -6.005 -11.489 1.00 0.00 N ATOM 0 H GLN A 97 -11.855 -3.944 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.716 -6.498 -7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.252 -4.578 -7.728 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.878 -3.702 -8.373 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.619 -6.425 -9.449 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.454 -4.984 -9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.752 -6.854 -11.496 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.458 -5.871 -12.190 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.134 -4.513 -7.521 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.760 -4.472 -7.964 1.00 0.00 C ATOM 1506 C ALA A 98 -6.995 -5.594 -7.309 1.00 0.00 C ATOM 1507 O ALA A 98 -6.519 -6.483 -7.993 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.124 -3.127 -7.656 1.00 0.00 C ATOM 0 H ALA A 98 -9.428 -3.704 -6.974 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.731 -4.601 -9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.090 -3.126 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.677 -2.338 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.148 -2.951 -6.581 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.939 -5.578 -5.982 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.163 -6.555 -5.214 1.00 0.00 C ATOM 1516 C ILE A 99 -6.498 -7.982 -5.654 1.00 0.00 C ATOM 1517 O ILE A 99 -5.660 -8.877 -5.600 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.422 -6.447 -3.690 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.540 -4.992 -3.241 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.308 -7.147 -2.929 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.483 -4.096 -3.821 1.00 0.00 C ATOM 0 H ILE A 99 -7.427 -4.892 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.115 -6.331 -5.411 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.372 -6.935 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.522 -4.612 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.483 -4.950 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.494 -7.069 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.276 -8.198 -3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.354 -6.677 -3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.630 -3.079 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.498 -4.451 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.553 -4.107 -4.909 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.734 -8.178 -6.102 1.00 0.00 N ATOM 1534 CA ALA A 100 -8.186 -9.485 -6.556 1.00 0.00 C ATOM 1535 C ALA A 100 -7.748 -9.769 -7.997 1.00 0.00 C ATOM 1536 O ALA A 100 -7.681 -10.925 -8.417 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.697 -9.579 -6.430 1.00 0.00 C ATOM 0 H ALA A 100 -8.441 -7.445 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.723 -10.241 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.030 -10.559 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.985 -9.440 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.162 -8.805 -7.041 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.437 -8.716 -8.748 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.048 -8.848 -10.139 1.00 0.00 C ATOM 1545 C ALA A 101 -5.544 -9.026 -10.257 1.00 0.00 C ATOM 1546 O ALA A 101 -5.052 -9.696 -11.166 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.487 -7.623 -10.926 1.00 0.00 C ATOM 0 H ALA A 101 -7.449 -7.755 -8.407 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.538 -9.730 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.189 -7.734 -11.969 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.571 -7.522 -10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.016 -6.734 -10.507 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.819 -8.410 -9.335 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.366 -8.459 -9.348 1.00 0.00 C ATOM 1555 C ASN A 102 -2.828 -9.611 -8.506 1.00 0.00 C ATOM 1556 O ASN A 102 -1.646 -9.947 -8.598 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.759 -7.117 -8.903 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.526 -6.394 -7.825 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -3.429 -6.709 -6.647 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.279 -5.383 -8.221 1.00 0.00 N ATOM 0 H ASN A 102 -5.215 -7.869 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.061 -8.641 -10.378 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.744 -7.295 -8.548 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -2.682 -6.464 -9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.802 -4.838 -7.536 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.337 -5.148 -9.212 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.695 -10.223 -7.710 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.306 -11.367 -6.894 1.00 0.00 C ATOM 1569 C ALA A 103 -3.022 -12.585 -7.764 1.00 0.00 C ATOM 1570 O ALA A 103 -1.832 -12.881 -8.006 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.384 -11.686 -5.869 1.00 0.00 C ATOM 1572 OXT ALA A 103 -3.988 -13.234 -8.217 1.00 0.00 O ATOM 0 H ALA A 103 -4.672 -9.947 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.390 -11.106 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.075 -12.543 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.534 -10.824 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.316 -11.920 -6.383 1.00 0.00 H new TER 1578 ALA A 103