USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 NoAdj-H: A 80 HIS HD1 : A 80 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD NoAdj-H: A 82 HIS HD1 : A 82 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= -0.0198 (180deg=-0.204) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= -0.0123 (180deg=-0.149) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.0237 (180deg=-0.296) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 41 ASN : amide:sc= -0.138 K(o=-0.14,f=-3.3!) USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 48 HIS : no HD1:sc= 0.573 K(o=0.57,f=-3.4!) USER MOD Single : A 50 MET CE :methyl 166:sc= -0.119 (180deg=-0.433) USER MOD Single : A 57 GLN : amide:sc= 0.687 K(o=0.69,f=-1.4) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 60 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.52) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0688 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -100:sc= -1.06 USER MOD Single : A 76 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.1) USER MOD Single : A 77 HIS :FLIP no HE2:sc= -3.97 F(o=-4.6!,f=-4) USER MOD Single : A 85 SER OG : rot 92:sc= 1.25 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0321) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.0737 K(o=-0.074,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 46.268 -37.912 -2.637 1.00 70.53 N ATOM 2 CA GLY A 9 44.946 -37.512 -2.200 1.00 22.32 C ATOM 3 C GLY A 9 44.219 -38.596 -1.429 1.00 31.13 C ATOM 4 O GLY A 9 44.829 -39.586 -0.987 1.00 2.04 O ATOM 0 HA2 GLY A 9 45.031 -36.624 -1.574 1.00 22.32 H new ATOM 0 HA3 GLY A 9 44.352 -37.233 -3.070 1.00 22.32 H new ATOM 8 N GLY A 10 42.933 -38.408 -1.249 1.00 71.21 N ATOM 9 CA GLY A 10 42.135 -39.353 -0.512 1.00 51.31 C ATOM 10 C GLY A 10 40.660 -39.084 -0.674 1.00 53.43 C ATOM 11 O GLY A 10 40.240 -38.444 -1.651 1.00 24.51 O ATOM 0 H GLY A 10 42.417 -37.604 -1.606 1.00 71.21 H new ATOM 0 HA2 GLY A 10 42.360 -40.363 -0.853 1.00 51.31 H new ATOM 0 HA3 GLY A 10 42.399 -39.307 0.544 1.00 51.31 H new ATOM 15 N GLY A 11 39.875 -39.558 0.266 1.00 31.15 N ATOM 16 CA GLY A 11 38.450 -39.368 0.204 1.00 73.54 C ATOM 17 C GLY A 11 37.865 -39.058 1.567 1.00 45.33 C ATOM 18 O GLY A 11 38.603 -38.880 2.543 1.00 13.23 O ATOM 0 H GLY A 11 40.202 -40.077 1.081 1.00 31.15 H new ATOM 0 HA2 GLY A 11 38.221 -38.554 -0.484 1.00 73.54 H new ATOM 0 HA3 GLY A 11 37.980 -40.266 -0.198 1.00 73.54 H new ATOM 22 N GLY A 12 36.559 -39.005 1.635 1.00 21.33 N ATOM 23 CA GLY A 12 35.887 -38.724 2.874 1.00 55.31 C ATOM 24 C GLY A 12 35.282 -39.971 3.485 1.00 62.12 C ATOM 25 O GLY A 12 35.426 -41.080 2.940 1.00 41.14 O ATOM 0 H GLY A 12 35.938 -39.154 0.840 1.00 21.33 H new ATOM 0 HA2 GLY A 12 36.592 -38.281 3.577 1.00 55.31 H new ATOM 0 HA3 GLY A 12 35.103 -37.987 2.702 1.00 55.31 H new ATOM 29 N THR A 13 34.601 -39.801 4.600 1.00 71.50 N ATOM 30 CA THR A 13 33.980 -40.913 5.283 1.00 54.12 C ATOM 31 C THR A 13 32.616 -41.226 4.648 1.00 73.13 C ATOM 32 O THR A 13 31.986 -40.349 4.034 1.00 65.35 O ATOM 33 CB THR A 13 33.835 -40.632 6.815 1.00 20.31 C ATOM 34 OG1 THR A 13 33.320 -41.792 7.494 1.00 43.32 O ATOM 35 CG2 THR A 13 32.917 -39.455 7.078 1.00 42.11 C ATOM 0 H THR A 13 34.464 -38.897 5.053 1.00 71.50 H new ATOM 0 HA THR A 13 34.624 -41.785 5.174 1.00 54.12 H new ATOM 0 HB THR A 13 34.828 -40.394 7.196 1.00 20.31 H new ATOM 0 HG1 THR A 13 33.237 -41.601 8.452 1.00 43.32 H new ATOM 0 HG21 THR A 13 32.839 -39.288 8.152 1.00 42.11 H new ATOM 0 HG22 THR A 13 33.323 -38.563 6.600 1.00 42.11 H new ATOM 0 HG23 THR A 13 31.928 -39.667 6.671 1.00 42.11 H new ATOM 43 N ASN A 14 32.169 -42.453 4.798 1.00 41.10 N ATOM 44 CA ASN A 14 30.923 -42.908 4.203 1.00 20.03 C ATOM 45 C ASN A 14 29.744 -42.499 5.073 1.00 3.51 C ATOM 46 O ASN A 14 29.639 -42.922 6.225 1.00 22.44 O ATOM 47 CB ASN A 14 30.936 -44.430 4.049 1.00 44.02 C ATOM 48 CG ASN A 14 29.689 -44.964 3.351 1.00 5.30 C ATOM 49 OD1 ASN A 14 29.096 -44.291 2.510 1.00 60.13 O ATOM 50 ND2 ASN A 14 29.287 -46.166 3.704 1.00 21.25 N ATOM 0 H ASN A 14 32.657 -43.168 5.337 1.00 41.10 H new ATOM 0 HA ASN A 14 30.822 -42.447 3.220 1.00 20.03 H new ATOM 0 HB2 ASN A 14 31.819 -44.726 3.482 1.00 44.02 H new ATOM 0 HB3 ASN A 14 31.021 -44.890 5.034 1.00 44.02 H new ATOM 0 HD21 ASN A 14 28.455 -46.572 3.276 1.00 21.25 H new ATOM 0 HD22 ASN A 14 29.807 -46.692 4.406 1.00 21.25 H new ATOM 57 N SER A 15 28.875 -41.657 4.529 1.00 20.33 N ATOM 58 CA SER A 15 27.710 -41.163 5.242 1.00 21.23 C ATOM 59 C SER A 15 26.764 -42.312 5.598 1.00 52.11 C ATOM 60 O SER A 15 26.141 -42.908 4.721 1.00 65.11 O ATOM 61 CB SER A 15 26.981 -40.131 4.377 1.00 0.02 C ATOM 62 OG SER A 15 27.893 -39.167 3.861 1.00 45.31 O ATOM 0 H SER A 15 28.961 -41.298 3.578 1.00 20.33 H new ATOM 0 HA SER A 15 28.039 -40.693 6.169 1.00 21.23 H new ATOM 0 HB2 SER A 15 26.473 -40.634 3.554 1.00 0.02 H new ATOM 0 HB3 SER A 15 26.213 -39.632 4.968 1.00 0.02 H new ATOM 0 HG SER A 15 27.407 -38.519 3.310 1.00 45.31 H new ATOM 68 N GLY A 16 26.664 -42.609 6.872 1.00 54.12 N ATOM 69 CA GLY A 16 25.829 -43.695 7.307 1.00 22.43 C ATOM 70 C GLY A 16 24.503 -43.220 7.839 1.00 22.52 C ATOM 71 O GLY A 16 24.444 -42.237 8.581 1.00 62.45 O ATOM 0 H GLY A 16 27.150 -42.114 7.620 1.00 54.12 H new ATOM 0 HA2 GLY A 16 25.660 -44.377 6.473 1.00 22.43 H new ATOM 0 HA3 GLY A 16 26.347 -44.261 8.082 1.00 22.43 H new ATOM 75 N ALA A 17 23.448 -43.891 7.453 1.00 12.52 N ATOM 76 CA ALA A 17 22.121 -43.582 7.928 1.00 12.12 C ATOM 77 C ALA A 17 21.774 -44.466 9.116 1.00 14.44 C ATOM 78 O ALA A 17 22.341 -45.546 9.279 1.00 64.10 O ATOM 79 CB ALA A 17 21.108 -43.745 6.808 1.00 30.50 C ATOM 0 H ALA A 17 23.484 -44.671 6.797 1.00 12.52 H new ATOM 0 HA ALA A 17 22.093 -42.543 8.257 1.00 12.12 H new ATOM 0 HB1 ALA A 17 20.112 -43.509 7.181 1.00 30.50 H new ATOM 0 HB2 ALA A 17 21.359 -43.070 5.990 1.00 30.50 H new ATOM 0 HB3 ALA A 17 21.126 -44.774 6.448 1.00 30.50 H new ATOM 85 N GLY A 18 20.872 -44.003 9.942 1.00 1.01 N ATOM 86 CA GLY A 18 20.512 -44.728 11.140 1.00 60.15 C ATOM 87 C GLY A 18 20.811 -43.904 12.362 1.00 32.40 C ATOM 88 O GLY A 18 20.383 -44.220 13.466 1.00 21.24 O ATOM 0 H GLY A 18 20.370 -43.125 9.809 1.00 1.01 H new ATOM 0 HA2 GLY A 18 19.452 -44.981 11.115 1.00 60.15 H new ATOM 0 HA3 GLY A 18 21.063 -45.667 11.183 1.00 60.15 H new ATOM 92 N LYS A 19 21.531 -42.817 12.147 1.00 24.14 N ATOM 93 CA LYS A 19 21.907 -41.893 13.216 1.00 52.41 C ATOM 94 C LYS A 19 20.867 -40.780 13.327 1.00 52.51 C ATOM 95 O LYS A 19 21.090 -39.749 13.968 1.00 63.13 O ATOM 96 CB LYS A 19 23.308 -41.294 12.963 1.00 72.23 C ATOM 97 CG LYS A 19 24.484 -42.259 13.145 1.00 12.04 C ATOM 98 CD LYS A 19 24.578 -43.293 12.029 1.00 45.44 C ATOM 99 CE LYS A 19 25.754 -44.241 12.241 1.00 23.02 C ATOM 100 NZ LYS A 19 25.600 -45.040 13.475 1.00 22.41 N ATOM 0 H LYS A 19 21.875 -42.545 11.226 1.00 24.14 H new ATOM 0 HA LYS A 19 21.942 -42.446 14.155 1.00 52.41 H new ATOM 0 HB2 LYS A 19 23.337 -40.902 11.946 1.00 72.23 H new ATOM 0 HB3 LYS A 19 23.448 -40.448 13.636 1.00 72.23 H new ATOM 0 HG2 LYS A 19 25.412 -41.689 13.185 1.00 12.04 H new ATOM 0 HG3 LYS A 19 24.383 -42.772 14.102 1.00 12.04 H new ATOM 0 HD2 LYS A 19 23.652 -43.866 11.984 1.00 45.44 H new ATOM 0 HD3 LYS A 19 24.687 -42.786 11.070 1.00 45.44 H new ATOM 0 HE2 LYS A 19 25.841 -44.909 11.384 1.00 23.02 H new ATOM 0 HE3 LYS A 19 26.679 -43.667 12.293 1.00 23.02 H new ATOM 0 HZ1 LYS A 19 26.303 -45.807 13.482 1.00 22.41 H new ATOM 0 HZ2 LYS A 19 25.745 -44.429 14.304 1.00 22.41 H new ATOM 0 HZ3 LYS A 19 24.643 -45.447 13.508 1.00 22.41 H new ATOM 114 N LYS A 20 19.733 -41.009 12.688 1.00 30.44 N ATOM 115 CA LYS A 20 18.637 -40.070 12.659 1.00 40.13 C ATOM 116 C LYS A 20 17.930 -40.015 13.999 1.00 23.11 C ATOM 117 O LYS A 20 17.541 -41.046 14.558 1.00 54.23 O ATOM 118 CB LYS A 20 17.637 -40.480 11.570 1.00 54.23 C ATOM 119 CG LYS A 20 16.411 -39.590 11.455 1.00 1.21 C ATOM 120 CD LYS A 20 15.507 -40.086 10.349 1.00 32.11 C ATOM 121 CE LYS A 20 14.275 -39.215 10.197 1.00 72.34 C ATOM 122 NZ LYS A 20 13.401 -39.702 9.107 1.00 42.44 N ATOM 0 H LYS A 20 19.550 -41.867 12.168 1.00 30.44 H new ATOM 0 HA LYS A 20 19.040 -39.081 12.441 1.00 40.13 H new ATOM 0 HB2 LYS A 20 18.152 -40.489 10.610 1.00 54.23 H new ATOM 0 HB3 LYS A 20 17.309 -41.501 11.765 1.00 54.23 H new ATOM 0 HG2 LYS A 20 15.869 -39.581 12.401 1.00 1.21 H new ATOM 0 HG3 LYS A 20 16.716 -38.563 11.252 1.00 1.21 H new ATOM 0 HD2 LYS A 20 16.058 -40.103 9.409 1.00 32.11 H new ATOM 0 HD3 LYS A 20 15.204 -41.112 10.560 1.00 32.11 H new ATOM 0 HE2 LYS A 20 13.718 -39.203 11.134 1.00 72.34 H new ATOM 0 HE3 LYS A 20 14.577 -38.188 9.992 1.00 72.34 H new ATOM 0 HZ1 LYS A 20 12.567 -39.085 9.029 1.00 42.44 H new ATOM 0 HZ2 LYS A 20 13.926 -39.690 8.209 1.00 42.44 H new ATOM 0 HZ3 LYS A 20 13.094 -40.674 9.316 1.00 42.44 H new ATOM 136 N ARG A 21 17.781 -38.819 14.499 1.00 42.44 N ATOM 137 CA ARG A 21 16.979 -38.565 15.671 1.00 24.10 C ATOM 138 C ARG A 21 15.667 -37.993 15.203 1.00 32.21 C ATOM 139 O ARG A 21 15.643 -37.208 14.252 1.00 11.31 O ATOM 140 CB ARG A 21 17.669 -37.555 16.594 1.00 3.24 C ATOM 141 CG ARG A 21 18.992 -38.018 17.157 1.00 32.21 C ATOM 142 CD ARG A 21 18.805 -39.175 18.116 1.00 15.31 C ATOM 143 NE ARG A 21 20.080 -39.693 18.590 1.00 64.54 N ATOM 144 CZ ARG A 21 20.222 -40.643 19.511 1.00 35.20 C ATOM 145 NH1 ARG A 21 19.166 -41.149 20.110 1.00 3.15 N ATOM 146 NH2 ARG A 21 21.432 -41.083 19.832 1.00 31.31 N ATOM 0 H ARG A 21 18.215 -37.985 14.104 1.00 42.44 H new ATOM 0 HA ARG A 21 16.834 -39.490 16.229 1.00 24.10 H new ATOM 0 HB2 ARG A 21 17.828 -36.629 16.042 1.00 3.24 H new ATOM 0 HB3 ARG A 21 16.999 -37.322 17.421 1.00 3.24 H new ATOM 0 HG2 ARG A 21 19.651 -38.320 16.343 1.00 32.21 H new ATOM 0 HG3 ARG A 21 19.480 -37.191 17.672 1.00 32.21 H new ATOM 0 HD2 ARG A 21 18.206 -38.850 18.966 1.00 15.31 H new ATOM 0 HD3 ARG A 21 18.250 -39.972 17.621 1.00 15.31 H new ATOM 0 HE ARG A 21 20.929 -39.298 18.186 1.00 64.54 H new ATOM 0 HH11 ARG A 21 18.233 -40.813 19.869 1.00 3.15 H new ATOM 0 HH12 ARG A 21 19.280 -41.877 20.815 1.00 3.15 H new ATOM 0 HH21 ARG A 21 22.255 -40.693 19.373 1.00 31.31 H new ATOM 0 HH22 ARG A 21 21.539 -41.811 20.538 1.00 31.31 H new ATOM 160 N PHE A 22 14.593 -38.370 15.842 1.00 33.42 N ATOM 161 CA PHE A 22 13.282 -37.947 15.407 1.00 54.31 C ATOM 162 C PHE A 22 13.126 -36.454 15.662 1.00 14.33 C ATOM 163 O PHE A 22 13.426 -35.967 16.758 1.00 21.23 O ATOM 164 CB PHE A 22 12.200 -38.736 16.151 1.00 32.13 C ATOM 165 CG PHE A 22 12.202 -40.212 15.835 1.00 1.33 C ATOM 166 CD1 PHE A 22 11.527 -40.703 14.729 1.00 13.14 C ATOM 167 CD2 PHE A 22 12.880 -41.105 16.649 1.00 30.21 C ATOM 168 CE1 PHE A 22 11.530 -42.060 14.440 1.00 61.23 C ATOM 169 CE2 PHE A 22 12.889 -42.459 16.367 1.00 4.45 C ATOM 170 CZ PHE A 22 12.214 -42.937 15.260 1.00 50.34 C ATOM 0 H PHE A 22 14.596 -38.970 16.667 1.00 33.42 H new ATOM 0 HA PHE A 22 13.172 -38.140 14.340 1.00 54.31 H new ATOM 0 HB2 PHE A 22 12.338 -38.603 17.224 1.00 32.13 H new ATOM 0 HB3 PHE A 22 11.223 -38.321 15.901 1.00 32.13 H new ATOM 0 HD1 PHE A 22 10.992 -40.021 14.084 1.00 13.14 H new ATOM 0 HD2 PHE A 22 13.409 -40.738 17.516 1.00 30.21 H new ATOM 0 HE1 PHE A 22 10.999 -42.430 13.576 1.00 61.23 H new ATOM 0 HE2 PHE A 22 13.423 -43.142 17.011 1.00 4.45 H new ATOM 0 HZ PHE A 22 12.221 -43.994 15.036 1.00 50.34 H new ATOM 180 N GLU A 23 12.663 -35.741 14.656 1.00 74.24 N ATOM 181 CA GLU A 23 12.540 -34.309 14.750 1.00 22.45 C ATOM 182 C GLU A 23 11.150 -33.886 15.163 1.00 60.23 C ATOM 183 O GLU A 23 10.156 -34.547 14.849 1.00 65.23 O ATOM 184 CB GLU A 23 13.055 -33.584 13.476 1.00 12.25 C ATOM 185 CG GLU A 23 12.393 -33.976 12.148 1.00 63.01 C ATOM 186 CD GLU A 23 11.057 -33.315 11.911 1.00 32.21 C ATOM 187 OE1 GLU A 23 11.026 -32.070 11.727 1.00 43.02 O ATOM 188 OE2 GLU A 23 10.030 -34.024 11.900 1.00 12.02 O ATOM 0 H GLU A 23 12.366 -36.135 13.763 1.00 74.24 H new ATOM 0 HA GLU A 23 13.201 -33.984 15.553 1.00 22.45 H new ATOM 0 HB2 GLU A 23 12.925 -32.511 13.618 1.00 12.25 H new ATOM 0 HB3 GLU A 23 14.126 -33.766 13.390 1.00 12.25 H new ATOM 0 HG2 GLU A 23 13.065 -33.719 11.329 1.00 63.01 H new ATOM 0 HG3 GLU A 23 12.261 -35.058 12.125 1.00 63.01 H new ATOM 195 N VAL A 24 11.090 -32.820 15.890 1.00 13.53 N ATOM 196 CA VAL A 24 9.852 -32.311 16.418 1.00 54.54 C ATOM 197 C VAL A 24 9.651 -30.902 15.914 1.00 35.32 C ATOM 198 O VAL A 24 10.602 -30.125 15.879 1.00 3.31 O ATOM 199 CB VAL A 24 9.896 -32.299 17.977 1.00 43.51 C ATOM 200 CG1 VAL A 24 8.695 -31.578 18.568 1.00 3.00 C ATOM 201 CG2 VAL A 24 9.981 -33.717 18.525 1.00 24.52 C ATOM 0 H VAL A 24 11.907 -32.264 16.142 1.00 13.53 H new ATOM 0 HA VAL A 24 9.031 -32.949 16.093 1.00 54.54 H new ATOM 0 HB VAL A 24 10.792 -31.753 18.272 1.00 43.51 H new ATOM 0 HG11 VAL A 24 8.762 -31.591 19.656 1.00 3.00 H new ATOM 0 HG12 VAL A 24 8.682 -30.546 18.218 1.00 3.00 H new ATOM 0 HG13 VAL A 24 7.779 -32.079 18.255 1.00 3.00 H new ATOM 0 HG21 VAL A 24 10.011 -33.685 19.614 1.00 24.52 H new ATOM 0 HG22 VAL A 24 9.108 -34.285 18.202 1.00 24.52 H new ATOM 0 HG23 VAL A 24 10.885 -34.198 18.151 1.00 24.52 H new ATOM 211 N LYS A 25 8.441 -30.592 15.466 1.00 11.35 N ATOM 212 CA LYS A 25 8.101 -29.220 15.129 1.00 62.31 C ATOM 213 C LYS A 25 8.224 -28.396 16.391 1.00 30.14 C ATOM 214 O LYS A 25 7.334 -28.404 17.242 1.00 70.54 O ATOM 215 CB LYS A 25 6.675 -29.133 14.571 1.00 72.35 C ATOM 216 CG LYS A 25 6.205 -27.728 14.209 1.00 4.03 C ATOM 217 CD LYS A 25 7.014 -27.125 13.070 1.00 31.03 C ATOM 218 CE LYS A 25 6.542 -25.712 12.742 1.00 15.30 C ATOM 219 NZ LYS A 25 5.152 -25.696 12.223 1.00 21.01 N ATOM 0 H LYS A 25 7.687 -31.266 15.329 1.00 11.35 H new ATOM 0 HA LYS A 25 8.775 -28.844 14.359 1.00 62.31 H new ATOM 0 HB2 LYS A 25 6.611 -29.761 13.682 1.00 72.35 H new ATOM 0 HB3 LYS A 25 5.988 -29.551 15.307 1.00 72.35 H new ATOM 0 HG2 LYS A 25 5.153 -27.761 13.927 1.00 4.03 H new ATOM 0 HG3 LYS A 25 6.280 -27.085 15.086 1.00 4.03 H new ATOM 0 HD2 LYS A 25 8.069 -27.104 13.342 1.00 31.03 H new ATOM 0 HD3 LYS A 25 6.925 -27.755 12.185 1.00 31.03 H new ATOM 0 HE2 LYS A 25 6.602 -25.093 13.637 1.00 15.30 H new ATOM 0 HE3 LYS A 25 7.210 -25.269 12.003 1.00 15.30 H new ATOM 0 HZ1 LYS A 25 4.935 -24.754 11.840 1.00 21.01 H new ATOM 0 HZ2 LYS A 25 5.054 -26.407 11.470 1.00 21.01 H new ATOM 0 HZ3 LYS A 25 4.491 -25.916 12.995 1.00 21.01 H new ATOM 233 N LYS A 26 9.334 -27.721 16.529 1.00 62.14 N ATOM 234 CA LYS A 26 9.664 -27.090 17.774 1.00 4.11 C ATOM 235 C LYS A 26 10.266 -25.729 17.507 1.00 14.20 C ATOM 236 O LYS A 26 11.392 -25.615 17.028 1.00 71.11 O ATOM 237 CB LYS A 26 10.675 -27.979 18.523 1.00 31.32 C ATOM 238 CG LYS A 26 11.022 -27.533 19.931 1.00 74.20 C ATOM 239 CD LYS A 26 9.836 -27.680 20.871 1.00 32.34 C ATOM 240 CE LYS A 26 10.254 -27.471 22.316 1.00 32.53 C ATOM 241 NZ LYS A 26 11.167 -28.544 22.804 1.00 22.11 N ATOM 0 H LYS A 26 10.026 -27.595 15.790 1.00 62.14 H new ATOM 0 HA LYS A 26 8.768 -26.963 18.381 1.00 4.11 H new ATOM 0 HB2 LYS A 26 10.276 -28.992 18.570 1.00 31.32 H new ATOM 0 HB3 LYS A 26 11.594 -28.025 17.939 1.00 31.32 H new ATOM 0 HG2 LYS A 26 11.859 -28.123 20.305 1.00 74.20 H new ATOM 0 HG3 LYS A 26 11.348 -26.493 19.914 1.00 74.20 H new ATOM 0 HD2 LYS A 26 9.065 -26.957 20.604 1.00 32.34 H new ATOM 0 HD3 LYS A 26 9.397 -28.671 20.756 1.00 32.34 H new ATOM 0 HE2 LYS A 26 10.749 -26.505 22.412 1.00 32.53 H new ATOM 0 HE3 LYS A 26 9.366 -27.438 22.947 1.00 32.53 H new ATOM 0 HZ1 LYS A 26 11.196 -28.529 23.843 1.00 22.11 H new ATOM 0 HZ2 LYS A 26 10.819 -29.469 22.481 1.00 22.11 H new ATOM 0 HZ3 LYS A 26 12.124 -28.383 22.429 1.00 22.11 H new ATOM 255 N SER A 27 9.507 -24.709 17.763 1.00 13.20 N ATOM 256 CA SER A 27 9.984 -23.356 17.650 1.00 64.22 C ATOM 257 C SER A 27 9.520 -22.555 18.848 1.00 14.13 C ATOM 258 O SER A 27 8.394 -22.741 19.329 1.00 20.41 O ATOM 259 CB SER A 27 9.483 -22.725 16.350 1.00 62.01 C ATOM 260 OG SER A 27 9.937 -23.467 15.228 1.00 3.30 O ATOM 0 H SER A 27 8.534 -24.787 18.058 1.00 13.20 H new ATOM 0 HA SER A 27 11.074 -23.358 17.628 1.00 64.22 H new ATOM 0 HB2 SER A 27 8.394 -22.689 16.353 1.00 62.01 H new ATOM 0 HB3 SER A 27 9.835 -21.696 16.279 1.00 62.01 H new ATOM 0 HG SER A 27 9.606 -23.051 14.405 1.00 3.30 H new ATOM 266 N ASN A 28 10.388 -21.695 19.347 1.00 1.21 N ATOM 267 CA ASN A 28 10.053 -20.844 20.483 1.00 64.12 C ATOM 268 C ASN A 28 8.936 -19.862 20.127 1.00 11.00 C ATOM 269 O ASN A 28 8.006 -19.649 20.912 1.00 61.52 O ATOM 270 CB ASN A 28 11.293 -20.093 20.999 1.00 51.30 C ATOM 271 CG ASN A 28 10.974 -19.154 22.151 1.00 62.01 C ATOM 272 OD1 ASN A 28 10.670 -17.976 21.942 1.00 1.51 O ATOM 273 ND2 ASN A 28 11.039 -19.659 23.367 1.00 40.45 N ATOM 0 H ASN A 28 11.333 -21.564 18.986 1.00 1.21 H new ATOM 0 HA ASN A 28 9.692 -21.491 21.283 1.00 64.12 H new ATOM 0 HB2 ASN A 28 12.042 -20.816 21.322 1.00 51.30 H new ATOM 0 HB3 ASN A 28 11.733 -19.522 20.181 1.00 51.30 H new ATOM 0 HD21 ASN A 28 10.834 -19.071 24.175 1.00 40.45 H new ATOM 0 HD22 ASN A 28 11.294 -20.638 23.500 1.00 40.45 H new ATOM 280 N ALA A 29 9.014 -19.310 18.935 1.00 33.24 N ATOM 281 CA ALA A 29 8.064 -18.308 18.487 1.00 62.25 C ATOM 282 C ALA A 29 7.387 -18.744 17.197 1.00 4.03 C ATOM 283 O ALA A 29 8.008 -19.398 16.358 1.00 42.21 O ATOM 284 CB ALA A 29 8.777 -16.982 18.280 1.00 64.43 C ATOM 0 H ALA A 29 9.734 -19.540 18.250 1.00 33.24 H new ATOM 0 HA ALA A 29 7.296 -18.190 19.252 1.00 62.25 H new ATOM 0 HB1 ALA A 29 8.061 -16.232 17.944 1.00 64.43 H new ATOM 0 HB2 ALA A 29 9.226 -16.660 19.220 1.00 64.43 H new ATOM 0 HB3 ALA A 29 9.557 -17.102 17.528 1.00 64.43 H new ATOM 290 N SER A 30 6.120 -18.380 17.046 1.00 14.22 N ATOM 291 CA SER A 30 5.335 -18.744 15.871 1.00 22.41 C ATOM 292 C SER A 30 5.665 -17.872 14.655 1.00 40.32 C ATOM 293 O SER A 30 5.355 -18.237 13.519 1.00 62.21 O ATOM 294 CB SER A 30 3.835 -18.655 16.192 1.00 44.41 C ATOM 295 OG SER A 30 3.470 -19.573 17.221 1.00 51.23 O ATOM 0 H SER A 30 5.608 -17.826 17.732 1.00 14.22 H new ATOM 0 HA SER A 30 5.596 -19.770 15.613 1.00 22.41 H new ATOM 0 HB2 SER A 30 3.587 -17.640 16.502 1.00 44.41 H new ATOM 0 HB3 SER A 30 3.255 -18.864 15.293 1.00 44.41 H new ATOM 0 HG SER A 30 2.511 -19.493 17.406 1.00 51.23 H new ATOM 301 N ALA A 31 6.292 -16.726 14.888 1.00 52.51 N ATOM 302 CA ALA A 31 6.640 -15.837 13.792 1.00 20.24 C ATOM 303 C ALA A 31 7.939 -16.271 13.122 1.00 55.23 C ATOM 304 O ALA A 31 9.015 -15.739 13.408 1.00 52.42 O ATOM 305 CB ALA A 31 6.731 -14.400 14.261 1.00 2.12 C ATOM 0 H ALA A 31 6.566 -16.395 15.813 1.00 52.51 H new ATOM 0 HA ALA A 31 5.842 -15.899 13.052 1.00 20.24 H new ATOM 0 HB1 ALA A 31 6.993 -13.759 13.420 1.00 2.12 H new ATOM 0 HB2 ALA A 31 5.769 -14.089 14.669 1.00 2.12 H new ATOM 0 HB3 ALA A 31 7.496 -14.317 15.032 1.00 2.12 H new ATOM 311 N GLN A 32 7.839 -17.275 12.274 1.00 53.31 N ATOM 312 CA GLN A 32 8.986 -17.794 11.555 1.00 2.30 C ATOM 313 C GLN A 32 9.509 -16.779 10.539 1.00 74.30 C ATOM 314 O GLN A 32 10.722 -16.586 10.411 1.00 65.43 O ATOM 315 CB GLN A 32 8.643 -19.115 10.870 1.00 63.52 C ATOM 316 CG GLN A 32 9.822 -19.773 10.175 1.00 51.11 C ATOM 317 CD GLN A 32 9.460 -21.101 9.549 1.00 54.34 C ATOM 318 OE1 GLN A 32 9.034 -21.165 8.396 1.00 75.11 O ATOM 319 NE2 GLN A 32 9.624 -22.167 10.299 1.00 50.42 N ATOM 0 H GLN A 32 6.963 -17.753 12.064 1.00 53.31 H new ATOM 0 HA GLN A 32 9.778 -17.979 12.281 1.00 2.30 H new ATOM 0 HB2 GLN A 32 8.241 -19.804 11.613 1.00 63.52 H new ATOM 0 HB3 GLN A 32 7.854 -18.939 10.138 1.00 63.52 H new ATOM 0 HG2 GLN A 32 10.204 -19.104 9.404 1.00 51.11 H new ATOM 0 HG3 GLN A 32 10.627 -19.922 10.895 1.00 51.11 H new ATOM 0 HE21 GLN A 32 9.980 -22.072 11.250 1.00 50.42 H new ATOM 0 HE22 GLN A 32 9.396 -23.090 9.930 1.00 50.42 H new ATOM 328 N SER A 33 8.606 -16.127 9.829 1.00 0.32 N ATOM 329 CA SER A 33 8.985 -15.175 8.801 1.00 23.21 C ATOM 330 C SER A 33 7.834 -14.202 8.539 1.00 43.44 C ATOM 331 O SER A 33 6.709 -14.412 9.008 1.00 44.03 O ATOM 332 CB SER A 33 9.366 -15.918 7.502 1.00 4.33 C ATOM 333 OG SER A 33 9.838 -15.025 6.496 1.00 3.44 O ATOM 0 H SER A 33 7.599 -16.241 9.947 1.00 0.32 H new ATOM 0 HA SER A 33 9.851 -14.609 9.145 1.00 23.21 H new ATOM 0 HB2 SER A 33 10.136 -16.658 7.720 1.00 4.33 H new ATOM 0 HB3 SER A 33 8.499 -16.461 7.127 1.00 4.33 H new ATOM 0 HG SER A 33 10.070 -15.533 5.691 1.00 3.44 H new ATOM 339 N ALA A 34 8.130 -13.145 7.816 1.00 20.24 N ATOM 340 CA ALA A 34 7.130 -12.187 7.399 1.00 53.12 C ATOM 341 C ALA A 34 6.642 -12.538 5.998 1.00 21.01 C ATOM 342 O ALA A 34 7.092 -13.517 5.411 1.00 14.13 O ATOM 343 CB ALA A 34 7.704 -10.777 7.419 1.00 74.40 C ATOM 0 H ALA A 34 9.074 -12.925 7.499 1.00 20.24 H new ATOM 0 HA ALA A 34 6.290 -12.225 8.092 1.00 53.12 H new ATOM 0 HB1 ALA A 34 6.939 -10.068 7.103 1.00 74.40 H new ATOM 0 HB2 ALA A 34 8.031 -10.531 8.430 1.00 74.40 H new ATOM 0 HB3 ALA A 34 8.554 -10.721 6.739 1.00 74.40 H new ATOM 349 N TRP A 35 5.726 -11.758 5.471 1.00 12.32 N ATOM 350 CA TRP A 35 5.209 -11.974 4.135 1.00 53.44 C ATOM 351 C TRP A 35 5.938 -11.110 3.114 1.00 73.11 C ATOM 352 O TRP A 35 6.473 -10.043 3.451 1.00 72.25 O ATOM 353 CB TRP A 35 3.704 -11.731 4.094 1.00 11.14 C ATOM 354 CG TRP A 35 2.929 -12.738 4.890 1.00 44.34 C ATOM 355 CD1 TRP A 35 2.460 -12.593 6.160 1.00 50.34 C ATOM 356 CD2 TRP A 35 2.549 -14.051 4.471 1.00 71.54 C ATOM 357 NE1 TRP A 35 1.809 -13.737 6.554 1.00 24.12 N ATOM 358 CE2 TRP A 35 1.847 -14.644 5.537 1.00 71.23 C ATOM 359 CE3 TRP A 35 2.727 -14.777 3.296 1.00 45.10 C ATOM 360 CZ2 TRP A 35 1.331 -15.928 5.462 1.00 23.45 C ATOM 361 CZ3 TRP A 35 2.213 -16.051 3.222 1.00 12.02 C ATOM 362 CH2 TRP A 35 1.520 -16.614 4.299 1.00 63.21 C ATOM 0 H TRP A 35 5.318 -10.957 5.953 1.00 12.32 H new ATOM 0 HA TRP A 35 5.389 -13.015 3.867 1.00 53.44 H new ATOM 0 HB2 TRP A 35 3.492 -10.732 4.476 1.00 11.14 H new ATOM 0 HB3 TRP A 35 3.365 -11.755 3.058 1.00 11.14 H new ATOM 0 HD1 TRP A 35 2.582 -11.709 6.768 1.00 50.34 H new ATOM 0 HE1 TRP A 35 1.368 -13.884 7.462 1.00 24.12 H new ATOM 0 HE3 TRP A 35 3.258 -14.348 2.459 1.00 45.10 H new ATOM 0 HZ2 TRP A 35 0.800 -16.368 6.293 1.00 23.45 H new ATOM 0 HZ3 TRP A 35 2.347 -16.626 2.318 1.00 12.02 H new ATOM 0 HH2 TRP A 35 1.126 -17.615 4.207 1.00 63.21 H new ATOM 373 N ASP A 36 5.978 -11.582 1.875 1.00 61.24 N ATOM 374 CA ASP A 36 6.730 -10.930 0.801 1.00 5.51 C ATOM 375 C ASP A 36 6.025 -9.660 0.311 1.00 61.13 C ATOM 376 O ASP A 36 4.805 -9.527 0.440 1.00 52.31 O ATOM 377 CB ASP A 36 6.968 -11.915 -0.360 1.00 41.30 C ATOM 378 CG ASP A 36 7.877 -11.373 -1.452 1.00 70.41 C ATOM 379 OD1 ASP A 36 8.813 -10.606 -1.136 1.00 3.45 O ATOM 380 OD2 ASP A 36 7.683 -11.730 -2.633 1.00 63.31 O ATOM 0 H ASP A 36 5.491 -12.429 1.582 1.00 61.24 H new ATOM 0 HA ASP A 36 7.697 -10.628 1.202 1.00 5.51 H new ATOM 0 HB2 ASP A 36 7.402 -12.832 0.038 1.00 41.30 H new ATOM 0 HB3 ASP A 36 6.007 -12.182 -0.800 1.00 41.30 H new ATOM 385 N ILE A 37 6.794 -8.739 -0.228 1.00 33.31 N ATOM 386 CA ILE A 37 6.284 -7.471 -0.694 1.00 72.22 C ATOM 387 C ILE A 37 5.644 -7.641 -2.073 1.00 10.12 C ATOM 388 O ILE A 37 6.141 -8.396 -2.925 1.00 54.12 O ATOM 389 CB ILE A 37 7.404 -6.404 -0.766 1.00 15.43 C ATOM 390 CG1 ILE A 37 8.493 -6.845 -1.746 1.00 63.23 C ATOM 391 CG2 ILE A 37 8.005 -6.164 0.625 1.00 74.54 C ATOM 392 CD1 ILE A 37 9.559 -5.805 -1.998 1.00 44.42 C ATOM 0 H ILE A 37 7.800 -8.852 -0.356 1.00 33.31 H new ATOM 0 HA ILE A 37 5.534 -7.129 0.019 1.00 72.22 H new ATOM 0 HB ILE A 37 6.971 -5.469 -1.122 1.00 15.43 H new ATOM 0 HG12 ILE A 37 8.967 -7.749 -1.362 1.00 63.23 H new ATOM 0 HG13 ILE A 37 8.027 -7.108 -2.695 1.00 63.23 H new ATOM 0 HG21 ILE A 37 8.791 -5.412 0.557 1.00 74.54 H new ATOM 0 HG22 ILE A 37 7.226 -5.815 1.303 1.00 74.54 H new ATOM 0 HG23 ILE A 37 8.426 -7.095 1.005 1.00 74.54 H new ATOM 0 HD11 ILE A 37 10.291 -6.198 -2.703 1.00 44.42 H new ATOM 0 HD12 ILE A 37 9.101 -4.907 -2.413 1.00 44.42 H new ATOM 0 HD13 ILE A 37 10.055 -5.558 -1.060 1.00 44.42 H new ATOM 404 N VAL A 38 4.536 -6.976 -2.276 1.00 0.15 N ATOM 405 CA VAL A 38 3.778 -7.081 -3.515 1.00 1.25 C ATOM 406 C VAL A 38 3.506 -5.678 -4.095 1.00 63.24 C ATOM 407 O VAL A 38 3.179 -4.761 -3.356 1.00 13.31 O ATOM 408 CB VAL A 38 2.435 -7.857 -3.279 1.00 21.34 C ATOM 409 CG1 VAL A 38 1.529 -7.821 -4.497 1.00 54.10 C ATOM 410 CG2 VAL A 38 2.704 -9.299 -2.853 1.00 24.45 C ATOM 0 H VAL A 38 4.125 -6.342 -1.590 1.00 0.15 H new ATOM 0 HA VAL A 38 4.369 -7.644 -4.237 1.00 1.25 H new ATOM 0 HB VAL A 38 1.912 -7.346 -2.470 1.00 21.34 H new ATOM 0 HG11 VAL A 38 0.612 -8.371 -4.285 1.00 54.10 H new ATOM 0 HG12 VAL A 38 1.284 -6.787 -4.738 1.00 54.10 H new ATOM 0 HG13 VAL A 38 2.040 -8.279 -5.344 1.00 54.10 H new ATOM 0 HG21 VAL A 38 1.757 -9.815 -2.696 1.00 24.45 H new ATOM 0 HG22 VAL A 38 3.270 -9.809 -3.632 1.00 24.45 H new ATOM 0 HG23 VAL A 38 3.278 -9.304 -1.926 1.00 24.45 H new ATOM 420 N VAL A 39 3.687 -5.508 -5.404 1.00 34.25 N ATOM 421 CA VAL A 39 3.428 -4.217 -6.059 1.00 61.52 C ATOM 422 C VAL A 39 2.070 -4.169 -6.747 1.00 63.20 C ATOM 423 O VAL A 39 1.735 -3.182 -7.409 1.00 71.41 O ATOM 424 CB VAL A 39 4.536 -3.804 -7.065 1.00 14.11 C ATOM 425 CG1 VAL A 39 5.773 -3.332 -6.337 1.00 51.01 C ATOM 426 CG2 VAL A 39 4.869 -4.944 -8.023 1.00 45.41 C ATOM 0 H VAL A 39 4.011 -6.242 -6.034 1.00 34.25 H new ATOM 0 HA VAL A 39 3.430 -3.494 -5.244 1.00 61.52 H new ATOM 0 HB VAL A 39 4.153 -2.974 -7.659 1.00 14.11 H new ATOM 0 HG11 VAL A 39 6.536 -3.048 -7.062 1.00 51.01 H new ATOM 0 HG12 VAL A 39 5.524 -2.471 -5.716 1.00 51.01 H new ATOM 0 HG13 VAL A 39 6.153 -4.136 -5.707 1.00 51.01 H new ATOM 0 HG21 VAL A 39 5.648 -4.623 -8.714 1.00 45.41 H new ATOM 0 HG22 VAL A 39 5.221 -5.805 -7.455 1.00 45.41 H new ATOM 0 HG23 VAL A 39 3.977 -5.220 -8.585 1.00 45.41 H new ATOM 436 N ASP A 40 1.292 -5.228 -6.601 1.00 31.41 N ATOM 437 CA ASP A 40 -0.070 -5.254 -7.143 1.00 41.41 C ATOM 438 C ASP A 40 -1.040 -4.783 -6.078 1.00 22.55 C ATOM 439 O ASP A 40 -2.262 -4.925 -6.188 1.00 24.34 O ATOM 440 CB ASP A 40 -0.448 -6.638 -7.611 1.00 2.10 C ATOM 441 CG ASP A 40 -1.721 -6.681 -8.453 1.00 62.15 C ATOM 442 OD1 ASP A 40 -1.707 -6.169 -9.593 1.00 1.31 O ATOM 443 OD2 ASP A 40 -2.731 -7.258 -7.993 1.00 64.24 O ATOM 0 H ASP A 40 1.571 -6.080 -6.116 1.00 31.41 H new ATOM 0 HA ASP A 40 -0.114 -4.588 -8.005 1.00 41.41 H new ATOM 0 HB2 ASP A 40 0.375 -7.051 -8.194 1.00 2.10 H new ATOM 0 HB3 ASP A 40 -0.578 -7.282 -6.741 1.00 2.10 H new ATOM 448 N ASN A 41 -0.492 -4.241 -5.035 1.00 14.35 N ATOM 449 CA ASN A 41 -1.254 -3.587 -4.034 1.00 54.41 C ATOM 450 C ASN A 41 -0.428 -2.471 -3.467 1.00 51.12 C ATOM 451 O ASN A 41 0.783 -2.428 -3.657 1.00 1.33 O ATOM 452 CB ASN A 41 -1.728 -4.556 -2.922 1.00 50.22 C ATOM 453 CG ASN A 41 -0.617 -5.170 -2.076 1.00 52.54 C ATOM 454 OD1 ASN A 41 0.507 -5.338 -2.519 1.00 54.11 O ATOM 455 ND2 ASN A 41 -0.945 -5.518 -0.848 1.00 41.41 N ATOM 0 H ASN A 41 0.513 -4.244 -4.859 1.00 14.35 H new ATOM 0 HA ASN A 41 -2.162 -3.189 -4.487 1.00 54.41 H new ATOM 0 HB2 ASN A 41 -2.411 -4.020 -2.262 1.00 50.22 H new ATOM 0 HB3 ASN A 41 -2.298 -5.362 -3.384 1.00 50.22 H new ATOM 0 HD21 ASN A 41 -0.249 -5.943 -0.235 1.00 41.41 H new ATOM 0 HD22 ASN A 41 -1.895 -5.363 -0.510 1.00 41.41 H new ATOM 462 N CYS A 42 -1.072 -1.563 -2.809 1.00 52.44 N ATOM 463 CA CYS A 42 -0.395 -0.481 -2.177 1.00 2.41 C ATOM 464 C CYS A 42 0.017 -0.953 -0.814 1.00 44.25 C ATOM 465 O CYS A 42 -0.828 -1.195 0.017 1.00 42.20 O ATOM 466 CB CYS A 42 -1.365 0.681 -2.028 1.00 11.05 C ATOM 467 SG CYS A 42 -0.630 2.245 -1.467 1.00 22.02 S ATOM 0 H CYS A 42 -2.086 -1.552 -2.695 1.00 52.44 H new ATOM 0 HA CYS A 42 0.470 -0.161 -2.758 1.00 2.41 H new ATOM 0 HB2 CYS A 42 -1.851 0.852 -2.989 1.00 11.05 H new ATOM 0 HB3 CYS A 42 -2.145 0.393 -1.323 1.00 11.05 H new ATOM 472 N ALA A 43 1.291 -1.074 -0.583 1.00 60.41 N ATOM 473 CA ALA A 43 1.770 -1.619 0.680 1.00 1.32 C ATOM 474 C ALA A 43 1.634 -0.587 1.775 1.00 33.15 C ATOM 475 O ALA A 43 1.644 -0.908 2.964 1.00 43.30 O ATOM 476 CB ALA A 43 3.220 -2.057 0.546 1.00 4.13 C ATOM 0 H ALA A 43 2.024 -0.808 -1.240 1.00 60.41 H new ATOM 0 HA ALA A 43 1.166 -2.488 0.940 1.00 1.32 H new ATOM 0 HB1 ALA A 43 3.567 -2.463 1.496 1.00 4.13 H new ATOM 0 HB2 ALA A 43 3.299 -2.823 -0.226 1.00 4.13 H new ATOM 0 HB3 ALA A 43 3.835 -1.200 0.271 1.00 4.13 H new ATOM 482 N ILE A 44 1.497 0.660 1.362 1.00 14.34 N ATOM 483 CA ILE A 44 1.466 1.772 2.286 1.00 24.42 C ATOM 484 C ILE A 44 0.172 1.763 3.108 1.00 12.21 C ATOM 485 O ILE A 44 0.193 1.925 4.325 1.00 21.31 O ATOM 486 CB ILE A 44 1.611 3.088 1.520 1.00 35.23 C ATOM 487 CG1 ILE A 44 2.892 3.014 0.688 1.00 32.31 C ATOM 488 CG2 ILE A 44 1.662 4.269 2.480 1.00 12.25 C ATOM 489 CD1 ILE A 44 3.154 4.229 -0.164 1.00 21.02 C ATOM 0 H ILE A 44 1.405 0.926 0.382 1.00 14.34 H new ATOM 0 HA ILE A 44 2.302 1.674 2.979 1.00 24.42 H new ATOM 0 HB ILE A 44 0.750 3.236 0.869 1.00 35.23 H new ATOM 0 HG12 ILE A 44 3.738 2.867 1.359 1.00 32.31 H new ATOM 0 HG13 ILE A 44 2.841 2.137 0.042 1.00 32.31 H new ATOM 0 HG21 ILE A 44 1.765 5.194 1.913 1.00 12.25 H new ATOM 0 HG22 ILE A 44 0.743 4.302 3.065 1.00 12.25 H new ATOM 0 HG23 ILE A 44 2.514 4.157 3.150 1.00 12.25 H new ATOM 0 HD11 ILE A 44 4.082 4.091 -0.719 1.00 21.02 H new ATOM 0 HD12 ILE A 44 2.329 4.368 -0.863 1.00 21.02 H new ATOM 0 HD13 ILE A 44 3.241 5.109 0.474 1.00 21.02 H new ATOM 501 N CYS A 45 -0.942 1.537 2.434 1.00 70.12 N ATOM 502 CA CYS A 45 -2.235 1.436 3.098 1.00 30.14 C ATOM 503 C CYS A 45 -2.621 -0.023 3.247 1.00 22.52 C ATOM 504 O CYS A 45 -3.436 -0.396 4.103 1.00 3.22 O ATOM 505 CB CYS A 45 -3.287 2.165 2.261 1.00 73.01 C ATOM 506 SG CYS A 45 -3.391 1.591 0.546 1.00 23.10 S ATOM 0 H CYS A 45 -0.979 1.419 1.422 1.00 70.12 H new ATOM 0 HA CYS A 45 -2.175 1.891 4.087 1.00 30.14 H new ATOM 0 HB2 CYS A 45 -4.261 2.043 2.734 1.00 73.01 H new ATOM 0 HB3 CYS A 45 -3.063 3.232 2.263 1.00 73.01 H new ATOM 511 N ARG A 46 -2.036 -0.830 2.377 1.00 13.40 N ATOM 512 CA ARG A 46 -2.269 -2.250 2.279 1.00 52.45 C ATOM 513 C ARG A 46 -3.658 -2.493 1.720 1.00 72.44 C ATOM 514 O ARG A 46 -4.513 -3.164 2.307 1.00 12.01 O ATOM 515 CB ARG A 46 -1.972 -2.980 3.588 1.00 45.02 C ATOM 516 CG ARG A 46 -2.091 -4.487 3.514 1.00 13.12 C ATOM 517 CD ARG A 46 -1.637 -5.120 4.806 1.00 1.12 C ATOM 518 NE ARG A 46 -2.452 -4.688 5.940 1.00 52.34 N ATOM 519 CZ ARG A 46 -2.346 -5.164 7.178 1.00 33.12 C ATOM 520 NH1 ARG A 46 -1.538 -6.188 7.441 1.00 34.25 N ATOM 521 NH2 ARG A 46 -3.080 -4.637 8.148 1.00 55.54 N ATOM 0 H ARG A 46 -1.358 -0.493 1.694 1.00 13.40 H new ATOM 0 HA ARG A 46 -1.561 -2.688 1.576 1.00 52.45 H new ATOM 0 HB2 ARG A 46 -0.962 -2.724 3.909 1.00 45.02 H new ATOM 0 HB3 ARG A 46 -2.653 -2.613 4.355 1.00 45.02 H new ATOM 0 HG2 ARG A 46 -3.125 -4.766 3.310 1.00 13.12 H new ATOM 0 HG3 ARG A 46 -1.490 -4.864 2.687 1.00 13.12 H new ATOM 0 HD2 ARG A 46 -1.686 -6.205 4.716 1.00 1.12 H new ATOM 0 HD3 ARG A 46 -0.594 -4.863 4.990 1.00 1.12 H new ATOM 0 HE ARG A 46 -3.154 -3.968 5.770 1.00 52.34 H new ATOM 0 HH11 ARG A 46 -0.994 -6.614 6.691 1.00 34.25 H new ATOM 0 HH12 ARG A 46 -1.463 -6.547 8.393 1.00 34.25 H new ATOM 0 HH21 ARG A 46 -3.722 -3.871 7.943 1.00 55.54 H new ATOM 0 HH22 ARG A 46 -3.003 -4.998 9.099 1.00 55.54 H new ATOM 535 N ASN A 47 -3.871 -1.855 0.590 1.00 74.20 N ATOM 536 CA ASN A 47 -5.070 -1.967 -0.198 1.00 34.42 C ATOM 537 C ASN A 47 -4.675 -2.285 -1.617 1.00 62.31 C ATOM 538 O ASN A 47 -3.532 -2.075 -1.985 1.00 13.21 O ATOM 539 CB ASN A 47 -5.858 -0.673 -0.129 1.00 12.30 C ATOM 540 CG ASN A 47 -6.634 -0.529 1.165 1.00 54.24 C ATOM 541 OD1 ASN A 47 -6.016 0.056 2.171 1.00 43.04 O flip ATOM 542 ND2 ASN A 47 -7.779 -0.957 1.263 1.00 42.32 N flip ATOM 0 H ASN A 47 -3.184 -1.220 0.183 1.00 74.20 H new ATOM 0 HA ASN A 47 -5.707 -2.763 0.188 1.00 34.42 H new ATOM 0 HB2 ASN A 47 -5.175 0.170 -0.234 1.00 12.30 H new ATOM 0 HB3 ASN A 47 -6.550 -0.629 -0.970 1.00 12.30 H new ATOM 0 HD21 ASN A 47 -8.226 -1.404 0.463 1.00 42.32 H new ATOM 0 HD22 ASN A 47 -8.284 -0.865 2.144 1.00 42.32 H new ATOM 549 N HIS A 48 -5.602 -2.767 -2.419 1.00 64.12 N ATOM 550 CA HIS A 48 -5.249 -3.312 -3.725 1.00 2.44 C ATOM 551 C HIS A 48 -4.763 -2.217 -4.693 1.00 51.34 C ATOM 552 O HIS A 48 -5.081 -1.029 -4.523 1.00 61.04 O ATOM 553 CB HIS A 48 -6.403 -4.120 -4.329 1.00 52.32 C ATOM 554 CG HIS A 48 -5.950 -5.012 -5.446 1.00 21.20 C ATOM 555 ND1 HIS A 48 -6.440 -4.949 -6.725 1.00 25.31 N ATOM 556 CD2 HIS A 48 -5.001 -5.978 -5.458 1.00 53.42 C ATOM 557 CE1 HIS A 48 -5.812 -5.842 -7.476 1.00 63.34 C ATOM 558 NE2 HIS A 48 -4.937 -6.475 -6.731 1.00 62.02 N ATOM 0 H HIS A 48 -6.597 -2.795 -2.198 1.00 64.12 H new ATOM 0 HA HIS A 48 -4.415 -3.996 -3.569 1.00 2.44 H new ATOM 0 HB2 HIS A 48 -6.867 -4.725 -3.550 1.00 52.32 H new ATOM 0 HB3 HIS A 48 -7.167 -3.437 -4.700 1.00 52.32 H new ATOM 0 HD2 HIS A 48 -4.404 -6.298 -4.617 1.00 53.42 H new ATOM 0 HE1 HIS A 48 -5.991 -6.019 -8.526 1.00 63.34 H new ATOM 0 HE2 HIS A 48 -4.312 -7.216 -7.049 1.00 62.02 H new ATOM 566 N ILE A 49 -3.981 -2.622 -5.692 1.00 10.24 N ATOM 567 CA ILE A 49 -3.371 -1.691 -6.612 1.00 25.23 C ATOM 568 C ILE A 49 -4.408 -0.871 -7.369 1.00 34.44 C ATOM 569 O ILE A 49 -5.451 -1.394 -7.781 1.00 43.34 O ATOM 570 CB ILE A 49 -2.423 -2.376 -7.640 1.00 50.24 C ATOM 571 CG1 ILE A 49 -1.531 -1.336 -8.309 1.00 23.43 C ATOM 572 CG2 ILE A 49 -3.198 -3.176 -8.686 1.00 43.40 C ATOM 573 CD1 ILE A 49 -0.617 -0.636 -7.327 1.00 3.12 C ATOM 0 H ILE A 49 -3.759 -3.600 -5.878 1.00 10.24 H new ATOM 0 HA ILE A 49 -2.774 -1.031 -5.983 1.00 25.23 H new ATOM 0 HB ILE A 49 -1.797 -3.082 -7.094 1.00 50.24 H new ATOM 0 HG12 ILE A 49 -0.929 -1.820 -9.079 1.00 23.43 H new ATOM 0 HG13 ILE A 49 -2.155 -0.596 -8.810 1.00 23.43 H new ATOM 0 HG21 ILE A 49 -2.498 -3.637 -9.383 1.00 43.40 H new ATOM 0 HG22 ILE A 49 -3.782 -3.952 -8.191 1.00 43.40 H new ATOM 0 HG23 ILE A 49 -3.867 -2.510 -9.231 1.00 43.40 H new ATOM 0 HD11 ILE A 49 -0.004 0.094 -7.857 1.00 3.12 H new ATOM 0 HD12 ILE A 49 -1.216 -0.127 -6.572 1.00 3.12 H new ATOM 0 HD13 ILE A 49 0.029 -1.370 -6.844 1.00 3.12 H new ATOM 585 N MET A 50 -4.119 0.417 -7.506 1.00 12.21 N ATOM 586 CA MET A 50 -4.908 1.337 -8.322 1.00 30.14 C ATOM 587 C MET A 50 -6.405 1.276 -7.955 1.00 55.22 C ATOM 588 O MET A 50 -7.265 1.479 -8.784 1.00 11.43 O ATOM 589 CB MET A 50 -4.649 1.024 -9.814 1.00 31.23 C ATOM 590 CG MET A 50 -5.256 2.006 -10.815 1.00 72.42 C ATOM 591 SD MET A 50 -4.730 1.681 -12.514 1.00 70.45 S ATOM 592 CE MET A 50 -5.304 0.000 -12.754 1.00 23.31 C ATOM 0 H MET A 50 -3.321 0.859 -7.049 1.00 12.21 H new ATOM 0 HA MET A 50 -4.598 2.363 -8.124 1.00 30.14 H new ATOM 0 HB2 MET A 50 -3.572 0.988 -9.976 1.00 31.23 H new ATOM 0 HB3 MET A 50 -5.037 0.028 -10.030 1.00 31.23 H new ATOM 0 HG2 MET A 50 -6.343 1.951 -10.758 1.00 72.42 H new ATOM 0 HG3 MET A 50 -4.973 3.022 -10.539 1.00 72.42 H new ATOM 0 HE1 MET A 50 -5.276 -0.246 -13.816 1.00 23.31 H new ATOM 0 HE2 MET A 50 -4.659 -0.687 -12.206 1.00 23.31 H new ATOM 0 HE3 MET A 50 -6.326 -0.091 -12.387 1.00 23.31 H new ATOM 602 N ASP A 51 -6.685 1.007 -6.687 1.00 40.33 N ATOM 603 CA ASP A 51 -8.058 0.945 -6.174 1.00 33.54 C ATOM 604 C ASP A 51 -8.209 1.992 -5.037 1.00 40.42 C ATOM 605 O ASP A 51 -7.399 2.927 -4.957 1.00 74.54 O ATOM 606 CB ASP A 51 -8.325 -0.492 -5.663 1.00 13.51 C ATOM 607 CG ASP A 51 -9.774 -0.787 -5.339 1.00 71.45 C ATOM 608 OD1 ASP A 51 -10.544 -1.114 -6.259 1.00 72.30 O ATOM 609 OD2 ASP A 51 -10.145 -0.691 -4.162 1.00 13.03 O ATOM 0 H ASP A 51 -5.972 0.825 -5.981 1.00 40.33 H new ATOM 0 HA ASP A 51 -8.786 1.176 -6.952 1.00 33.54 H new ATOM 0 HB2 ASP A 51 -7.983 -1.201 -6.417 1.00 13.51 H new ATOM 0 HB3 ASP A 51 -7.725 -0.663 -4.770 1.00 13.51 H new ATOM 614 N LEU A 52 -9.226 1.850 -4.190 1.00 54.23 N ATOM 615 CA LEU A 52 -9.466 2.725 -3.031 1.00 61.34 C ATOM 616 C LEU A 52 -8.418 2.468 -1.924 1.00 5.14 C ATOM 617 O LEU A 52 -7.945 1.337 -1.754 1.00 1.31 O ATOM 618 CB LEU A 52 -10.871 2.437 -2.499 1.00 64.13 C ATOM 619 CG LEU A 52 -12.028 2.888 -3.399 1.00 53.21 C ATOM 620 CD1 LEU A 52 -13.339 2.257 -2.966 1.00 71.40 C ATOM 621 CD2 LEU A 52 -12.155 4.406 -3.340 1.00 2.24 C ATOM 0 H LEU A 52 -9.923 1.111 -4.287 1.00 54.23 H new ATOM 0 HA LEU A 52 -9.381 3.768 -3.335 1.00 61.34 H new ATOM 0 HB2 LEU A 52 -10.963 1.364 -2.331 1.00 64.13 H new ATOM 0 HB3 LEU A 52 -10.979 2.922 -1.529 1.00 64.13 H new ATOM 0 HG LEU A 52 -11.813 2.568 -4.418 1.00 53.21 H new ATOM 0 HD11 LEU A 52 -14.140 2.596 -3.623 1.00 71.40 H new ATOM 0 HD12 LEU A 52 -13.257 1.172 -3.024 1.00 71.40 H new ATOM 0 HD13 LEU A 52 -13.562 2.550 -1.940 1.00 71.40 H new ATOM 0 HD21 LEU A 52 -12.977 4.727 -3.979 1.00 2.24 H new ATOM 0 HD22 LEU A 52 -12.352 4.715 -2.313 1.00 2.24 H new ATOM 0 HD23 LEU A 52 -11.227 4.862 -3.685 1.00 2.24 H new ATOM 633 N CYS A 53 -8.029 3.526 -1.212 1.00 61.32 N ATOM 634 CA CYS A 53 -7.045 3.430 -0.128 1.00 63.12 C ATOM 635 C CYS A 53 -7.717 3.037 1.207 1.00 44.33 C ATOM 636 O CYS A 53 -8.880 2.630 1.228 1.00 13.54 O ATOM 637 CB CYS A 53 -6.330 4.780 0.044 1.00 54.21 C ATOM 638 SG CYS A 53 -5.743 5.544 -1.503 1.00 31.23 S ATOM 0 H CYS A 53 -8.383 4.470 -1.367 1.00 61.32 H new ATOM 0 HA CYS A 53 -6.326 2.656 -0.394 1.00 63.12 H new ATOM 0 HB2 CYS A 53 -7.010 5.474 0.539 1.00 54.21 H new ATOM 0 HB3 CYS A 53 -5.478 4.640 0.709 1.00 54.21 H new ATOM 643 N ILE A 54 -6.958 3.190 2.317 1.00 52.22 N ATOM 644 CA ILE A 54 -7.401 2.862 3.697 1.00 13.23 C ATOM 645 C ILE A 54 -8.773 3.402 4.032 1.00 42.13 C ATOM 646 O ILE A 54 -9.784 2.698 3.967 1.00 53.34 O ATOM 647 CB ILE A 54 -6.414 3.427 4.759 1.00 51.44 C ATOM 648 CG1 ILE A 54 -5.737 4.724 4.260 1.00 70.13 C ATOM 649 CG2 ILE A 54 -5.416 2.388 5.228 1.00 31.44 C ATOM 650 CD1 ILE A 54 -4.786 5.345 5.249 1.00 23.13 C ATOM 0 H ILE A 54 -6.005 3.551 2.281 1.00 52.22 H new ATOM 0 HA ILE A 54 -7.430 1.773 3.725 1.00 13.23 H new ATOM 0 HB ILE A 54 -6.999 3.693 5.639 1.00 51.44 H new ATOM 0 HG12 ILE A 54 -5.195 4.507 3.340 1.00 70.13 H new ATOM 0 HG13 ILE A 54 -6.510 5.451 4.011 1.00 70.13 H new ATOM 0 HG21 ILE A 54 -4.750 2.831 5.968 1.00 31.44 H new ATOM 0 HG22 ILE A 54 -5.948 1.548 5.675 1.00 31.44 H new ATOM 0 HG23 ILE A 54 -4.831 2.036 4.378 1.00 31.44 H new ATOM 0 HD11 ILE A 54 -4.355 6.250 4.820 1.00 23.13 H new ATOM 0 HD12 ILE A 54 -5.325 5.597 6.163 1.00 23.13 H new ATOM 0 HD13 ILE A 54 -3.989 4.638 5.481 1.00 23.13 H new ATOM 662 N GLU A 55 -8.796 4.639 4.430 1.00 60.10 N ATOM 663 CA GLU A 55 -9.990 5.306 4.798 1.00 34.42 C ATOM 664 C GLU A 55 -10.812 5.574 3.589 1.00 55.14 C ATOM 665 O GLU A 55 -12.008 5.527 3.654 1.00 64.13 O ATOM 666 CB GLU A 55 -9.674 6.597 5.514 1.00 0.24 C ATOM 667 CG GLU A 55 -8.911 6.383 6.800 1.00 64.12 C ATOM 668 CD GLU A 55 -8.646 7.676 7.534 1.00 14.54 C ATOM 669 OE1 GLU A 55 -8.052 8.594 6.937 1.00 54.14 O ATOM 670 OE2 GLU A 55 -9.030 7.781 8.719 1.00 61.42 O ATOM 0 H GLU A 55 -7.960 5.218 4.507 1.00 60.10 H new ATOM 0 HA GLU A 55 -10.555 4.667 5.476 1.00 34.42 H new ATOM 0 HB2 GLU A 55 -9.091 7.240 4.854 1.00 0.24 H new ATOM 0 HB3 GLU A 55 -10.604 7.123 5.732 1.00 0.24 H new ATOM 0 HG2 GLU A 55 -9.475 5.710 7.446 1.00 64.12 H new ATOM 0 HG3 GLU A 55 -7.963 5.893 6.579 1.00 64.12 H new ATOM 677 N CYS A 56 -10.146 5.804 2.466 1.00 70.21 N ATOM 678 CA CYS A 56 -10.803 6.308 1.261 1.00 55.55 C ATOM 679 C CYS A 56 -12.033 5.490 0.846 1.00 43.14 C ATOM 680 O CYS A 56 -13.053 6.064 0.462 1.00 2.25 O ATOM 681 CB CYS A 56 -9.805 6.348 0.124 1.00 44.53 C ATOM 682 SG CYS A 56 -8.341 7.363 0.474 1.00 65.31 S ATOM 0 H CYS A 56 -9.143 5.649 2.361 1.00 70.21 H new ATOM 0 HA CYS A 56 -11.164 7.310 1.493 1.00 55.55 H new ATOM 0 HB2 CYS A 56 -9.485 5.331 -0.103 1.00 44.53 H new ATOM 0 HB3 CYS A 56 -10.299 6.734 -0.768 1.00 44.53 H new ATOM 687 N GLN A 57 -11.949 4.168 0.933 1.00 23.11 N ATOM 688 CA GLN A 57 -13.108 3.334 0.640 1.00 52.25 C ATOM 689 C GLN A 57 -14.279 3.579 1.605 1.00 54.21 C ATOM 690 O GLN A 57 -15.429 3.663 1.183 1.00 34.54 O ATOM 691 CB GLN A 57 -12.727 1.851 0.504 1.00 12.13 C ATOM 692 CG GLN A 57 -11.854 1.282 1.618 1.00 64.52 C ATOM 693 CD GLN A 57 -12.616 0.907 2.871 1.00 73.12 C ATOM 694 OE1 GLN A 57 -13.798 0.562 2.817 1.00 62.12 O ATOM 695 NE2 GLN A 57 -11.948 0.956 3.995 1.00 54.31 N ATOM 0 H GLN A 57 -11.107 3.658 1.199 1.00 23.11 H new ATOM 0 HA GLN A 57 -13.479 3.642 -0.338 1.00 52.25 H new ATOM 0 HB2 GLN A 57 -13.644 1.264 0.452 1.00 12.13 H new ATOM 0 HB3 GLN A 57 -12.207 1.715 -0.444 1.00 12.13 H new ATOM 0 HG2 GLN A 57 -11.335 0.399 1.243 1.00 64.52 H new ATOM 0 HG3 GLN A 57 -11.090 2.015 1.876 1.00 64.52 H new ATOM 0 HE21 GLN A 57 -10.970 1.247 3.995 1.00 54.31 H new ATOM 0 HE22 GLN A 57 -12.405 0.703 4.871 1.00 54.31 H new ATOM 704 N ALA A 58 -13.977 3.709 2.889 1.00 64.14 N ATOM 705 CA ALA A 58 -14.997 4.029 3.903 1.00 43.45 C ATOM 706 C ALA A 58 -15.435 5.486 3.787 1.00 41.32 C ATOM 707 O ALA A 58 -16.604 5.836 3.973 1.00 75.22 O ATOM 708 CB ALA A 58 -14.440 3.771 5.298 1.00 4.41 C ATOM 0 H ALA A 58 -13.035 3.599 3.263 1.00 64.14 H new ATOM 0 HA ALA A 58 -15.863 3.390 3.733 1.00 43.45 H new ATOM 0 HB1 ALA A 58 -15.199 4.010 6.043 1.00 4.41 H new ATOM 0 HB2 ALA A 58 -14.159 2.722 5.389 1.00 4.41 H new ATOM 0 HB3 ALA A 58 -13.563 4.397 5.461 1.00 4.41 H new ATOM 714 N ASN A 59 -14.458 6.314 3.489 1.00 43.20 N ATOM 715 CA ASN A 59 -14.551 7.760 3.398 1.00 44.25 C ATOM 716 C ASN A 59 -15.506 8.163 2.302 1.00 13.24 C ATOM 717 O ASN A 59 -16.231 9.155 2.433 1.00 74.14 O ATOM 718 CB ASN A 59 -13.151 8.284 3.060 1.00 13.22 C ATOM 719 CG ASN A 59 -13.022 9.780 3.010 1.00 11.12 C ATOM 720 OD1 ASN A 59 -13.260 10.413 1.984 1.00 42.24 O ATOM 721 ND2 ASN A 59 -12.613 10.357 4.109 1.00 71.13 N ATOM 0 H ASN A 59 -13.516 5.977 3.291 1.00 43.20 H new ATOM 0 HA ASN A 59 -14.917 8.171 4.339 1.00 44.25 H new ATOM 0 HB2 ASN A 59 -12.448 7.899 3.799 1.00 13.22 H new ATOM 0 HB3 ASN A 59 -12.852 7.877 2.094 1.00 13.22 H new ATOM 0 HD21 ASN A 59 -12.481 11.368 4.135 1.00 71.13 H new ATOM 0 HD22 ASN A 59 -12.426 9.796 4.940 1.00 71.13 H new ATOM 728 N GLN A 60 -15.489 7.378 1.230 1.00 42.51 N ATOM 729 CA GLN A 60 -16.193 7.663 -0.010 1.00 40.54 C ATOM 730 C GLN A 60 -15.420 8.679 -0.802 1.00 33.41 C ATOM 731 O GLN A 60 -15.650 9.888 -0.694 1.00 25.52 O ATOM 732 CB GLN A 60 -17.661 8.095 0.182 1.00 1.43 C ATOM 733 CG GLN A 60 -18.581 6.993 0.677 1.00 21.34 C ATOM 734 CD GLN A 60 -18.717 5.875 -0.329 1.00 74.15 C ATOM 735 OE1 GLN A 60 -17.950 4.918 -0.309 1.00 14.51 O ATOM 736 NE2 GLN A 60 -19.672 6.000 -1.225 1.00 31.34 N ATOM 0 H GLN A 60 -14.969 6.501 1.202 1.00 42.51 H new ATOM 0 HA GLN A 60 -16.251 6.726 -0.564 1.00 40.54 H new ATOM 0 HB2 GLN A 60 -17.693 8.923 0.890 1.00 1.43 H new ATOM 0 HB3 GLN A 60 -18.043 8.471 -0.767 1.00 1.43 H new ATOM 0 HG2 GLN A 60 -18.195 6.592 1.614 1.00 21.34 H new ATOM 0 HG3 GLN A 60 -19.565 7.411 0.890 1.00 21.34 H new ATOM 0 HE21 GLN A 60 -20.288 6.813 -1.204 1.00 31.34 H new ATOM 0 HE22 GLN A 60 -19.797 5.284 -1.940 1.00 31.34 H new ATOM 745 N ALA A 61 -14.454 8.191 -1.557 1.00 4.33 N ATOM 746 CA ALA A 61 -13.612 9.049 -2.354 1.00 22.33 C ATOM 747 C ALA A 61 -14.439 9.707 -3.435 1.00 51.25 C ATOM 748 O ALA A 61 -15.332 9.079 -4.024 1.00 21.15 O ATOM 749 CB ALA A 61 -12.469 8.259 -2.957 1.00 45.14 C ATOM 0 H ALA A 61 -14.236 7.197 -1.632 1.00 4.33 H new ATOM 0 HA ALA A 61 -13.184 9.823 -1.717 1.00 22.33 H new ATOM 0 HB1 ALA A 61 -11.844 8.922 -3.555 1.00 45.14 H new ATOM 0 HB2 ALA A 61 -11.871 7.818 -2.160 1.00 45.14 H new ATOM 0 HB3 ALA A 61 -12.868 7.467 -3.591 1.00 45.14 H new ATOM 755 N SER A 62 -14.161 10.960 -3.693 1.00 65.24 N ATOM 756 CA SER A 62 -14.912 11.712 -4.652 1.00 24.55 C ATOM 757 C SER A 62 -14.016 12.119 -5.823 1.00 24.12 C ATOM 758 O SER A 62 -13.479 13.228 -5.856 1.00 63.34 O ATOM 759 CB SER A 62 -15.545 12.942 -3.977 1.00 5.41 C ATOM 760 OG SER A 62 -16.509 13.556 -4.817 1.00 53.11 O ATOM 0 H SER A 62 -13.409 11.482 -3.243 1.00 65.24 H new ATOM 0 HA SER A 62 -15.716 11.091 -5.046 1.00 24.55 H new ATOM 0 HB2 SER A 62 -16.015 12.643 -3.040 1.00 5.41 H new ATOM 0 HB3 SER A 62 -14.766 13.663 -3.727 1.00 5.41 H new ATOM 0 HG SER A 62 -16.894 14.333 -4.360 1.00 53.11 H new ATOM 766 N ALA A 63 -13.843 11.190 -6.756 1.00 71.51 N ATOM 767 CA ALA A 63 -13.026 11.369 -7.946 1.00 20.54 C ATOM 768 C ALA A 63 -13.168 10.131 -8.809 1.00 11.15 C ATOM 769 O ALA A 63 -13.771 10.159 -9.882 1.00 61.13 O ATOM 770 CB ALA A 63 -11.553 11.590 -7.582 1.00 33.25 C ATOM 0 H ALA A 63 -14.279 10.269 -6.703 1.00 71.51 H new ATOM 0 HA ALA A 63 -13.365 12.253 -8.486 1.00 20.54 H new ATOM 0 HB1 ALA A 63 -10.969 11.720 -8.493 1.00 33.25 H new ATOM 0 HB2 ALA A 63 -11.461 12.481 -6.961 1.00 33.25 H new ATOM 0 HB3 ALA A 63 -11.180 10.726 -7.033 1.00 33.25 H new ATOM 776 N THR A 64 -12.595 9.051 -8.336 1.00 3.51 N ATOM 777 CA THR A 64 -12.758 7.750 -8.931 1.00 63.42 C ATOM 778 C THR A 64 -12.661 6.718 -7.803 1.00 53.05 C ATOM 779 O THR A 64 -11.765 6.798 -6.974 1.00 64.21 O ATOM 780 CB THR A 64 -11.651 7.486 -9.985 1.00 13.45 C ATOM 781 OG1 THR A 64 -11.513 8.643 -10.836 1.00 32.44 O ATOM 782 CG2 THR A 64 -12.020 6.305 -10.852 1.00 3.10 C ATOM 0 H THR A 64 -11.993 9.053 -7.513 1.00 3.51 H new ATOM 0 HA THR A 64 -13.720 7.685 -9.439 1.00 63.42 H new ATOM 0 HB THR A 64 -10.718 7.280 -9.461 1.00 13.45 H new ATOM 0 HG1 THR A 64 -10.813 8.478 -11.501 1.00 32.44 H new ATOM 0 HG21 THR A 64 -11.233 6.133 -11.586 1.00 3.10 H new ATOM 0 HG22 THR A 64 -12.135 5.418 -10.229 1.00 3.10 H new ATOM 0 HG23 THR A 64 -12.958 6.511 -11.367 1.00 3.10 H new ATOM 790 N SER A 65 -13.602 5.801 -7.726 1.00 34.22 N ATOM 791 CA SER A 65 -13.525 4.748 -6.729 1.00 44.21 C ATOM 792 C SER A 65 -12.878 3.518 -7.326 1.00 12.33 C ATOM 793 O SER A 65 -12.413 2.640 -6.608 1.00 13.51 O ATOM 794 CB SER A 65 -14.900 4.444 -6.163 1.00 34.11 C ATOM 795 OG SER A 65 -15.497 5.637 -5.656 1.00 3.12 O ATOM 0 H SER A 65 -14.421 5.760 -8.333 1.00 34.22 H new ATOM 0 HA SER A 65 -12.903 5.086 -5.900 1.00 44.21 H new ATOM 0 HB2 SER A 65 -15.533 4.012 -6.938 1.00 34.11 H new ATOM 0 HB3 SER A 65 -14.819 3.703 -5.368 1.00 34.11 H new ATOM 0 HG SER A 65 -16.384 5.431 -5.295 1.00 3.12 H new ATOM 801 N GLU A 66 -12.842 3.481 -8.649 1.00 52.22 N ATOM 802 CA GLU A 66 -12.095 2.479 -9.381 1.00 60.52 C ATOM 803 C GLU A 66 -10.640 2.604 -8.999 1.00 21.13 C ATOM 804 O GLU A 66 -9.957 1.619 -8.778 1.00 60.12 O ATOM 805 CB GLU A 66 -12.264 2.735 -10.879 1.00 53.20 C ATOM 806 CG GLU A 66 -11.460 1.822 -11.777 1.00 43.22 C ATOM 807 CD GLU A 66 -11.845 0.374 -11.659 1.00 74.22 C ATOM 808 OE1 GLU A 66 -12.797 -0.051 -12.345 1.00 1.23 O ATOM 809 OE2 GLU A 66 -11.186 -0.358 -10.908 1.00 74.41 O ATOM 0 H GLU A 66 -13.333 4.149 -9.244 1.00 52.22 H new ATOM 0 HA GLU A 66 -12.454 1.477 -9.146 1.00 60.52 H new ATOM 0 HB2 GLU A 66 -13.319 2.633 -11.133 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -11.983 3.767 -11.090 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -11.586 2.140 -12.812 1.00 43.22 H new ATOM 0 HG3 GLU A 66 -10.402 1.929 -11.537 1.00 43.22 H new ATOM 816 N GLU A 67 -10.193 3.840 -8.902 1.00 2.32 N ATOM 817 CA GLU A 67 -8.861 4.165 -8.504 1.00 44.13 C ATOM 818 C GLU A 67 -8.894 5.470 -7.743 1.00 32.12 C ATOM 819 O GLU A 67 -9.284 6.499 -8.285 1.00 41.25 O ATOM 820 CB GLU A 67 -7.932 4.277 -9.724 1.00 40.15 C ATOM 821 CG GLU A 67 -8.416 5.218 -10.818 1.00 3.23 C ATOM 822 CD GLU A 67 -7.394 5.408 -11.910 1.00 5.12 C ATOM 823 OE1 GLU A 67 -7.336 4.572 -12.842 1.00 45.40 O ATOM 824 OE2 GLU A 67 -6.645 6.406 -11.856 1.00 1.31 O ATOM 0 H GLU A 67 -10.769 4.657 -9.105 1.00 2.32 H new ATOM 0 HA GLU A 67 -8.469 3.372 -7.868 1.00 44.13 H new ATOM 0 HB2 GLU A 67 -6.952 4.612 -9.385 1.00 40.15 H new ATOM 0 HB3 GLU A 67 -7.799 3.284 -10.153 1.00 40.15 H new ATOM 0 HG2 GLU A 67 -9.336 4.825 -11.250 1.00 3.23 H new ATOM 0 HG3 GLU A 67 -8.658 6.186 -10.379 1.00 3.23 H new ATOM 831 N CYS A 68 -8.540 5.416 -6.489 1.00 72.24 N ATOM 832 CA CYS A 68 -8.420 6.614 -5.701 1.00 45.14 C ATOM 833 C CYS A 68 -7.345 7.502 -6.314 1.00 61.34 C ATOM 834 O CYS A 68 -7.625 8.590 -6.814 1.00 0.40 O ATOM 835 CB CYS A 68 -8.052 6.248 -4.256 1.00 50.14 C ATOM 836 SG CYS A 68 -7.700 7.675 -3.186 1.00 70.34 S ATOM 0 H CYS A 68 -8.329 4.553 -5.988 1.00 72.24 H new ATOM 0 HA CYS A 68 -9.369 7.151 -5.691 1.00 45.14 H new ATOM 0 HB2 CYS A 68 -8.870 5.675 -3.820 1.00 50.14 H new ATOM 0 HB3 CYS A 68 -7.179 5.596 -4.270 1.00 50.14 H new ATOM 841 N THR A 69 -6.128 7.011 -6.271 1.00 63.32 N ATOM 842 CA THR A 69 -4.960 7.647 -6.855 1.00 43.21 C ATOM 843 C THR A 69 -3.840 6.607 -6.960 1.00 44.44 C ATOM 844 O THR A 69 -3.610 5.860 -6.011 1.00 3.10 O ATOM 845 CB THR A 69 -4.481 8.807 -5.965 1.00 14.44 C ATOM 846 OG1 THR A 69 -4.812 8.520 -4.604 1.00 20.43 O ATOM 847 CG2 THR A 69 -5.055 10.152 -6.386 1.00 73.35 C ATOM 0 H THR A 69 -5.912 6.126 -5.813 1.00 63.32 H new ATOM 0 HA THR A 69 -5.217 8.038 -7.839 1.00 43.21 H new ATOM 0 HB THR A 69 -3.400 8.890 -6.079 1.00 14.44 H new ATOM 0 HG1 THR A 69 -5.624 9.009 -4.355 1.00 20.43 H new ATOM 0 HG21 THR A 69 -4.681 10.931 -5.721 1.00 73.35 H new ATOM 0 HG22 THR A 69 -4.752 10.372 -7.410 1.00 73.35 H new ATOM 0 HG23 THR A 69 -6.143 10.117 -6.329 1.00 73.35 H new ATOM 855 N VAL A 70 -3.149 6.541 -8.080 1.00 44.43 N ATOM 856 CA VAL A 70 -2.052 5.586 -8.226 1.00 22.34 C ATOM 857 C VAL A 70 -0.850 6.213 -8.939 1.00 41.12 C ATOM 858 O VAL A 70 -1.008 7.099 -9.779 1.00 10.03 O ATOM 859 CB VAL A 70 -2.505 4.286 -8.952 1.00 14.03 C ATOM 860 CG1 VAL A 70 -2.721 4.514 -10.438 1.00 62.10 C ATOM 861 CG2 VAL A 70 -1.532 3.140 -8.697 1.00 2.11 C ATOM 0 H VAL A 70 -3.319 7.127 -8.898 1.00 44.43 H new ATOM 0 HA VAL A 70 -1.741 5.311 -7.218 1.00 22.34 H new ATOM 0 HB VAL A 70 -3.468 4.000 -8.530 1.00 14.03 H new ATOM 0 HG11 VAL A 70 -3.036 3.582 -10.907 1.00 62.10 H new ATOM 0 HG12 VAL A 70 -3.492 5.271 -10.582 1.00 62.10 H new ATOM 0 HG13 VAL A 70 -1.790 4.852 -10.893 1.00 62.10 H new ATOM 0 HG21 VAL A 70 -1.877 2.247 -9.218 1.00 2.11 H new ATOM 0 HG22 VAL A 70 -0.543 3.414 -9.063 1.00 2.11 H new ATOM 0 HG23 VAL A 70 -1.480 2.938 -7.627 1.00 2.11 H new ATOM 871 N ALA A 71 0.341 5.778 -8.559 1.00 42.23 N ATOM 872 CA ALA A 71 1.572 6.230 -9.183 1.00 74.24 C ATOM 873 C ALA A 71 2.547 5.083 -9.276 1.00 43.12 C ATOM 874 O ALA A 71 2.655 4.263 -8.355 1.00 4.24 O ATOM 875 CB ALA A 71 2.185 7.359 -8.381 1.00 43.24 C ATOM 0 H ALA A 71 0.480 5.101 -7.809 1.00 42.23 H new ATOM 0 HA ALA A 71 1.345 6.594 -10.185 1.00 74.24 H new ATOM 0 HB1 ALA A 71 3.107 7.687 -8.861 1.00 43.24 H new ATOM 0 HB2 ALA A 71 1.485 8.193 -8.332 1.00 43.24 H new ATOM 0 HB3 ALA A 71 2.405 7.011 -7.372 1.00 43.24 H new ATOM 881 N TRP A 72 3.266 5.025 -10.377 1.00 34.34 N ATOM 882 CA TRP A 72 4.246 4.000 -10.565 1.00 11.12 C ATOM 883 C TRP A 72 5.617 4.566 -10.240 1.00 73.13 C ATOM 884 O TRP A 72 5.891 5.746 -10.486 1.00 30.52 O ATOM 885 CB TRP A 72 4.255 3.496 -12.008 1.00 12.32 C ATOM 886 CG TRP A 72 2.902 3.199 -12.615 1.00 21.25 C ATOM 887 CD1 TRP A 72 2.436 3.639 -13.819 1.00 21.54 C ATOM 888 CD2 TRP A 72 1.843 2.421 -12.048 1.00 43.33 C ATOM 889 NE1 TRP A 72 1.168 3.174 -14.040 1.00 15.34 N ATOM 890 CE2 TRP A 72 0.775 2.429 -12.969 1.00 32.31 C ATOM 891 CE3 TRP A 72 1.691 1.726 -10.858 1.00 14.23 C ATOM 892 CZ2 TRP A 72 -0.420 1.761 -12.730 1.00 32.30 C ATOM 893 CZ3 TRP A 72 0.501 1.062 -10.625 1.00 53.02 C ATOM 894 CH2 TRP A 72 -0.537 1.083 -11.557 1.00 64.54 C ATOM 0 H TRP A 72 3.183 5.682 -11.152 1.00 34.34 H new ATOM 0 HA TRP A 72 4.000 3.166 -9.908 1.00 11.12 H new ATOM 0 HB2 TRP A 72 4.754 4.240 -12.629 1.00 12.32 H new ATOM 0 HB3 TRP A 72 4.858 2.589 -12.051 1.00 12.32 H new ATOM 0 HD1 TRP A 72 2.990 4.266 -14.502 1.00 21.54 H new ATOM 0 HE1 TRP A 72 0.607 3.356 -14.872 1.00 15.34 H new ATOM 0 HE3 TRP A 72 2.486 1.704 -10.128 1.00 14.23 H new ATOM 0 HZ2 TRP A 72 -1.226 1.780 -13.449 1.00 32.30 H new ATOM 0 HZ3 TRP A 72 0.372 0.516 -9.702 1.00 53.02 H new ATOM 0 HH2 TRP A 72 -1.452 0.550 -11.343 1.00 64.54 H new ATOM 905 N GLY A 73 6.445 3.747 -9.675 1.00 31.13 N ATOM 906 CA GLY A 73 7.780 4.130 -9.356 1.00 21.35 C ATOM 907 C GLY A 73 8.753 3.609 -10.374 1.00 45.02 C ATOM 908 O GLY A 73 8.603 2.483 -10.853 1.00 74.01 O ATOM 0 H GLY A 73 6.211 2.787 -9.421 1.00 31.13 H new ATOM 0 HA2 GLY A 73 7.847 5.217 -9.308 1.00 21.35 H new ATOM 0 HA3 GLY A 73 8.044 3.750 -8.369 1.00 21.35 H new ATOM 912 N VAL A 74 9.767 4.403 -10.689 1.00 25.05 N ATOM 913 CA VAL A 74 10.798 4.020 -11.674 1.00 63.34 C ATOM 914 C VAL A 74 11.570 2.810 -11.153 1.00 52.21 C ATOM 915 O VAL A 74 12.148 2.029 -11.910 1.00 21.00 O ATOM 916 CB VAL A 74 11.792 5.183 -11.913 1.00 31.43 C ATOM 917 CG1 VAL A 74 12.814 4.833 -12.985 1.00 24.03 C ATOM 918 CG2 VAL A 74 11.057 6.456 -12.277 1.00 41.11 C ATOM 0 H VAL A 74 9.908 5.326 -10.279 1.00 25.05 H new ATOM 0 HA VAL A 74 10.303 3.780 -12.615 1.00 63.34 H new ATOM 0 HB VAL A 74 12.330 5.349 -10.980 1.00 31.43 H new ATOM 0 HG11 VAL A 74 13.495 5.672 -13.126 1.00 24.03 H new ATOM 0 HG12 VAL A 74 13.380 3.954 -12.675 1.00 24.03 H new ATOM 0 HG13 VAL A 74 12.300 4.621 -13.923 1.00 24.03 H new ATOM 0 HG21 VAL A 74 11.777 7.258 -12.440 1.00 41.11 H new ATOM 0 HG22 VAL A 74 10.480 6.295 -13.188 1.00 41.11 H new ATOM 0 HG23 VAL A 74 10.384 6.732 -11.465 1.00 41.11 H new ATOM 928 N CYS A 75 11.528 2.659 -9.853 1.00 63.22 N ATOM 929 CA CYS A 75 12.205 1.618 -9.135 1.00 21.34 C ATOM 930 C CYS A 75 11.388 0.313 -9.163 1.00 65.15 C ATOM 931 O CYS A 75 11.555 -0.561 -8.305 1.00 14.31 O ATOM 932 CB CYS A 75 12.371 2.106 -7.709 1.00 64.03 C ATOM 933 SG CYS A 75 10.823 2.774 -7.004 1.00 72.11 S ATOM 0 H CYS A 75 10.999 3.285 -9.245 1.00 63.22 H new ATOM 0 HA CYS A 75 13.171 1.402 -9.591 1.00 21.34 H new ATOM 0 HB2 CYS A 75 12.723 1.283 -7.087 1.00 64.03 H new ATOM 0 HB3 CYS A 75 13.140 2.878 -7.681 1.00 64.03 H new ATOM 938 N ASN A 76 10.503 0.202 -10.166 1.00 41.24 N ATOM 939 CA ASN A 76 9.649 -0.963 -10.380 1.00 74.42 C ATOM 940 C ASN A 76 8.722 -1.149 -9.192 1.00 4.04 C ATOM 941 O ASN A 76 8.505 -2.254 -8.683 1.00 13.20 O ATOM 942 CB ASN A 76 10.486 -2.223 -10.651 1.00 21.14 C ATOM 943 CG ASN A 76 9.647 -3.412 -11.107 1.00 32.23 C ATOM 944 OD1 ASN A 76 8.583 -3.248 -11.703 1.00 74.23 O ATOM 945 ND2 ASN A 76 10.121 -4.603 -10.843 1.00 2.35 N ATOM 0 H ASN A 76 10.363 0.936 -10.860 1.00 41.24 H new ATOM 0 HA ASN A 76 9.038 -0.793 -11.266 1.00 74.42 H new ATOM 0 HB2 ASN A 76 11.232 -1.999 -11.413 1.00 21.14 H new ATOM 0 HB3 ASN A 76 11.027 -2.494 -9.745 1.00 21.14 H new ATOM 0 HD21 ASN A 76 9.605 -5.433 -11.133 1.00 2.35 H new ATOM 0 HD22 ASN A 76 11.007 -4.701 -10.347 1.00 2.35 H new ATOM 952 N HIS A 77 8.192 -0.043 -8.749 1.00 64.40 N ATOM 953 CA HIS A 77 7.269 -0.024 -7.648 1.00 52.22 C ATOM 954 C HIS A 77 5.940 0.520 -8.053 1.00 72.20 C ATOM 955 O HIS A 77 5.834 1.254 -9.015 1.00 51.23 O ATOM 956 CB HIS A 77 7.804 0.751 -6.468 1.00 64.10 C ATOM 957 CG HIS A 77 8.637 -0.047 -5.533 1.00 33.23 C ATOM 958 ND1 HIS A 77 8.619 -1.368 -5.246 1.00 31.30 N flip ATOM 959 CD2 HIS A 77 9.557 0.516 -4.680 1.00 15.01 C flip ATOM 960 CE1 HIS A 77 9.510 -1.568 -4.237 1.00 51.34 C flip ATOM 961 NE2 HIS A 77 10.054 -0.428 -3.916 1.00 51.11 N flip ATOM 0 H HIS A 77 8.389 0.876 -9.144 1.00 64.40 H new ATOM 0 HA HIS A 77 7.142 -1.062 -7.341 1.00 52.22 H new ATOM 0 HB2 HIS A 77 8.396 1.588 -6.838 1.00 64.10 H new ATOM 0 HB3 HIS A 77 6.964 1.173 -5.916 1.00 64.10 H new ATOM 0 HD1 HIS A 77 8.046 -2.080 -5.700 1.00 31.30 H new ATOM 0 HD2 HIS A 77 9.826 1.561 -4.645 1.00 15.01 H new ATOM 0 HE1 HIS A 77 9.731 -2.519 -3.776 1.00 51.34 H new ATOM 969 N ALA A 78 4.930 0.143 -7.324 1.00 64.45 N ATOM 970 CA ALA A 78 3.610 0.622 -7.569 1.00 43.22 C ATOM 971 C ALA A 78 2.924 0.882 -6.247 1.00 33.12 C ATOM 972 O ALA A 78 2.825 -0.011 -5.408 1.00 75.23 O ATOM 973 CB ALA A 78 2.849 -0.405 -8.376 1.00 73.55 C ATOM 0 H ALA A 78 5.004 -0.507 -6.542 1.00 64.45 H new ATOM 0 HA ALA A 78 3.644 1.553 -8.135 1.00 43.22 H new ATOM 0 HB1 ALA A 78 1.839 -0.043 -8.566 1.00 73.55 H new ATOM 0 HB2 ALA A 78 3.359 -0.573 -9.325 1.00 73.55 H new ATOM 0 HB3 ALA A 78 2.800 -1.341 -7.820 1.00 73.55 H new ATOM 979 N PHE A 79 2.493 2.103 -6.053 1.00 71.43 N ATOM 980 CA PHE A 79 1.802 2.496 -4.841 1.00 11.44 C ATOM 981 C PHE A 79 0.673 3.430 -5.193 1.00 24.45 C ATOM 982 O PHE A 79 0.551 3.864 -6.338 1.00 52.40 O ATOM 983 CB PHE A 79 2.750 3.202 -3.864 1.00 72.32 C ATOM 984 CG PHE A 79 3.915 2.365 -3.406 1.00 61.01 C ATOM 985 CD1 PHE A 79 3.773 1.415 -2.406 1.00 61.25 C ATOM 986 CD2 PHE A 79 5.158 2.533 -3.982 1.00 74.31 C ATOM 987 CE1 PHE A 79 4.854 0.651 -1.999 1.00 75.24 C ATOM 988 CE2 PHE A 79 6.230 1.775 -3.578 1.00 60.30 C ATOM 989 CZ PHE A 79 6.080 0.842 -2.592 1.00 60.54 C ATOM 0 H PHE A 79 2.609 2.857 -6.730 1.00 71.43 H new ATOM 0 HA PHE A 79 1.418 1.597 -4.360 1.00 11.44 H new ATOM 0 HB2 PHE A 79 3.133 4.105 -4.339 1.00 72.32 H new ATOM 0 HB3 PHE A 79 2.181 3.518 -2.990 1.00 72.32 H new ATOM 0 HD1 PHE A 79 2.810 1.269 -1.940 1.00 61.25 H new ATOM 0 HD2 PHE A 79 5.290 3.270 -4.760 1.00 74.31 H new ATOM 0 HE1 PHE A 79 4.735 -0.089 -1.222 1.00 75.24 H new ATOM 0 HE2 PHE A 79 7.195 1.917 -4.042 1.00 60.30 H new ATOM 0 HZ PHE A 79 6.928 0.252 -2.277 1.00 60.54 H new ATOM 999 N HIS A 80 -0.162 3.740 -4.236 1.00 61.22 N ATOM 1000 CA HIS A 80 -1.160 4.730 -4.464 1.00 72.43 C ATOM 1001 C HIS A 80 -0.499 6.071 -4.430 1.00 55.41 C ATOM 1002 O HIS A 80 0.330 6.316 -3.565 1.00 71.34 O ATOM 1003 CB HIS A 80 -2.231 4.693 -3.387 1.00 32.45 C ATOM 1004 CG HIS A 80 -3.292 3.654 -3.560 1.00 75.22 C ATOM 1005 ND1 HIS A 80 -3.899 3.032 -2.492 1.00 32.32 N ATOM 1006 CD2 HIS A 80 -3.922 3.177 -4.667 1.00 65.44 C ATOM 1007 CE1 HIS A 80 -4.856 2.234 -2.935 1.00 2.11 C ATOM 1008 NE2 HIS A 80 -4.889 2.306 -4.241 1.00 64.41 N ATOM 0 H HIS A 80 -0.165 3.323 -3.305 1.00 61.22 H new ATOM 0 HA HIS A 80 -1.633 4.539 -5.427 1.00 72.43 H new ATOM 0 HB2 HIS A 80 -1.746 4.533 -2.424 1.00 32.45 H new ATOM 0 HB3 HIS A 80 -2.710 5.671 -3.344 1.00 32.45 H new ATOM 0 HD2 HIS A 80 -3.701 3.437 -5.692 1.00 65.44 H new ATOM 0 HE1 HIS A 80 -5.503 1.624 -2.321 1.00 2.11 H new ATOM 0 HE2 HIS A 80 -5.532 1.795 -4.845 1.00 64.41 H new ATOM 1016 N PHE A 81 -0.864 6.940 -5.345 1.00 1.11 N ATOM 1017 CA PHE A 81 -0.297 8.271 -5.377 1.00 72.31 C ATOM 1018 C PHE A 81 -0.586 8.982 -4.067 1.00 53.41 C ATOM 1019 O PHE A 81 0.264 9.661 -3.530 1.00 11.12 O ATOM 1020 CB PHE A 81 -0.742 9.068 -6.615 1.00 4.44 C ATOM 1021 CG PHE A 81 -0.176 10.461 -6.696 1.00 30.12 C ATOM 1022 CD1 PHE A 81 1.150 10.658 -7.025 1.00 41.20 C ATOM 1023 CD2 PHE A 81 -0.971 11.565 -6.462 1.00 1.45 C ATOM 1024 CE1 PHE A 81 1.679 11.930 -7.106 1.00 75.40 C ATOM 1025 CE2 PHE A 81 -0.449 12.841 -6.541 1.00 25.35 C ATOM 1026 CZ PHE A 81 0.876 13.022 -6.871 1.00 14.02 C ATOM 0 H PHE A 81 -1.550 6.751 -6.076 1.00 1.11 H new ATOM 0 HA PHE A 81 0.785 8.188 -5.476 1.00 72.31 H new ATOM 0 HB2 PHE A 81 -0.450 8.518 -7.510 1.00 4.44 H new ATOM 0 HB3 PHE A 81 -1.830 9.130 -6.620 1.00 4.44 H new ATOM 0 HD1 PHE A 81 1.782 9.805 -7.222 1.00 41.20 H new ATOM 0 HD2 PHE A 81 -2.013 11.429 -6.214 1.00 1.45 H new ATOM 0 HE1 PHE A 81 2.721 12.068 -7.353 1.00 75.40 H new ATOM 0 HE2 PHE A 81 -1.079 13.696 -6.344 1.00 25.35 H new ATOM 0 HZ PHE A 81 1.284 14.019 -6.945 1.00 14.02 H new ATOM 1036 N HIS A 82 -1.784 8.794 -3.552 1.00 31.32 N ATOM 1037 CA HIS A 82 -2.167 9.357 -2.257 1.00 22.30 C ATOM 1038 C HIS A 82 -1.244 8.854 -1.153 1.00 51.24 C ATOM 1039 O HIS A 82 -0.678 9.648 -0.394 1.00 61.45 O ATOM 1040 CB HIS A 82 -3.618 8.952 -1.949 1.00 60.34 C ATOM 1041 CG HIS A 82 -4.111 9.233 -0.555 1.00 12.31 C ATOM 1042 ND1 HIS A 82 -5.083 8.470 0.063 1.00 21.31 N ATOM 1043 CD2 HIS A 82 -3.767 10.189 0.334 1.00 30.00 C ATOM 1044 CE1 HIS A 82 -5.310 8.961 1.275 1.00 2.43 C ATOM 1045 NE2 HIS A 82 -4.529 10.003 1.459 1.00 22.11 N ATOM 0 H HIS A 82 -2.519 8.253 -4.008 1.00 31.32 H new ATOM 0 HA HIS A 82 -2.082 10.443 -2.301 1.00 22.30 H new ATOM 0 HB2 HIS A 82 -4.273 9.466 -2.653 1.00 60.34 H new ATOM 0 HB3 HIS A 82 -3.722 7.884 -2.139 1.00 60.34 H new ATOM 0 HD2 HIS A 82 -3.026 10.961 0.186 1.00 30.00 H new ATOM 0 HE1 HIS A 82 -6.018 8.570 1.991 1.00 2.43 H new ATOM 0 HE2 HIS A 82 -4.495 10.578 2.300 1.00 22.11 H new ATOM 1053 N CYS A 83 -1.089 7.554 -1.079 1.00 54.45 N ATOM 1054 CA CYS A 83 -0.323 6.942 -0.026 1.00 22.11 C ATOM 1055 C CYS A 83 1.153 7.267 -0.164 1.00 0.32 C ATOM 1056 O CYS A 83 1.819 7.623 0.815 1.00 42.00 O ATOM 1057 CB CYS A 83 -0.547 5.439 -0.058 1.00 62.41 C ATOM 1058 SG CYS A 83 -2.296 4.968 0.081 1.00 71.22 S ATOM 0 H CYS A 83 -1.490 6.894 -1.746 1.00 54.45 H new ATOM 0 HA CYS A 83 -0.656 7.339 0.933 1.00 22.11 H new ATOM 0 HB2 CYS A 83 -0.143 5.039 -0.988 1.00 62.41 H new ATOM 0 HB3 CYS A 83 0.012 4.978 0.757 1.00 62.41 H new ATOM 1063 N ILE A 84 1.658 7.180 -1.383 1.00 0.21 N ATOM 1064 CA ILE A 84 3.067 7.462 -1.625 1.00 73.30 C ATOM 1065 C ILE A 84 3.377 8.942 -1.361 1.00 41.04 C ATOM 1066 O ILE A 84 4.418 9.269 -0.827 1.00 22.45 O ATOM 1067 CB ILE A 84 3.543 7.025 -3.047 1.00 2.43 C ATOM 1068 CG1 ILE A 84 5.063 7.044 -3.129 1.00 1.11 C ATOM 1069 CG2 ILE A 84 2.964 7.901 -4.130 1.00 3.00 C ATOM 1070 CD1 ILE A 84 5.743 6.011 -2.259 1.00 23.22 C ATOM 0 H ILE A 84 1.124 6.920 -2.212 1.00 0.21 H new ATOM 0 HA ILE A 84 3.635 6.856 -0.919 1.00 73.30 H new ATOM 0 HB ILE A 84 3.182 6.009 -3.208 1.00 2.43 H new ATOM 0 HG12 ILE A 84 5.362 6.884 -4.165 1.00 1.11 H new ATOM 0 HG13 ILE A 84 5.419 8.034 -2.844 1.00 1.11 H new ATOM 0 HG21 ILE A 84 3.321 7.562 -5.102 1.00 3.00 H new ATOM 0 HG22 ILE A 84 1.876 7.842 -4.102 1.00 3.00 H new ATOM 0 HG23 ILE A 84 3.276 8.933 -3.969 1.00 3.00 H new ATOM 0 HD11 ILE A 84 6.824 6.092 -2.376 1.00 23.22 H new ATOM 0 HD12 ILE A 84 5.477 6.182 -1.216 1.00 23.22 H new ATOM 0 HD13 ILE A 84 5.419 5.014 -2.557 1.00 23.22 H new ATOM 1082 N SER A 85 2.448 9.827 -1.710 1.00 54.31 N ATOM 1083 CA SER A 85 2.628 11.253 -1.480 1.00 21.43 C ATOM 1084 C SER A 85 2.783 11.574 0.003 1.00 64.33 C ATOM 1085 O SER A 85 3.655 12.359 0.379 1.00 75.03 O ATOM 1086 CB SER A 85 1.483 12.055 -2.084 1.00 54.22 C ATOM 1087 OG SER A 85 1.467 11.941 -3.502 1.00 61.43 O ATOM 0 H SER A 85 1.563 9.580 -2.153 1.00 54.31 H new ATOM 0 HA SER A 85 3.553 11.543 -1.979 1.00 21.43 H new ATOM 0 HB2 SER A 85 0.535 11.703 -1.678 1.00 54.22 H new ATOM 0 HB3 SER A 85 1.581 13.103 -1.802 1.00 54.22 H new ATOM 0 HG SER A 85 0.885 11.197 -3.764 1.00 61.43 H new ATOM 1093 N ARG A 86 1.954 10.955 0.836 1.00 31.45 N ATOM 1094 CA ARG A 86 2.066 11.107 2.285 1.00 75.14 C ATOM 1095 C ARG A 86 3.389 10.538 2.765 1.00 10.43 C ATOM 1096 O ARG A 86 4.078 11.131 3.615 1.00 20.11 O ATOM 1097 CB ARG A 86 0.931 10.351 2.970 1.00 43.33 C ATOM 1098 CG ARG A 86 -0.446 10.947 2.769 1.00 40.04 C ATOM 1099 CD ARG A 86 -0.582 12.266 3.500 1.00 53.14 C ATOM 1100 NE ARG A 86 -1.870 12.900 3.259 1.00 1.04 N ATOM 1101 CZ ARG A 86 -2.512 13.656 4.148 1.00 54.40 C ATOM 1102 NH1 ARG A 86 -2.018 13.829 5.382 1.00 42.43 N ATOM 1103 NH2 ARG A 86 -3.664 14.223 3.812 1.00 64.41 N ATOM 0 H ARG A 86 1.196 10.343 0.534 1.00 31.45 H new ATOM 0 HA ARG A 86 2.010 12.167 2.532 1.00 75.14 H new ATOM 0 HB2 ARG A 86 0.924 9.325 2.602 1.00 43.33 H new ATOM 0 HB3 ARG A 86 1.138 10.305 4.039 1.00 43.33 H new ATOM 0 HG2 ARG A 86 -0.629 11.097 1.705 1.00 40.04 H new ATOM 0 HG3 ARG A 86 -1.203 10.250 3.127 1.00 40.04 H new ATOM 0 HD2 ARG A 86 -0.455 12.101 4.570 1.00 53.14 H new ATOM 0 HD3 ARG A 86 0.216 12.938 3.184 1.00 53.14 H new ATOM 0 HE ARG A 86 -2.310 12.756 2.350 1.00 1.04 H new ATOM 0 HH11 ARG A 86 -1.142 13.380 5.648 1.00 42.43 H new ATOM 0 HH12 ARG A 86 -2.518 14.410 6.055 1.00 42.43 H new ATOM 0 HH21 ARG A 86 -4.051 14.078 2.879 1.00 64.41 H new ATOM 0 HH22 ARG A 86 -4.163 14.804 4.486 1.00 64.41 H new ATOM 1117 N TRP A 87 3.751 9.406 2.190 1.00 2.02 N ATOM 1118 CA TRP A 87 4.981 8.730 2.514 1.00 45.01 C ATOM 1119 C TRP A 87 6.172 9.614 2.199 1.00 20.34 C ATOM 1120 O TRP A 87 7.035 9.811 3.022 1.00 43.54 O ATOM 1121 CB TRP A 87 5.075 7.424 1.722 1.00 12.12 C ATOM 1122 CG TRP A 87 6.386 6.752 1.854 1.00 13.05 C ATOM 1123 CD1 TRP A 87 7.376 6.705 0.916 1.00 45.30 C ATOM 1124 CD2 TRP A 87 6.870 6.050 2.999 1.00 31.41 C ATOM 1125 NE1 TRP A 87 8.435 6.008 1.413 1.00 14.22 N ATOM 1126 CE2 TRP A 87 8.157 5.597 2.688 1.00 52.22 C ATOM 1127 CE3 TRP A 87 6.336 5.763 4.254 1.00 14.34 C ATOM 1128 CZ2 TRP A 87 8.929 4.868 3.589 1.00 11.02 C ATOM 1129 CZ3 TRP A 87 7.098 5.043 5.154 1.00 62.33 C ATOM 1130 CH2 TRP A 87 8.386 4.601 4.817 1.00 40.13 C ATOM 0 H TRP A 87 3.192 8.931 1.481 1.00 2.02 H new ATOM 0 HA TRP A 87 4.989 8.507 3.581 1.00 45.01 H new ATOM 0 HB2 TRP A 87 4.291 6.746 2.059 1.00 12.12 H new ATOM 0 HB3 TRP A 87 4.885 7.632 0.669 1.00 12.12 H new ATOM 0 HD1 TRP A 87 7.327 7.151 -0.067 1.00 45.30 H new ATOM 0 HE1 TRP A 87 9.303 5.821 0.911 1.00 14.22 H new ATOM 0 HE3 TRP A 87 5.344 6.098 4.518 1.00 14.34 H new ATOM 0 HZ2 TRP A 87 9.920 4.526 3.329 1.00 11.02 H new ATOM 0 HZ3 TRP A 87 6.696 4.817 6.131 1.00 62.33 H new ATOM 0 HH2 TRP A 87 8.960 4.040 5.540 1.00 40.13 H new ATOM 1141 N LEU A 88 6.167 10.168 1.012 1.00 2.31 N ATOM 1142 CA LEU A 88 7.234 11.020 0.502 1.00 34.20 C ATOM 1143 C LEU A 88 7.303 12.333 1.237 1.00 2.55 C ATOM 1144 O LEU A 88 8.356 12.957 1.324 1.00 1.05 O ATOM 1145 CB LEU A 88 7.037 11.225 -0.967 1.00 35.35 C ATOM 1146 CG LEU A 88 7.166 9.953 -1.780 1.00 2.35 C ATOM 1147 CD1 LEU A 88 6.715 10.194 -3.182 1.00 31.41 C ATOM 1148 CD2 LEU A 88 8.597 9.428 -1.749 1.00 34.10 C ATOM 0 H LEU A 88 5.403 10.040 0.349 1.00 2.31 H new ATOM 0 HA LEU A 88 8.190 10.524 0.670 1.00 34.20 H new ATOM 0 HB2 LEU A 88 6.050 11.656 -1.136 1.00 35.35 H new ATOM 0 HB3 LEU A 88 7.767 11.951 -1.325 1.00 35.35 H new ATOM 0 HG LEU A 88 6.526 9.191 -1.336 1.00 2.35 H new ATOM 0 HD11 LEU A 88 6.812 9.274 -3.758 1.00 31.41 H new ATOM 0 HD12 LEU A 88 5.673 10.513 -3.179 1.00 31.41 H new ATOM 0 HD13 LEU A 88 7.331 10.972 -3.634 1.00 31.41 H new ATOM 0 HD21 LEU A 88 8.662 8.515 -2.340 1.00 34.10 H new ATOM 0 HD22 LEU A 88 9.269 10.178 -2.165 1.00 34.10 H new ATOM 0 HD23 LEU A 88 8.884 9.215 -0.719 1.00 34.10 H new ATOM 1160 N LYS A 89 6.171 12.746 1.738 1.00 62.52 N ATOM 1161 CA LYS A 89 6.057 13.963 2.501 1.00 1.34 C ATOM 1162 C LYS A 89 6.943 13.854 3.750 1.00 64.34 C ATOM 1163 O LYS A 89 7.598 14.818 4.158 1.00 31.10 O ATOM 1164 CB LYS A 89 4.583 14.165 2.860 1.00 75.03 C ATOM 1165 CG LYS A 89 4.222 15.465 3.537 1.00 11.42 C ATOM 1166 CD LYS A 89 2.717 15.519 3.741 1.00 4.42 C ATOM 1167 CE LYS A 89 2.274 16.814 4.368 1.00 65.13 C ATOM 1168 NZ LYS A 89 0.796 16.865 4.522 1.00 63.41 N ATOM 0 H LYS A 89 5.291 12.243 1.628 1.00 62.52 H new ATOM 0 HA LYS A 89 6.395 14.827 1.929 1.00 1.34 H new ATOM 0 HB2 LYS A 89 3.996 14.083 1.945 1.00 75.03 H new ATOM 0 HB3 LYS A 89 4.276 13.346 3.510 1.00 75.03 H new ATOM 0 HG2 LYS A 89 4.734 15.544 4.496 1.00 11.42 H new ATOM 0 HG3 LYS A 89 4.550 16.309 2.930 1.00 11.42 H new ATOM 0 HD2 LYS A 89 2.217 15.393 2.781 1.00 4.42 H new ATOM 0 HD3 LYS A 89 2.408 14.687 4.373 1.00 4.42 H new ATOM 0 HE2 LYS A 89 2.747 16.928 5.343 1.00 65.13 H new ATOM 0 HE3 LYS A 89 2.606 17.650 3.753 1.00 65.13 H new ATOM 0 HZ1 LYS A 89 0.523 17.770 4.957 1.00 63.41 H new ATOM 0 HZ2 LYS A 89 0.347 16.780 3.588 1.00 63.41 H new ATOM 0 HZ3 LYS A 89 0.483 16.081 5.129 1.00 63.41 H new ATOM 1182 N THR A 90 6.972 12.658 4.328 1.00 22.15 N ATOM 1183 CA THR A 90 7.815 12.398 5.484 1.00 50.13 C ATOM 1184 C THR A 90 9.158 11.672 5.120 1.00 51.40 C ATOM 1185 O THR A 90 10.180 11.902 5.761 1.00 63.14 O ATOM 1186 CB THR A 90 7.026 11.640 6.606 1.00 74.30 C ATOM 1187 OG1 THR A 90 7.874 11.267 7.706 1.00 55.13 O ATOM 1188 CG2 THR A 90 6.314 10.408 6.061 1.00 43.42 C ATOM 0 H THR A 90 6.423 11.858 4.015 1.00 22.15 H new ATOM 0 HA THR A 90 8.104 13.372 5.879 1.00 50.13 H new ATOM 0 HB THR A 90 6.276 12.340 6.976 1.00 74.30 H new ATOM 0 HG1 THR A 90 7.343 10.799 8.384 1.00 55.13 H new ATOM 0 HG21 THR A 90 5.778 9.910 6.869 1.00 43.42 H new ATOM 0 HG22 THR A 90 5.607 10.709 5.288 1.00 43.42 H new ATOM 0 HG23 THR A 90 7.047 9.723 5.635 1.00 43.42 H new ATOM 1196 N ARG A 91 9.154 10.848 4.065 1.00 21.43 N ATOM 1197 CA ARG A 91 10.319 10.008 3.704 1.00 21.21 C ATOM 1198 C ARG A 91 10.780 10.248 2.257 1.00 1.34 C ATOM 1199 O ARG A 91 9.986 10.558 1.396 1.00 45.31 O ATOM 1200 CB ARG A 91 9.965 8.523 3.859 1.00 21.34 C ATOM 1201 CG ARG A 91 9.589 8.107 5.263 1.00 65.04 C ATOM 1202 CD ARG A 91 10.789 8.190 6.181 1.00 61.20 C ATOM 1203 NE ARG A 91 10.452 7.922 7.575 1.00 50.23 N ATOM 1204 CZ ARG A 91 11.333 7.558 8.498 1.00 41.12 C ATOM 1205 NH1 ARG A 91 12.578 7.240 8.145 1.00 13.11 N ATOM 1206 NH2 ARG A 91 10.958 7.461 9.769 1.00 52.04 N ATOM 0 H ARG A 91 8.356 10.740 3.439 1.00 21.43 H new ATOM 0 HA ARG A 91 11.130 10.284 4.378 1.00 21.21 H new ATOM 0 HB2 ARG A 91 9.136 8.289 3.191 1.00 21.34 H new ATOM 0 HB3 ARG A 91 10.816 7.925 3.533 1.00 21.34 H new ATOM 0 HG2 ARG A 91 8.792 8.750 5.638 1.00 65.04 H new ATOM 0 HG3 ARG A 91 9.200 7.089 5.255 1.00 65.04 H new ATOM 0 HD2 ARG A 91 11.544 7.477 5.851 1.00 61.20 H new ATOM 0 HD3 ARG A 91 11.233 9.183 6.103 1.00 61.20 H new ATOM 0 HE ARG A 91 9.477 8.021 7.858 1.00 50.23 H new ATOM 0 HH11 ARG A 91 12.855 7.276 7.164 1.00 13.11 H new ATOM 0 HH12 ARG A 91 13.254 6.960 8.856 1.00 13.11 H new ATOM 0 HH21 ARG A 91 9.995 7.666 10.034 1.00 52.04 H new ATOM 0 HH22 ARG A 91 11.634 7.181 10.480 1.00 52.04 H new ATOM 1220 N GLN A 92 12.069 10.099 2.017 1.00 44.42 N ATOM 1221 CA GLN A 92 12.631 10.280 0.682 1.00 55.54 C ATOM 1222 C GLN A 92 12.864 8.951 -0.038 1.00 43.51 C ATOM 1223 O GLN A 92 13.171 8.924 -1.231 1.00 32.21 O ATOM 1224 CB GLN A 92 13.950 11.041 0.751 1.00 43.42 C ATOM 1225 CG GLN A 92 13.813 12.488 1.192 1.00 61.33 C ATOM 1226 CD GLN A 92 15.148 13.217 1.252 1.00 13.41 C ATOM 1227 OE1 GLN A 92 16.185 12.626 1.557 1.00 44.53 O ATOM 1228 NE2 GLN A 92 15.129 14.500 0.951 1.00 73.15 N ATOM 0 H GLN A 92 12.754 9.852 2.731 1.00 44.42 H new ATOM 0 HA GLN A 92 11.897 10.853 0.115 1.00 55.54 H new ATOM 0 HB2 GLN A 92 14.618 10.525 1.440 1.00 43.42 H new ATOM 0 HB3 GLN A 92 14.423 11.016 -0.231 1.00 43.42 H new ATOM 0 HG2 GLN A 92 13.149 13.011 0.504 1.00 61.33 H new ATOM 0 HG3 GLN A 92 13.342 12.520 2.175 1.00 61.33 H new ATOM 0 HE21 GLN A 92 14.249 14.953 0.703 1.00 73.15 H new ATOM 0 HE22 GLN A 92 15.994 15.040 0.966 1.00 73.15 H new ATOM 1237 N VAL A 93 12.699 7.867 0.670 1.00 53.44 N ATOM 1238 CA VAL A 93 13.050 6.555 0.155 1.00 23.32 C ATOM 1239 C VAL A 93 11.862 5.631 0.161 1.00 3.11 C ATOM 1240 O VAL A 93 10.955 5.810 0.942 1.00 62.13 O ATOM 1241 CB VAL A 93 14.188 5.914 0.981 1.00 10.22 C ATOM 1242 CG1 VAL A 93 15.506 6.618 0.724 1.00 35.13 C ATOM 1243 CG2 VAL A 93 13.857 5.996 2.460 1.00 11.44 C ATOM 0 H VAL A 93 12.320 7.859 1.617 1.00 53.44 H new ATOM 0 HA VAL A 93 13.388 6.699 -0.871 1.00 23.32 H new ATOM 0 HB VAL A 93 14.283 4.871 0.679 1.00 10.22 H new ATOM 0 HG11 VAL A 93 16.291 6.148 1.317 1.00 35.13 H new ATOM 0 HG12 VAL A 93 15.757 6.545 -0.334 1.00 35.13 H new ATOM 0 HG13 VAL A 93 15.419 7.668 1.004 1.00 35.13 H new ATOM 0 HG21 VAL A 93 14.662 5.543 3.039 1.00 11.44 H new ATOM 0 HG22 VAL A 93 13.745 7.041 2.750 1.00 11.44 H new ATOM 0 HG23 VAL A 93 12.926 5.463 2.655 1.00 11.44 H new ATOM 1253 N CYS A 94 11.886 4.640 -0.721 1.00 70.41 N ATOM 1254 CA CYS A 94 10.854 3.632 -0.816 1.00 31.45 C ATOM 1255 C CYS A 94 10.676 2.916 0.509 1.00 41.25 C ATOM 1256 O CYS A 94 11.659 2.639 1.214 1.00 50.20 O ATOM 1257 CB CYS A 94 11.252 2.591 -1.845 1.00 54.44 C ATOM 1258 SG CYS A 94 11.486 3.205 -3.540 1.00 71.52 S ATOM 0 H CYS A 94 12.638 4.518 -1.399 1.00 70.41 H new ATOM 0 HA CYS A 94 9.926 4.130 -1.098 1.00 31.45 H new ATOM 0 HB2 CYS A 94 12.179 2.120 -1.518 1.00 54.44 H new ATOM 0 HB3 CYS A 94 10.488 1.814 -1.862 1.00 54.44 H new ATOM 1263 N PRO A 95 9.436 2.588 0.855 1.00 34.00 N ATOM 1264 CA PRO A 95 9.140 1.831 2.066 1.00 50.51 C ATOM 1265 C PRO A 95 9.634 0.402 1.936 1.00 1.03 C ATOM 1266 O PRO A 95 9.901 -0.282 2.923 1.00 22.23 O ATOM 1267 CB PRO A 95 7.609 1.876 2.148 1.00 30.25 C ATOM 1268 CG PRO A 95 7.162 2.079 0.737 1.00 70.43 C ATOM 1269 CD PRO A 95 8.225 2.905 0.081 1.00 44.42 C ATOM 0 HA PRO A 95 9.624 2.236 2.955 1.00 50.51 H new ATOM 0 HB2 PRO A 95 7.207 0.951 2.562 1.00 30.25 H new ATOM 0 HB3 PRO A 95 7.270 2.688 2.792 1.00 30.25 H new ATOM 0 HG2 PRO A 95 7.039 1.124 0.226 1.00 70.43 H new ATOM 0 HG3 PRO A 95 6.198 2.586 0.702 1.00 70.43 H new ATOM 0 HD2 PRO A 95 8.342 2.646 -0.971 1.00 44.42 H new ATOM 0 HD3 PRO A 95 7.989 3.968 0.123 1.00 44.42 H new ATOM 1277 N LEU A 96 9.779 -0.034 0.683 1.00 12.12 N ATOM 1278 CA LEU A 96 10.167 -1.392 0.367 1.00 74.25 C ATOM 1279 C LEU A 96 11.638 -1.447 -0.024 1.00 70.10 C ATOM 1280 O LEU A 96 12.412 -2.222 0.530 1.00 55.44 O ATOM 1281 CB LEU A 96 9.322 -1.897 -0.811 1.00 3.23 C ATOM 1282 CG LEU A 96 7.798 -1.810 -0.686 1.00 55.23 C ATOM 1283 CD1 LEU A 96 7.148 -2.330 -1.957 1.00 33.53 C ATOM 1284 CD2 LEU A 96 7.281 -2.556 0.538 1.00 13.45 C ATOM 0 H LEU A 96 9.628 0.554 -0.137 1.00 12.12 H new ATOM 0 HA LEU A 96 10.006 -2.017 1.245 1.00 74.25 H new ATOM 0 HB2 LEU A 96 9.618 -1.338 -1.699 1.00 3.23 H new ATOM 0 HB3 LEU A 96 9.584 -2.940 -0.989 1.00 3.23 H new ATOM 0 HG LEU A 96 7.529 -0.762 -0.551 1.00 55.23 H new ATOM 0 HD11 LEU A 96 6.064 -2.266 -1.864 1.00 33.53 H new ATOM 0 HD12 LEU A 96 7.475 -1.729 -2.805 1.00 33.53 H new ATOM 0 HD13 LEU A 96 7.438 -3.369 -2.115 1.00 33.53 H new ATOM 0 HD21 LEU A 96 6.196 -2.467 0.587 1.00 13.45 H new ATOM 0 HD22 LEU A 96 7.556 -3.608 0.466 1.00 13.45 H new ATOM 0 HD23 LEU A 96 7.721 -2.127 1.438 1.00 13.45 H new ATOM 1296 N ASP A 97 12.006 -0.603 -0.997 1.00 62.04 N ATOM 1297 CA ASP A 97 13.380 -0.571 -1.554 1.00 74.45 C ATOM 1298 C ASP A 97 14.374 -0.031 -0.560 1.00 33.25 C ATOM 1299 O ASP A 97 15.524 -0.475 -0.513 1.00 42.30 O ATOM 1300 CB ASP A 97 13.459 0.306 -2.815 1.00 45.14 C ATOM 1301 CG ASP A 97 13.091 -0.365 -4.106 1.00 72.25 C ATOM 1302 OD1 ASP A 97 13.164 -1.602 -4.202 1.00 21.14 O ATOM 1303 OD2 ASP A 97 12.685 0.364 -5.047 1.00 70.22 O ATOM 0 H ASP A 97 11.372 0.074 -1.422 1.00 62.04 H new ATOM 0 HA ASP A 97 13.625 -1.604 -1.800 1.00 74.45 H new ATOM 0 HB2 ASP A 97 12.805 1.167 -2.676 1.00 45.14 H new ATOM 0 HB3 ASP A 97 14.476 0.689 -2.904 1.00 45.14 H new ATOM 1308 N ASN A 98 13.917 0.952 0.234 1.00 35.04 N ATOM 1309 CA ASN A 98 14.786 1.775 1.081 1.00 30.41 C ATOM 1310 C ASN A 98 15.783 2.524 0.186 1.00 11.25 C ATOM 1311 O ASN A 98 16.912 2.806 0.573 1.00 72.21 O ATOM 1312 CB ASN A 98 15.541 0.909 2.103 1.00 11.31 C ATOM 1313 CG ASN A 98 14.627 0.239 3.113 1.00 50.22 C ATOM 1314 OD1 ASN A 98 13.606 0.795 3.512 1.00 4.53 O ATOM 1315 ND2 ASN A 98 14.976 -0.966 3.518 1.00 24.22 N ATOM 0 H ASN A 98 12.929 1.196 0.304 1.00 35.04 H new ATOM 0 HA ASN A 98 14.174 2.486 1.635 1.00 30.41 H new ATOM 0 HB2 ASN A 98 16.108 0.144 1.572 1.00 11.31 H new ATOM 0 HB3 ASN A 98 16.263 1.530 2.633 1.00 11.31 H new ATOM 0 HD21 ASN A 98 14.391 -1.469 4.185 1.00 24.22 H new ATOM 0 HD22 ASN A 98 15.831 -1.395 3.164 1.00 24.22 H new ATOM 1322 N ARG A 99 15.315 2.863 -1.014 1.00 42.13 N ATOM 1323 CA ARG A 99 16.085 3.586 -2.027 1.00 44.02 C ATOM 1324 C ARG A 99 15.289 4.813 -2.348 1.00 52.14 C ATOM 1325 O ARG A 99 14.089 4.806 -2.136 1.00 11.41 O ATOM 1326 CB ARG A 99 16.187 2.744 -3.302 1.00 74.13 C ATOM 1327 CG ARG A 99 16.785 1.375 -3.097 1.00 21.34 C ATOM 1328 CD ARG A 99 18.269 1.312 -3.429 1.00 61.45 C ATOM 1329 NE ARG A 99 19.097 2.210 -2.624 1.00 34.35 N ATOM 1330 CZ ARG A 99 20.413 2.339 -2.790 1.00 2.50 C ATOM 1331 NH1 ARG A 99 21.039 1.606 -3.706 1.00 44.24 N ATOM 1332 NH2 ARG A 99 21.088 3.189 -2.045 1.00 34.52 N ATOM 0 H ARG A 99 14.367 2.638 -1.317 1.00 42.13 H new ATOM 0 HA ARG A 99 17.089 3.813 -1.668 1.00 44.02 H new ATOM 0 HB2 ARG A 99 15.191 2.632 -3.730 1.00 74.13 H new ATOM 0 HB3 ARG A 99 16.789 3.284 -4.033 1.00 74.13 H new ATOM 0 HG2 ARG A 99 16.638 1.073 -2.060 1.00 21.34 H new ATOM 0 HG3 ARG A 99 16.250 0.656 -3.717 1.00 21.34 H new ATOM 0 HD2 ARG A 99 18.619 0.289 -3.290 1.00 61.45 H new ATOM 0 HD3 ARG A 99 18.406 1.555 -4.483 1.00 61.45 H new ATOM 0 HE ARG A 99 18.644 2.766 -1.899 1.00 34.35 H new ATOM 0 HH11 ARG A 99 20.512 0.947 -4.279 1.00 44.24 H new ATOM 0 HH12 ARG A 99 22.046 1.703 -3.835 1.00 44.24 H new ATOM 0 HH21 ARG A 99 20.604 3.747 -1.342 1.00 34.52 H new ATOM 0 HH22 ARG A 99 22.095 3.289 -2.171 1.00 34.52 H new ATOM 1346 N GLU A 100 15.914 5.851 -2.850 1.00 51.15 N ATOM 1347 CA GLU A 100 15.175 7.075 -3.105 1.00 32.21 C ATOM 1348 C GLU A 100 14.104 6.861 -4.147 1.00 24.33 C ATOM 1349 O GLU A 100 14.363 6.320 -5.231 1.00 52.10 O ATOM 1350 CB GLU A 100 16.080 8.248 -3.456 1.00 23.43 C ATOM 1351 CG GLU A 100 16.948 8.683 -2.290 1.00 70.34 C ATOM 1352 CD GLU A 100 17.848 9.856 -2.607 1.00 0.12 C ATOM 1353 OE1 GLU A 100 18.450 9.889 -3.690 1.00 73.04 O ATOM 1354 OE2 GLU A 100 17.954 10.772 -1.763 1.00 53.42 O ATOM 0 H GLU A 100 16.906 5.880 -3.087 1.00 51.15 H new ATOM 0 HA GLU A 100 14.682 7.343 -2.171 1.00 32.21 H new ATOM 0 HB2 GLU A 100 16.718 7.972 -4.296 1.00 23.43 H new ATOM 0 HB3 GLU A 100 15.469 9.089 -3.783 1.00 23.43 H new ATOM 0 HG2 GLU A 100 16.306 8.946 -1.449 1.00 70.34 H new ATOM 0 HG3 GLU A 100 17.562 7.841 -1.972 1.00 70.34 H new ATOM 1361 N TRP A 101 12.905 7.261 -3.799 1.00 21.35 N ATOM 1362 CA TRP A 101 11.760 7.030 -4.626 1.00 64.20 C ATOM 1363 C TRP A 101 11.736 7.991 -5.808 1.00 25.11 C ATOM 1364 O TRP A 101 12.074 9.169 -5.679 1.00 43.01 O ATOM 1365 CB TRP A 101 10.474 7.151 -3.788 1.00 42.20 C ATOM 1366 CG TRP A 101 9.250 7.345 -4.622 1.00 31.05 C ATOM 1367 CD1 TRP A 101 8.750 8.528 -5.052 1.00 70.51 C ATOM 1368 CD2 TRP A 101 8.388 6.340 -5.137 1.00 41.32 C ATOM 1369 NE1 TRP A 101 7.641 8.327 -5.813 1.00 62.51 N ATOM 1370 CE2 TRP A 101 7.389 6.998 -5.881 1.00 72.10 C ATOM 1371 CE3 TRP A 101 8.362 4.957 -5.041 1.00 62.32 C ATOM 1372 CZ2 TRP A 101 6.372 6.320 -6.530 1.00 44.12 C ATOM 1373 CZ3 TRP A 101 7.351 4.278 -5.689 1.00 51.24 C ATOM 1374 CH2 TRP A 101 6.369 4.958 -6.423 1.00 2.41 C ATOM 0 H TRP A 101 12.702 7.757 -2.931 1.00 21.35 H new ATOM 0 HA TRP A 101 11.819 6.019 -5.028 1.00 64.20 H new ATOM 0 HB2 TRP A 101 10.356 6.252 -3.182 1.00 42.20 H new ATOM 0 HB3 TRP A 101 10.574 7.989 -3.098 1.00 42.20 H new ATOM 0 HD1 TRP A 101 9.173 9.495 -4.823 1.00 70.51 H new ATOM 0 HE1 TRP A 101 7.089 9.059 -6.260 1.00 62.51 H new ATOM 0 HE3 TRP A 101 9.113 4.426 -4.474 1.00 62.32 H new ATOM 0 HZ2 TRP A 101 5.615 6.844 -7.095 1.00 44.12 H new ATOM 0 HZ3 TRP A 101 7.315 3.200 -5.630 1.00 51.24 H new ATOM 0 HH2 TRP A 101 5.592 4.392 -6.915 1.00 2.41 H new ATOM 1385 N GLU A 102 11.340 7.481 -6.959 1.00 1.21 N ATOM 1386 CA GLU A 102 11.251 8.262 -8.174 1.00 54.12 C ATOM 1387 C GLU A 102 9.921 7.952 -8.878 1.00 24.24 C ATOM 1388 O GLU A 102 9.513 6.781 -8.945 1.00 1.34 O ATOM 1389 CB GLU A 102 12.424 7.883 -9.082 1.00 21.41 C ATOM 1390 CG GLU A 102 13.790 8.219 -8.497 1.00 2.43 C ATOM 1391 CD GLU A 102 14.932 7.769 -9.365 1.00 21.22 C ATOM 1392 OE1 GLU A 102 14.954 6.592 -9.779 1.00 14.55 O ATOM 1393 OE2 GLU A 102 15.841 8.583 -9.626 1.00 23.34 O ATOM 0 H GLU A 102 11.069 6.505 -7.076 1.00 1.21 H new ATOM 0 HA GLU A 102 11.292 9.327 -7.946 1.00 54.12 H new ATOM 0 HB2 GLU A 102 12.381 6.813 -9.288 1.00 21.41 H new ATOM 0 HB3 GLU A 102 12.312 8.396 -10.037 1.00 21.41 H new ATOM 0 HG2 GLU A 102 13.859 9.296 -8.347 1.00 2.43 H new ATOM 0 HG3 GLU A 102 13.882 7.754 -7.516 1.00 2.43 H new ATOM 1400 N PHE A 103 9.267 8.975 -9.406 1.00 51.42 N ATOM 1401 CA PHE A 103 7.977 8.799 -10.059 1.00 64.52 C ATOM 1402 C PHE A 103 8.151 8.454 -11.514 1.00 34.51 C ATOM 1403 O PHE A 103 8.734 9.221 -12.281 1.00 4.30 O ATOM 1404 CB PHE A 103 7.122 10.071 -9.971 1.00 2.43 C ATOM 1405 CG PHE A 103 6.553 10.373 -8.634 1.00 54.45 C ATOM 1406 CD1 PHE A 103 5.377 9.768 -8.222 1.00 63.52 C ATOM 1407 CD2 PHE A 103 7.172 11.276 -7.791 1.00 34.34 C ATOM 1408 CE1 PHE A 103 4.831 10.054 -6.985 1.00 54.42 C ATOM 1409 CE2 PHE A 103 6.632 11.573 -6.555 1.00 32.54 C ATOM 1410 CZ PHE A 103 5.459 10.958 -6.153 1.00 75.34 C ATOM 0 H PHE A 103 9.608 9.936 -9.396 1.00 51.42 H new ATOM 0 HA PHE A 103 7.474 7.984 -9.538 1.00 64.52 H new ATOM 0 HB2 PHE A 103 7.731 10.918 -10.286 1.00 2.43 H new ATOM 0 HB3 PHE A 103 6.302 9.985 -10.684 1.00 2.43 H new ATOM 0 HD1 PHE A 103 4.881 9.065 -8.875 1.00 63.52 H new ATOM 0 HD2 PHE A 103 8.089 11.755 -8.102 1.00 34.34 H new ATOM 0 HE1 PHE A 103 3.917 9.572 -6.671 1.00 54.42 H new ATOM 0 HE2 PHE A 103 7.123 12.282 -5.905 1.00 32.54 H new ATOM 0 HZ PHE A 103 5.035 11.186 -5.186 1.00 75.34 H new ATOM 1420 N GLN A 104 7.651 7.306 -11.886 1.00 33.25 N ATOM 1421 CA GLN A 104 7.660 6.873 -13.258 1.00 40.22 C ATOM 1422 C GLN A 104 6.504 7.531 -14.010 1.00 43.44 C ATOM 1423 O GLN A 104 6.694 8.164 -15.046 1.00 22.10 O ATOM 1424 CB GLN A 104 7.531 5.343 -13.308 1.00 72.32 C ATOM 1425 CG GLN A 104 7.539 4.736 -14.692 1.00 33.24 C ATOM 1426 CD GLN A 104 7.421 3.231 -14.637 1.00 32.32 C ATOM 1427 OE1 GLN A 104 6.320 2.686 -14.616 1.00 61.13 O ATOM 1428 NE2 GLN A 104 8.550 2.554 -14.614 1.00 13.42 N ATOM 0 H GLN A 104 7.223 6.641 -11.242 1.00 33.25 H new ATOM 0 HA GLN A 104 8.597 7.165 -13.732 1.00 40.22 H new ATOM 0 HB2 GLN A 104 8.349 4.908 -12.734 1.00 72.32 H new ATOM 0 HB3 GLN A 104 6.605 5.057 -12.810 1.00 72.32 H new ATOM 0 HG2 GLN A 104 6.714 5.146 -15.275 1.00 33.24 H new ATOM 0 HG3 GLN A 104 8.460 5.011 -15.206 1.00 33.24 H new ATOM 0 HE21 GLN A 104 9.442 3.049 -14.633 1.00 13.42 H new ATOM 0 HE22 GLN A 104 8.533 1.535 -14.577 1.00 13.42 H new ATOM 1437 N LYS A 105 5.318 7.381 -13.454 1.00 72.13 N ATOM 1438 CA LYS A 105 4.091 7.925 -14.016 1.00 1.34 C ATOM 1439 C LYS A 105 3.052 8.088 -12.914 1.00 65.24 C ATOM 1440 O LYS A 105 2.827 7.159 -12.136 1.00 24.45 O ATOM 1441 CB LYS A 105 3.580 6.972 -15.102 1.00 61.55 C ATOM 1442 CG LYS A 105 2.259 7.343 -15.759 1.00 51.13 C ATOM 1443 CD LYS A 105 1.922 6.336 -16.844 1.00 34.31 C ATOM 1444 CE LYS A 105 0.620 6.651 -17.559 1.00 21.23 C ATOM 1445 NZ LYS A 105 -0.556 6.516 -16.662 1.00 42.21 N ATOM 0 H LYS A 105 5.174 6.869 -12.584 1.00 72.13 H new ATOM 0 HA LYS A 105 4.281 8.903 -14.457 1.00 1.34 H new ATOM 0 HB2 LYS A 105 4.340 6.901 -15.880 1.00 61.55 H new ATOM 0 HB3 LYS A 105 3.477 5.979 -14.665 1.00 61.55 H new ATOM 0 HG2 LYS A 105 1.465 7.366 -15.012 1.00 51.13 H new ATOM 0 HG3 LYS A 105 2.324 8.344 -16.186 1.00 51.13 H new ATOM 0 HD2 LYS A 105 2.733 6.309 -17.572 1.00 34.31 H new ATOM 0 HD3 LYS A 105 1.857 5.342 -16.402 1.00 34.31 H new ATOM 0 HE2 LYS A 105 0.660 7.666 -17.954 1.00 21.23 H new ATOM 0 HE3 LYS A 105 0.504 5.982 -18.412 1.00 21.23 H new ATOM 0 HZ1 LYS A 105 -1.429 6.657 -17.210 1.00 42.21 H new ATOM 0 HZ2 LYS A 105 -0.563 5.566 -16.239 1.00 42.21 H new ATOM 0 HZ3 LYS A 105 -0.502 7.230 -15.908 1.00 42.21 H new ATOM 1459 N TYR A 106 2.445 9.263 -12.823 1.00 0.33 N ATOM 1460 CA TYR A 106 1.393 9.509 -11.836 1.00 63.21 C ATOM 1461 C TYR A 106 0.181 10.214 -12.460 1.00 11.43 C ATOM 1462 O TYR A 106 -0.964 9.932 -12.105 1.00 50.31 O ATOM 1463 CB TYR A 106 1.933 10.268 -10.604 1.00 62.54 C ATOM 1464 CG TYR A 106 2.594 11.600 -10.896 1.00 42.24 C ATOM 1465 CD1 TYR A 106 3.937 11.658 -11.239 1.00 20.21 C ATOM 1466 CD2 TYR A 106 1.885 12.790 -10.819 1.00 14.04 C ATOM 1467 CE1 TYR A 106 4.561 12.859 -11.495 1.00 44.01 C ATOM 1468 CE2 TYR A 106 2.503 14.002 -11.077 1.00 0.31 C ATOM 1469 CZ TYR A 106 3.841 14.028 -11.415 1.00 42.44 C ATOM 1470 OH TYR A 106 4.463 15.230 -11.670 1.00 32.44 O ATOM 0 H TYR A 106 2.660 10.063 -13.418 1.00 0.33 H new ATOM 0 HA TYR A 106 1.047 8.537 -11.484 1.00 63.21 H new ATOM 0 HB2 TYR A 106 1.108 10.436 -9.912 1.00 62.54 H new ATOM 0 HB3 TYR A 106 2.653 9.629 -10.092 1.00 62.54 H new ATOM 0 HD1 TYR A 106 4.505 10.742 -11.307 1.00 20.21 H new ATOM 0 HD2 TYR A 106 0.838 12.771 -10.555 1.00 14.04 H new ATOM 0 HE1 TYR A 106 5.609 12.882 -11.757 1.00 44.01 H new ATOM 0 HE2 TYR A 106 1.941 14.922 -11.014 1.00 0.31 H new ATOM 0 HH TYR A 106 3.817 15.960 -11.572 1.00 32.44 H new ATOM 1480 N GLY A 107 0.435 11.122 -13.384 1.00 73.13 N ATOM 1481 CA GLY A 107 -0.642 11.802 -14.061 1.00 74.52 C ATOM 1482 C GLY A 107 -1.064 13.083 -13.385 1.00 50.34 C ATOM 1483 O GLY A 107 -0.546 14.163 -13.687 1.00 42.21 O ATOM 0 H GLY A 107 1.371 11.401 -13.678 1.00 73.13 H new ATOM 0 HA2 GLY A 107 -0.335 12.024 -15.083 1.00 74.52 H new ATOM 0 HA3 GLY A 107 -1.501 11.134 -14.124 1.00 74.52 H new ATOM 1487 N HIS A 108 -2.009 12.967 -12.491 1.00 51.33 N ATOM 1488 CA HIS A 108 -2.570 14.115 -11.798 1.00 4.15 C ATOM 1489 C HIS A 108 -2.083 14.196 -10.353 1.00 2.41 C ATOM 1490 O HIS A 108 -2.714 13.588 -9.464 1.00 11.22 O ATOM 1491 CB HIS A 108 -4.112 14.113 -11.891 1.00 2.24 C ATOM 1492 CG HIS A 108 -4.761 12.842 -11.427 1.00 24.33 C ATOM 1493 ND1 HIS A 108 -4.674 11.656 -12.128 1.00 22.32 N ATOM 1494 CD2 HIS A 108 -5.493 12.568 -10.324 1.00 64.33 C ATOM 1495 CE1 HIS A 108 -5.323 10.715 -11.474 1.00 3.42 C ATOM 1496 NE2 HIS A 108 -5.831 11.240 -10.381 1.00 45.14 N ATOM 1497 OXT HIS A 108 -1.069 14.881 -10.103 1.00 2.41 O ATOM 0 H HIS A 108 -2.419 12.074 -12.216 1.00 51.33 H new ATOM 0 HA HIS A 108 -2.212 15.015 -12.297 1.00 4.15 H new ATOM 0 HB2 HIS A 108 -4.500 14.942 -11.299 1.00 2.24 H new ATOM 0 HB3 HIS A 108 -4.401 14.297 -12.926 1.00 2.24 H new ATOM 0 HD2 HIS A 108 -5.761 13.265 -9.544 1.00 64.33 H new ATOM 0 HE1 HIS A 108 -5.421 9.685 -11.784 1.00 3.42 H new ATOM 0 HE2 HIS A 108 -6.387 10.740 -9.687 1.00 45.14 H new TER 1505 HIS A 108 HETATM 1506 ZN ZN A 109 -2.627 3.071 -0.794 1.00 34.14 ZN HETATM 1507 ZN ZN A 110 -6.863 7.759 -1.088 1.00 74.21 ZN HETATM 1508 ZN ZN A 111 11.444 1.768 -5.194 1.00 43.31 ZN