USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 861 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 84 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 123 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 57 GLN :FLIP amide:sc= 0.262 X(o=0.5,f=0.57) USER MOD Set 2.2: A 61 ASN : amide:sc= 0.31 X(o=0.57,f=0.5) USER MOD Set 3.1: A 39 SER OG : rot 80:sc= 0.156 USER MOD Set 3.2: A 68 GLN :FLIP amide:sc= -0.244 F(o=-0.63,f=-0.088) USER MOD Set 4.1: A 25 ASN : amide:sc= 0.0466 X(o=-0.15,f=-0.24) USER MOD Set 4.2: A 31 SER OG : rot 150:sc= -0.193 USER MOD Set 5.1: A 4 LYS NZ :NH3+ 152:sc= 1.13 (180deg=0.654) USER MOD Set 5.2: A 150 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -0.0131 (180deg=-0.373) USER MOD Single : A 6 THR OG1 : rot -170:sc= -0.0552 USER MOD Single : A 10 TYR OH : rot -77:sc= 1.23 USER MOD Single : A 11 TYR OH : rot 77:sc= 0.644 USER MOD Single : A 17 THR OG1 : rot 107:sc= 0.741 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -156:sc= -0.197 (180deg=-1.14) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -28:sc= 0.124 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.19) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.081 X(o=-0.081,f=-0.56) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 77 TYR OH : rot 100:sc= 1.23 USER MOD Single : A 88 SER OG : rot -160:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 71:sc= 0.0139 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -157:sc= 0.0332 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.477 F(o=-2.1!,f=-0.48) USER MOD Single : A 102 MET CE :methyl 150:sc= -0.0139 (180deg=-0.977) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 166:sc= 0.00284 USER MOD Single : A 111 SER OG : rot -146:sc= 0.753 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.173 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 119 ASN :FLIP amide:sc= -0.401 F(o=-2.4!,f=-0.4) USER MOD Single : A 120 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.099) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HE2:sc= -1.54! C(o=-1.5!,f=-2.8!) USER MOD Single : A 128 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 135 ASN : amide:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -142:sc= 0.871 (180deg=-0.938!) USER MOD Single : A 151 LYS NZ :NH3+ -154:sc= 1.19 (180deg=0.293) USER MOD ----------------------------------------------------------------- ATOM 23 N ALA A 3 -0.282 -20.399 -9.590 1.00 62.32 N ATOM 24 CA ALA A 3 0.474 -19.314 -10.200 1.00 53.14 C ATOM 25 C ALA A 3 0.468 -18.107 -9.274 1.00 40.44 C ATOM 26 O ALA A 3 -0.477 -17.315 -9.249 1.00 52.21 O ATOM 27 CB ALA A 3 -0.078 -18.932 -11.571 1.00 44.04 C ATOM 0 HA ALA A 3 1.497 -19.659 -10.350 1.00 53.14 H new ATOM 0 HB1 ALA A 3 0.516 -18.119 -11.989 1.00 44.04 H new ATOM 0 HB2 ALA A 3 -0.031 -19.795 -12.236 1.00 44.04 H new ATOM 0 HB3 ALA A 3 -1.114 -18.609 -11.469 1.00 44.04 H new ATOM 33 N LYS A 4 1.550 -17.957 -8.523 1.00 14.32 N ATOM 34 CA LYS A 4 1.671 -16.900 -7.530 1.00 4.24 C ATOM 35 C LYS A 4 2.473 -15.713 -8.050 1.00 63.24 C ATOM 36 O LYS A 4 3.637 -15.535 -7.700 1.00 31.44 O ATOM 37 CB LYS A 4 2.127 -17.410 -6.179 1.00 74.43 C ATOM 38 CG LYS A 4 3.445 -18.188 -6.175 1.00 3.05 C ATOM 39 CD LYS A 4 4.220 -17.863 -4.903 1.00 22.33 C ATOM 40 CE LYS A 4 5.204 -16.696 -5.082 1.00 41.42 C ATOM 41 NZ LYS A 4 4.577 -15.358 -5.034 1.00 74.54 N ATOM 0 H LYS A 4 2.367 -18.564 -8.585 1.00 14.32 H new ATOM 0 HA LYS A 4 0.666 -16.516 -7.353 1.00 4.24 H new ATOM 0 HB2 LYS A 4 2.226 -16.560 -5.504 1.00 74.43 H new ATOM 0 HB3 LYS A 4 1.346 -18.052 -5.771 1.00 74.43 H new ATOM 0 HG2 LYS A 4 3.248 -19.259 -6.231 1.00 3.05 H new ATOM 0 HG3 LYS A 4 4.037 -17.927 -7.052 1.00 3.05 H new ATOM 0 HD2 LYS A 4 3.516 -17.619 -4.107 1.00 22.33 H new ATOM 0 HD3 LYS A 4 4.769 -18.748 -4.582 1.00 22.33 H new ATOM 0 HE2 LYS A 4 5.965 -16.756 -4.304 1.00 41.42 H new ATOM 0 HE3 LYS A 4 5.715 -16.811 -6.038 1.00 41.42 H new ATOM 0 HZ1 LYS A 4 5.270 -14.662 -4.691 1.00 74.54 H new ATOM 0 HZ2 LYS A 4 4.259 -15.089 -5.987 1.00 74.54 H new ATOM 0 HZ3 LYS A 4 3.760 -15.380 -4.390 1.00 74.54 H new ATOM 51 N LYS A 5 1.841 -14.894 -8.885 1.00 31.21 N ATOM 52 CA LYS A 5 2.431 -13.626 -9.313 1.00 51.31 C ATOM 53 C LYS A 5 2.625 -12.720 -8.115 1.00 31.33 C ATOM 54 O LYS A 5 1.992 -12.909 -7.075 1.00 21.51 O ATOM 55 CB LYS A 5 1.532 -12.845 -10.280 1.00 4.13 C ATOM 56 CG LYS A 5 0.711 -13.649 -11.262 1.00 62.53 C ATOM 57 CD LYS A 5 1.522 -14.211 -12.417 1.00 31.43 C ATOM 58 CE LYS A 5 0.607 -14.887 -13.443 1.00 4.11 C ATOM 59 NZ LYS A 5 -0.339 -13.927 -14.047 1.00 3.32 N ATOM 0 H LYS A 5 0.920 -15.084 -9.280 1.00 31.21 H new ATOM 0 HA LYS A 5 3.367 -13.887 -9.806 1.00 51.31 H new ATOM 0 HB2 LYS A 5 0.849 -12.235 -9.688 1.00 4.13 H new ATOM 0 HB3 LYS A 5 2.161 -12.160 -10.847 1.00 4.13 H new ATOM 0 HG2 LYS A 5 0.230 -14.472 -10.733 1.00 62.53 H new ATOM 0 HG3 LYS A 5 -0.084 -13.018 -11.660 1.00 62.53 H new ATOM 0 HD2 LYS A 5 2.085 -13.410 -12.896 1.00 31.43 H new ATOM 0 HD3 LYS A 5 2.249 -14.931 -12.041 1.00 31.43 H new ATOM 0 HE2 LYS A 5 1.213 -15.343 -14.226 1.00 4.11 H new ATOM 0 HE3 LYS A 5 0.051 -15.691 -12.961 1.00 4.11 H new ATOM 0 HZ1 LYS A 5 -0.722 -14.325 -14.928 1.00 3.32 H new ATOM 0 HZ2 LYS A 5 -1.118 -13.742 -13.383 1.00 3.32 H new ATOM 0 HZ3 LYS A 5 0.156 -13.037 -14.256 1.00 3.32 H new ATOM 69 N THR A 6 3.315 -11.627 -8.390 1.00 53.03 N ATOM 70 CA THR A 6 3.417 -10.487 -7.493 1.00 44.24 C ATOM 71 C THR A 6 3.225 -9.198 -8.296 1.00 43.01 C ATOM 72 O THR A 6 3.622 -9.114 -9.459 1.00 35.32 O ATOM 73 CB THR A 6 4.759 -10.544 -6.737 1.00 75.34 C ATOM 74 OG1 THR A 6 4.864 -11.729 -5.970 1.00 75.33 O ATOM 75 CG2 THR A 6 4.960 -9.347 -5.798 1.00 53.24 C ATOM 0 H THR A 6 3.831 -11.504 -9.261 1.00 53.03 H new ATOM 0 HA THR A 6 2.633 -10.512 -6.737 1.00 44.24 H new ATOM 0 HB THR A 6 5.531 -10.521 -7.506 1.00 75.34 H new ATOM 0 HG1 THR A 6 5.645 -11.670 -5.381 1.00 75.33 H new ATOM 0 HG21 THR A 6 5.921 -9.439 -5.292 1.00 53.24 H new ATOM 0 HG22 THR A 6 4.942 -8.423 -6.377 1.00 53.24 H new ATOM 0 HG23 THR A 6 4.160 -9.327 -5.058 1.00 53.24 H new ATOM 83 N LEU A 7 2.633 -8.176 -7.682 1.00 23.41 N ATOM 84 CA LEU A 7 2.479 -6.839 -8.239 1.00 35.13 C ATOM 85 C LEU A 7 3.082 -5.866 -7.225 1.00 71.22 C ATOM 86 O LEU A 7 2.881 -6.016 -6.020 1.00 73.35 O ATOM 87 CB LEU A 7 0.984 -6.581 -8.485 1.00 12.41 C ATOM 88 CG LEU A 7 0.676 -5.268 -9.227 1.00 52.40 C ATOM 89 CD1 LEU A 7 0.969 -5.348 -10.734 1.00 51.20 C ATOM 90 CD2 LEU A 7 -0.799 -4.917 -9.051 1.00 43.43 C ATOM 0 H LEU A 7 2.233 -8.262 -6.748 1.00 23.41 H new ATOM 0 HA LEU A 7 2.989 -6.716 -9.194 1.00 35.13 H new ATOM 0 HB2 LEU A 7 0.574 -7.412 -9.059 1.00 12.41 H new ATOM 0 HB3 LEU A 7 0.467 -6.571 -7.525 1.00 12.41 H new ATOM 0 HG LEU A 7 1.325 -4.507 -8.795 1.00 52.40 H new ATOM 0 HD11 LEU A 7 0.732 -4.392 -11.202 1.00 51.20 H new ATOM 0 HD12 LEU A 7 2.024 -5.576 -10.888 1.00 51.20 H new ATOM 0 HD13 LEU A 7 0.359 -6.132 -11.182 1.00 51.20 H new ATOM 0 HD21 LEU A 7 -1.017 -3.987 -9.576 1.00 43.43 H new ATOM 0 HD22 LEU A 7 -1.415 -5.718 -9.460 1.00 43.43 H new ATOM 0 HD23 LEU A 7 -1.020 -4.795 -7.991 1.00 43.43 H new ATOM 101 N ILE A 8 3.855 -4.893 -7.689 1.00 52.42 N ATOM 102 CA ILE A 8 4.514 -3.871 -6.885 1.00 42.35 C ATOM 103 C ILE A 8 3.929 -2.545 -7.373 1.00 13.24 C ATOM 104 O ILE A 8 4.306 -2.051 -8.439 1.00 40.41 O ATOM 105 CB ILE A 8 6.050 -3.985 -7.048 1.00 75.44 C ATOM 106 CG1 ILE A 8 6.586 -5.356 -6.564 1.00 33.43 C ATOM 107 CG2 ILE A 8 6.766 -2.852 -6.293 1.00 33.53 C ATOM 108 CD1 ILE A 8 7.891 -5.741 -7.265 1.00 75.31 C ATOM 0 H ILE A 8 4.049 -4.790 -8.685 1.00 52.42 H new ATOM 0 HA ILE A 8 4.341 -3.972 -5.814 1.00 42.35 H new ATOM 0 HB ILE A 8 6.262 -3.897 -8.114 1.00 75.44 H new ATOM 0 HG12 ILE A 8 6.749 -5.322 -5.487 1.00 33.43 H new ATOM 0 HG13 ILE A 8 5.835 -6.124 -6.748 1.00 33.43 H new ATOM 0 HG21 ILE A 8 7.844 -2.953 -6.422 1.00 33.53 H new ATOM 0 HG22 ILE A 8 6.442 -1.889 -6.689 1.00 33.53 H new ATOM 0 HG23 ILE A 8 6.521 -2.910 -5.233 1.00 33.53 H new ATOM 0 HD11 ILE A 8 8.231 -6.709 -6.895 1.00 75.31 H new ATOM 0 HD12 ILE A 8 7.722 -5.802 -8.340 1.00 75.31 H new ATOM 0 HD13 ILE A 8 8.651 -4.987 -7.059 1.00 75.31 H new ATOM 119 N LEU A 9 2.930 -2.017 -6.669 1.00 15.20 N ATOM 120 CA LEU A 9 2.268 -0.755 -6.982 1.00 11.22 C ATOM 121 C LEU A 9 2.821 0.326 -6.078 1.00 11.41 C ATOM 122 O LEU A 9 2.468 0.361 -4.892 1.00 64.51 O ATOM 123 CB LEU A 9 0.759 -0.867 -6.738 1.00 60.35 C ATOM 124 CG LEU A 9 -0.013 -1.327 -7.968 1.00 14.20 C ATOM 125 CD1 LEU A 9 -1.441 -1.623 -7.535 1.00 62.55 C ATOM 126 CD2 LEU A 9 -0.067 -0.233 -9.035 1.00 71.23 C ATOM 0 H LEU A 9 2.548 -2.471 -5.839 1.00 15.20 H new ATOM 0 HA LEU A 9 2.447 -0.513 -8.030 1.00 11.22 H new ATOM 0 HB2 LEU A 9 0.580 -1.567 -5.922 1.00 60.35 H new ATOM 0 HB3 LEU A 9 0.376 0.102 -6.417 1.00 60.35 H new ATOM 0 HG LEU A 9 0.484 -2.202 -8.387 1.00 14.20 H new ATOM 0 HD11 LEU A 9 -2.021 -1.956 -8.396 1.00 62.55 H new ATOM 0 HD12 LEU A 9 -1.436 -2.406 -6.776 1.00 62.55 H new ATOM 0 HD13 LEU A 9 -1.891 -0.720 -7.122 1.00 62.55 H new ATOM 0 HD21 LEU A 9 -0.625 -0.594 -9.899 1.00 71.23 H new ATOM 0 HD22 LEU A 9 -0.561 0.649 -8.627 1.00 71.23 H new ATOM 0 HD23 LEU A 9 0.946 0.027 -9.341 1.00 71.23 H new ATOM 137 N TYR A 10 3.712 1.179 -6.572 1.00 3.41 N ATOM 138 CA TYR A 10 4.208 2.294 -5.777 1.00 35.32 C ATOM 139 C TYR A 10 3.597 3.588 -6.294 1.00 21.52 C ATOM 140 O TYR A 10 3.281 3.702 -7.476 1.00 62.54 O ATOM 141 CB TYR A 10 5.738 2.306 -5.732 1.00 35.11 C ATOM 142 CG TYR A 10 6.454 2.685 -7.014 1.00 32.24 C ATOM 143 CD1 TYR A 10 6.748 4.033 -7.280 1.00 42.04 C ATOM 144 CD2 TYR A 10 6.887 1.690 -7.908 1.00 32.51 C ATOM 145 CE1 TYR A 10 7.532 4.392 -8.384 1.00 61.22 C ATOM 146 CE2 TYR A 10 7.660 2.037 -9.029 1.00 13.02 C ATOM 147 CZ TYR A 10 8.001 3.393 -9.257 1.00 42.25 C ATOM 148 OH TYR A 10 8.792 3.753 -10.301 1.00 71.13 O ATOM 0 H TYR A 10 4.103 1.120 -7.512 1.00 3.41 H new ATOM 0 HA TYR A 10 3.896 2.182 -4.739 1.00 35.32 H new ATOM 0 HB2 TYR A 10 6.050 2.999 -4.950 1.00 35.11 H new ATOM 0 HB3 TYR A 10 6.077 1.314 -5.433 1.00 35.11 H new ATOM 0 HD1 TYR A 10 6.365 4.802 -6.625 1.00 42.04 H new ATOM 0 HD2 TYR A 10 6.625 0.657 -7.733 1.00 32.51 H new ATOM 0 HE1 TYR A 10 7.775 5.429 -8.564 1.00 61.22 H new ATOM 0 HE2 TYR A 10 7.993 1.272 -9.715 1.00 13.02 H new ATOM 0 HH TYR A 10 8.241 4.150 -11.007 1.00 71.13 H new ATOM 157 N TYR A 11 3.408 4.550 -5.394 1.00 55.12 N ATOM 158 CA TYR A 11 2.999 5.905 -5.718 1.00 41.32 C ATOM 159 C TYR A 11 4.251 6.773 -5.860 1.00 71.51 C ATOM 160 O TYR A 11 5.285 6.481 -5.239 1.00 4.42 O ATOM 161 CB TYR A 11 2.125 6.451 -4.579 1.00 31.52 C ATOM 162 CG TYR A 11 0.657 6.102 -4.505 1.00 22.23 C ATOM 163 CD1 TYR A 11 0.252 4.799 -4.158 1.00 60.15 C ATOM 164 CD2 TYR A 11 -0.295 7.140 -4.577 1.00 61.44 C ATOM 165 CE1 TYR A 11 -1.098 4.531 -3.877 1.00 53.25 C ATOM 166 CE2 TYR A 11 -1.648 6.877 -4.305 1.00 44.45 C ATOM 167 CZ TYR A 11 -2.053 5.571 -3.949 1.00 12.43 C ATOM 168 OH TYR A 11 -3.348 5.321 -3.634 1.00 51.21 O ATOM 0 H TYR A 11 3.540 4.400 -4.394 1.00 55.12 H new ATOM 0 HA TYR A 11 2.432 5.916 -6.649 1.00 41.32 H new ATOM 0 HB2 TYR A 11 2.580 6.130 -3.642 1.00 31.52 H new ATOM 0 HB3 TYR A 11 2.196 7.538 -4.612 1.00 31.52 H new ATOM 0 HD1 TYR A 11 0.981 4.004 -4.108 1.00 60.15 H new ATOM 0 HD2 TYR A 11 0.017 8.140 -4.842 1.00 61.44 H new ATOM 0 HE1 TYR A 11 -1.406 3.532 -3.606 1.00 53.25 H new ATOM 0 HE2 TYR A 11 -2.377 7.671 -4.368 1.00 44.45 H new ATOM 0 HH TYR A 11 -3.446 5.281 -2.660 1.00 51.21 H new ATOM 227 N GLU A 16 13.032 7.561 -5.259 1.00 35.44 N ATOM 228 CA GLU A 16 12.727 7.153 -3.896 1.00 71.52 C ATOM 229 C GLU A 16 12.189 5.720 -3.893 1.00 31.11 C ATOM 230 O GLU A 16 12.919 4.773 -3.604 1.00 60.23 O ATOM 231 CB GLU A 16 11.726 8.167 -3.306 1.00 4.23 C ATOM 232 CG GLU A 16 12.280 9.598 -3.193 1.00 20.31 C ATOM 233 CD GLU A 16 13.035 9.792 -1.884 1.00 42.01 C ATOM 234 OE1 GLU A 16 14.202 9.339 -1.774 1.00 32.14 O ATOM 235 OE2 GLU A 16 12.425 10.328 -0.933 1.00 74.34 O ATOM 0 HA GLU A 16 13.621 7.151 -3.272 1.00 71.52 H new ATOM 0 HB2 GLU A 16 10.831 8.183 -3.928 1.00 4.23 H new ATOM 0 HB3 GLU A 16 11.421 7.827 -2.316 1.00 4.23 H new ATOM 0 HG2 GLU A 16 12.944 9.802 -4.033 1.00 20.31 H new ATOM 0 HG3 GLU A 16 11.461 10.314 -3.253 1.00 20.31 H new ATOM 240 N THR A 17 10.918 5.552 -4.251 1.00 31.10 N ATOM 241 CA THR A 17 10.252 4.262 -4.288 1.00 32.32 C ATOM 242 C THR A 17 10.754 3.403 -5.459 1.00 3.24 C ATOM 243 O THR A 17 10.735 2.174 -5.362 1.00 23.50 O ATOM 244 CB THR A 17 8.725 4.490 -4.298 1.00 13.01 C ATOM 245 OG1 THR A 17 8.348 5.671 -5.002 1.00 21.43 O ATOM 246 CG2 THR A 17 8.202 4.688 -2.871 1.00 54.41 C ATOM 0 H THR A 17 10.315 6.327 -4.528 1.00 31.10 H new ATOM 0 HA THR A 17 10.497 3.688 -3.394 1.00 32.32 H new ATOM 0 HB THR A 17 8.307 3.607 -4.782 1.00 13.01 H new ATOM 0 HG1 THR A 17 7.945 5.425 -5.861 1.00 21.43 H new ATOM 0 HG21 THR A 17 7.124 4.847 -2.897 1.00 54.41 H new ATOM 0 HG22 THR A 17 8.423 3.802 -2.276 1.00 54.41 H new ATOM 0 HG23 THR A 17 8.686 5.556 -2.423 1.00 54.41 H new ATOM 254 N LYS A 18 11.278 4.024 -6.529 1.00 62.11 N ATOM 255 CA LYS A 18 11.795 3.349 -7.720 1.00 13.10 C ATOM 256 C LYS A 18 12.855 2.310 -7.388 1.00 20.21 C ATOM 257 O LYS A 18 12.705 1.159 -7.791 1.00 23.20 O ATOM 258 CB LYS A 18 12.315 4.391 -8.728 1.00 33.40 C ATOM 259 CG LYS A 18 13.248 3.820 -9.812 1.00 44.24 C ATOM 260 CD LYS A 18 13.493 4.796 -10.967 1.00 73.24 C ATOM 261 CE LYS A 18 12.296 4.753 -11.919 1.00 20.51 C ATOM 262 NZ LYS A 18 12.272 5.901 -12.840 1.00 55.24 N ATOM 0 H LYS A 18 11.353 5.040 -6.586 1.00 62.11 H new ATOM 0 HA LYS A 18 10.972 2.800 -8.176 1.00 13.10 H new ATOM 0 HB2 LYS A 18 11.462 4.865 -9.214 1.00 33.40 H new ATOM 0 HB3 LYS A 18 12.846 5.171 -8.183 1.00 33.40 H new ATOM 0 HG2 LYS A 18 14.203 3.556 -9.359 1.00 44.24 H new ATOM 0 HG3 LYS A 18 12.817 2.900 -10.207 1.00 44.24 H new ATOM 0 HD2 LYS A 18 13.632 5.806 -10.583 1.00 73.24 H new ATOM 0 HD3 LYS A 18 14.406 4.529 -11.498 1.00 73.24 H new ATOM 0 HE2 LYS A 18 12.326 3.828 -12.495 1.00 20.51 H new ATOM 0 HE3 LYS A 18 11.374 4.737 -11.339 1.00 20.51 H new ATOM 0 HZ1 LYS A 18 11.444 5.828 -13.465 1.00 55.24 H new ATOM 0 HZ2 LYS A 18 12.216 6.784 -12.293 1.00 55.24 H new ATOM 0 HZ3 LYS A 18 13.139 5.904 -13.414 1.00 55.24 H new ATOM 272 N LYS A 19 13.949 2.682 -6.711 1.00 4.21 N ATOM 273 CA LYS A 19 15.048 1.729 -6.497 1.00 44.31 C ATOM 274 C LYS A 19 14.557 0.472 -5.795 1.00 0.33 C ATOM 275 O LYS A 19 14.861 -0.638 -6.229 1.00 12.10 O ATOM 276 CB LYS A 19 16.212 2.379 -5.745 1.00 35.40 C ATOM 277 CG LYS A 19 17.029 3.246 -6.714 1.00 13.10 C ATOM 278 CD LYS A 19 18.415 3.585 -6.171 1.00 1.34 C ATOM 279 CE LYS A 19 18.324 4.426 -4.902 1.00 14.31 C ATOM 280 NZ LYS A 19 19.622 5.038 -4.579 1.00 34.52 N ATOM 0 H LYS A 19 14.097 3.609 -6.312 1.00 4.21 H new ATOM 0 HA LYS A 19 15.424 1.430 -7.476 1.00 44.31 H new ATOM 0 HB2 LYS A 19 15.833 2.990 -4.925 1.00 35.40 H new ATOM 0 HB3 LYS A 19 16.847 1.611 -5.303 1.00 35.40 H new ATOM 0 HG2 LYS A 19 17.133 2.723 -7.665 1.00 13.10 H new ATOM 0 HG3 LYS A 19 16.486 4.169 -6.916 1.00 13.10 H new ATOM 0 HD2 LYS A 19 18.961 2.665 -5.961 1.00 1.34 H new ATOM 0 HD3 LYS A 19 18.982 4.126 -6.928 1.00 1.34 H new ATOM 0 HE2 LYS A 19 17.573 5.205 -5.031 1.00 14.31 H new ATOM 0 HE3 LYS A 19 17.996 3.802 -4.071 1.00 14.31 H new ATOM 0 HZ1 LYS A 19 19.532 5.605 -3.712 1.00 34.52 H new ATOM 0 HZ2 LYS A 19 20.331 4.291 -4.433 1.00 34.52 H new ATOM 0 HZ3 LYS A 19 19.921 5.651 -5.364 1.00 34.52 H new ATOM 290 N MET A 20 13.747 0.674 -4.763 1.00 75.11 N ATOM 291 CA MET A 20 13.070 -0.370 -4.022 1.00 55.32 C ATOM 292 C MET A 20 12.209 -1.242 -4.953 1.00 33.32 C ATOM 293 O MET A 20 12.286 -2.466 -4.884 1.00 15.41 O ATOM 294 CB MET A 20 12.264 0.323 -2.903 1.00 1.33 C ATOM 295 CG MET A 20 12.607 -0.199 -1.505 1.00 35.33 C ATOM 296 SD MET A 20 14.150 0.467 -0.794 1.00 11.34 S ATOM 297 CE MET A 20 15.354 -0.771 -1.346 1.00 35.50 C ATOM 0 H MET A 20 13.539 1.608 -4.410 1.00 75.11 H new ATOM 0 HA MET A 20 13.778 -1.065 -3.571 1.00 55.32 H new ATOM 0 HB2 MET A 20 12.451 1.396 -2.940 1.00 1.33 H new ATOM 0 HB3 MET A 20 11.199 0.179 -3.087 1.00 1.33 H new ATOM 0 HG2 MET A 20 11.782 0.037 -0.832 1.00 35.33 H new ATOM 0 HG3 MET A 20 12.683 -1.286 -1.547 1.00 35.33 H new ATOM 0 HE1 MET A 20 16.216 -0.764 -0.678 1.00 35.50 H new ATOM 0 HE2 MET A 20 14.893 -1.758 -1.332 1.00 35.50 H new ATOM 0 HE3 MET A 20 15.679 -0.536 -2.360 1.00 35.50 H new ATOM 305 N ALA A 21 11.393 -0.632 -5.819 1.00 43.24 N ATOM 306 CA ALA A 21 10.458 -1.341 -6.682 1.00 63.43 C ATOM 307 C ALA A 21 11.181 -2.203 -7.720 1.00 13.24 C ATOM 308 O ALA A 21 10.850 -3.379 -7.876 1.00 0.41 O ATOM 309 CB ALA A 21 9.532 -0.334 -7.368 1.00 2.04 C ATOM 0 H ALA A 21 11.367 0.381 -5.938 1.00 43.24 H new ATOM 0 HA ALA A 21 9.867 -2.016 -6.063 1.00 63.43 H new ATOM 0 HB1 ALA A 21 8.832 -0.864 -8.014 1.00 2.04 H new ATOM 0 HB2 ALA A 21 8.978 0.224 -6.613 1.00 2.04 H new ATOM 0 HB3 ALA A 21 10.126 0.357 -7.966 1.00 2.04 H new ATOM 315 N GLU A 22 12.144 -1.628 -8.453 1.00 31.13 N ATOM 316 CA GLU A 22 12.836 -2.333 -9.535 1.00 60.13 C ATOM 317 C GLU A 22 13.592 -3.544 -8.994 1.00 43.15 C ATOM 318 O GLU A 22 13.679 -4.566 -9.682 1.00 61.42 O ATOM 319 CB GLU A 22 13.791 -1.413 -10.320 1.00 24.13 C ATOM 320 CG GLU A 22 13.044 -0.247 -10.984 1.00 14.01 C ATOM 321 CD GLU A 22 13.747 0.356 -12.206 1.00 15.23 C ATOM 322 OE1 GLU A 22 14.875 0.883 -12.056 1.00 44.43 O ATOM 323 OE2 GLU A 22 13.179 0.342 -13.322 1.00 44.24 O ATOM 0 H GLU A 22 12.462 -0.669 -8.313 1.00 31.13 H new ATOM 0 HA GLU A 22 12.069 -2.673 -10.231 1.00 60.13 H new ATOM 0 HB2 GLU A 22 14.552 -1.020 -9.646 1.00 24.13 H new ATOM 0 HB3 GLU A 22 14.310 -1.994 -11.083 1.00 24.13 H new ATOM 0 HG2 GLU A 22 12.055 -0.592 -11.285 1.00 14.01 H new ATOM 0 HG3 GLU A 22 12.895 0.539 -10.244 1.00 14.01 H new ATOM 328 N LYS A 23 14.105 -3.447 -7.758 1.00 4.41 N ATOM 329 CA LYS A 23 14.804 -4.549 -7.114 1.00 51.35 C ATOM 330 C LYS A 23 13.881 -5.727 -6.915 1.00 51.05 C ATOM 331 O LYS A 23 14.116 -6.772 -7.512 1.00 20.44 O ATOM 332 CB LYS A 23 15.433 -4.134 -5.775 1.00 31.50 C ATOM 333 CG LYS A 23 16.872 -4.619 -5.694 1.00 3.40 C ATOM 334 CD LYS A 23 17.808 -3.491 -6.087 1.00 15.04 C ATOM 335 CE LYS A 23 17.698 -3.134 -7.573 1.00 33.40 C ATOM 336 NZ LYS A 23 18.552 -1.992 -7.929 1.00 74.21 N ATOM 0 H LYS A 23 14.043 -2.604 -7.187 1.00 4.41 H new ATOM 0 HA LYS A 23 15.615 -4.843 -7.780 1.00 51.35 H new ATOM 0 HB2 LYS A 23 15.401 -3.049 -5.671 1.00 31.50 H new ATOM 0 HB3 LYS A 23 14.855 -4.550 -4.950 1.00 31.50 H new ATOM 0 HG2 LYS A 23 17.097 -4.957 -4.682 1.00 3.40 H new ATOM 0 HG3 LYS A 23 17.017 -5.473 -6.355 1.00 3.40 H new ATOM 0 HD2 LYS A 23 17.583 -2.610 -5.486 1.00 15.04 H new ATOM 0 HD3 LYS A 23 18.835 -3.778 -5.860 1.00 15.04 H new ATOM 0 HE2 LYS A 23 17.978 -3.998 -8.175 1.00 33.40 H new ATOM 0 HE3 LYS A 23 16.661 -2.900 -7.814 1.00 33.40 H new ATOM 0 HZ1 LYS A 23 18.448 -1.783 -8.943 1.00 74.21 H new ATOM 0 HZ2 LYS A 23 18.268 -1.160 -7.373 1.00 74.21 H new ATOM 0 HZ3 LYS A 23 19.545 -2.224 -7.723 1.00 74.21 H new ATOM 346 N ILE A 24 12.837 -5.561 -6.102 1.00 42.13 N ATOM 347 CA ILE A 24 11.986 -6.662 -5.663 1.00 4.43 C ATOM 348 C ILE A 24 11.401 -7.353 -6.901 1.00 43.35 C ATOM 349 O ILE A 24 11.288 -8.576 -6.936 1.00 2.40 O ATOM 350 CB ILE A 24 10.887 -6.115 -4.722 1.00 20.21 C ATOM 351 CG1 ILE A 24 11.505 -5.469 -3.464 1.00 2.30 C ATOM 352 CG2 ILE A 24 9.894 -7.215 -4.307 1.00 13.01 C ATOM 353 CD1 ILE A 24 10.468 -4.727 -2.614 1.00 42.04 C ATOM 0 H ILE A 24 12.559 -4.653 -5.729 1.00 42.13 H new ATOM 0 HA ILE A 24 12.558 -7.401 -5.102 1.00 4.43 H new ATOM 0 HB ILE A 24 10.342 -5.354 -5.280 1.00 20.21 H new ATOM 0 HG12 ILE A 24 11.980 -6.241 -2.859 1.00 2.30 H new ATOM 0 HG13 ILE A 24 12.288 -4.773 -3.765 1.00 2.30 H new ATOM 0 HG21 ILE A 24 9.137 -6.792 -3.646 1.00 13.01 H new ATOM 0 HG22 ILE A 24 9.412 -7.624 -5.195 1.00 13.01 H new ATOM 0 HG23 ILE A 24 10.428 -8.009 -3.785 1.00 13.01 H new ATOM 0 HD11 ILE A 24 10.956 -4.292 -1.742 1.00 42.04 H new ATOM 0 HD12 ILE A 24 10.011 -3.935 -3.207 1.00 42.04 H new ATOM 0 HD13 ILE A 24 9.698 -5.426 -2.287 1.00 42.04 H new ATOM 364 N ASN A 25 11.071 -6.584 -7.943 1.00 71.54 N ATOM 365 CA ASN A 25 10.577 -7.113 -9.206 1.00 55.20 C ATOM 366 C ASN A 25 11.517 -8.151 -9.836 1.00 75.23 C ATOM 367 O ASN A 25 11.049 -9.135 -10.410 1.00 4.02 O ATOM 368 CB ASN A 25 10.327 -5.950 -10.171 1.00 22.12 C ATOM 369 CG ASN A 25 10.048 -6.474 -11.564 1.00 2.43 C ATOM 370 OD1 ASN A 25 10.855 -6.277 -12.464 1.00 42.30 O ATOM 371 ND2 ASN A 25 8.939 -7.171 -11.744 1.00 15.24 N ATOM 0 H ASN A 25 11.142 -5.567 -7.927 1.00 71.54 H new ATOM 0 HA ASN A 25 9.645 -7.641 -9.002 1.00 55.20 H new ATOM 0 HB2 ASN A 25 9.483 -5.355 -9.823 1.00 22.12 H new ATOM 0 HB3 ASN A 25 11.195 -5.291 -10.190 1.00 22.12 H new ATOM 0 HD21 ASN A 25 8.729 -7.568 -12.660 1.00 15.24 H new ATOM 0 HD22 ASN A 25 8.293 -7.312 -10.967 1.00 15.24 H new ATOM 377 N SER A 26 12.826 -7.930 -9.732 1.00 43.40 N ATOM 378 CA SER A 26 13.864 -8.801 -10.260 1.00 22.15 C ATOM 379 C SER A 26 14.154 -9.997 -9.337 1.00 52.01 C ATOM 380 O SER A 26 14.848 -10.915 -9.776 1.00 22.24 O ATOM 381 CB SER A 26 15.120 -7.939 -10.464 1.00 62.32 C ATOM 382 OG SER A 26 16.164 -8.623 -11.132 1.00 3.11 O ATOM 0 H SER A 26 13.202 -7.108 -9.260 1.00 43.40 H new ATOM 0 HA SER A 26 13.532 -9.235 -11.203 1.00 22.15 H new ATOM 0 HB2 SER A 26 14.853 -7.050 -11.035 1.00 62.32 H new ATOM 0 HB3 SER A 26 15.480 -7.598 -9.493 1.00 62.32 H new ATOM 0 HG SER A 26 16.098 -9.583 -10.945 1.00 3.11 H new ATOM 387 N GLU A 27 13.661 -9.998 -8.090 1.00 53.32 N ATOM 388 CA GLU A 27 13.935 -11.032 -7.083 1.00 0.32 C ATOM 389 C GLU A 27 12.774 -12.031 -6.974 1.00 24.13 C ATOM 390 O GLU A 27 12.788 -12.923 -6.122 1.00 11.23 O ATOM 391 CB GLU A 27 14.272 -10.398 -5.710 1.00 11.23 C ATOM 392 CG GLU A 27 15.522 -9.514 -5.832 1.00 74.22 C ATOM 393 CD GLU A 27 16.273 -9.155 -4.547 1.00 11.00 C ATOM 394 OE1 GLU A 27 16.354 -9.967 -3.590 1.00 40.13 O ATOM 395 OE2 GLU A 27 16.962 -8.113 -4.560 1.00 12.32 O ATOM 0 H GLU A 27 13.045 -9.261 -7.746 1.00 53.32 H new ATOM 0 HA GLU A 27 14.811 -11.591 -7.411 1.00 0.32 H new ATOM 0 HB2 GLU A 27 13.429 -9.803 -5.358 1.00 11.23 H new ATOM 0 HB3 GLU A 27 14.441 -11.181 -4.970 1.00 11.23 H new ATOM 0 HG2 GLU A 27 16.222 -10.015 -6.500 1.00 74.22 H new ATOM 0 HG3 GLU A 27 15.228 -8.584 -6.319 1.00 74.22 H new ATOM 400 N ILE A 28 11.750 -11.900 -7.822 1.00 3.14 N ATOM 401 CA ILE A 28 10.543 -12.719 -7.812 1.00 24.32 C ATOM 402 C ILE A 28 10.319 -13.202 -9.249 1.00 15.05 C ATOM 403 O ILE A 28 10.814 -12.601 -10.208 1.00 75.34 O ATOM 404 CB ILE A 28 9.359 -11.910 -7.230 1.00 1.14 C ATOM 405 CG1 ILE A 28 9.688 -11.373 -5.815 1.00 74.32 C ATOM 406 CG2 ILE A 28 8.079 -12.768 -7.141 1.00 3.32 C ATOM 407 CD1 ILE A 28 8.632 -10.405 -5.283 1.00 3.34 C ATOM 0 H ILE A 28 11.742 -11.195 -8.559 1.00 3.14 H new ATOM 0 HA ILE A 28 10.638 -13.592 -7.167 1.00 24.32 H new ATOM 0 HB ILE A 28 9.190 -11.075 -7.909 1.00 1.14 H new ATOM 0 HG12 ILE A 28 9.783 -12.213 -5.127 1.00 74.32 H new ATOM 0 HG13 ILE A 28 10.655 -10.870 -5.839 1.00 74.32 H new ATOM 0 HG21 ILE A 28 7.267 -12.169 -6.728 1.00 3.32 H new ATOM 0 HG22 ILE A 28 7.804 -13.115 -8.137 1.00 3.32 H new ATOM 0 HG23 ILE A 28 8.261 -13.627 -6.495 1.00 3.32 H new ATOM 0 HD11 ILE A 28 8.919 -10.064 -4.288 1.00 3.34 H new ATOM 0 HD12 ILE A 28 8.554 -9.548 -5.952 1.00 3.34 H new ATOM 0 HD13 ILE A 28 7.668 -10.912 -5.229 1.00 3.34 H new ATOM 418 N LYS A 29 9.582 -14.297 -9.423 1.00 71.24 N ATOM 419 CA LYS A 29 9.169 -14.785 -10.731 1.00 23.44 C ATOM 420 C LYS A 29 7.819 -14.182 -11.068 1.00 71.41 C ATOM 421 O LYS A 29 6.964 -14.086 -10.191 1.00 15.31 O ATOM 422 CB LYS A 29 9.050 -16.304 -10.671 1.00 41.30 C ATOM 423 CG LYS A 29 9.041 -16.961 -12.050 1.00 0.22 C ATOM 424 CD LYS A 29 8.890 -18.469 -11.874 1.00 43.00 C ATOM 425 CE LYS A 29 9.458 -19.185 -13.096 1.00 34.53 C ATOM 426 NZ LYS A 29 9.409 -20.649 -12.930 1.00 51.42 N ATOM 0 H LYS A 29 9.253 -14.875 -8.649 1.00 71.24 H new ATOM 0 HA LYS A 29 9.897 -14.505 -11.492 1.00 23.44 H new ATOM 0 HB2 LYS A 29 9.881 -16.705 -10.090 1.00 41.30 H new ATOM 0 HB3 LYS A 29 8.134 -16.570 -10.143 1.00 41.30 H new ATOM 0 HG2 LYS A 29 8.221 -16.567 -12.651 1.00 0.22 H new ATOM 0 HG3 LYS A 29 9.964 -16.734 -12.583 1.00 0.22 H new ATOM 0 HD2 LYS A 29 9.411 -18.795 -10.974 1.00 43.00 H new ATOM 0 HD3 LYS A 29 7.839 -18.727 -11.744 1.00 43.00 H new ATOM 0 HE2 LYS A 29 8.893 -18.898 -13.983 1.00 34.53 H new ATOM 0 HE3 LYS A 29 10.489 -18.870 -13.259 1.00 34.53 H new ATOM 0 HZ1 LYS A 29 9.802 -21.108 -13.777 1.00 51.42 H new ATOM 0 HZ2 LYS A 29 9.968 -20.923 -12.097 1.00 51.42 H new ATOM 0 HZ3 LYS A 29 8.422 -20.951 -12.799 1.00 51.42 H new ATOM 436 N ASP A 30 7.598 -13.865 -12.340 1.00 63.11 N ATOM 437 CA ASP A 30 6.343 -13.304 -12.850 1.00 40.21 C ATOM 438 C ASP A 30 5.821 -12.157 -11.965 1.00 13.11 C ATOM 439 O ASP A 30 4.626 -12.052 -11.675 1.00 73.32 O ATOM 440 CB ASP A 30 5.329 -14.445 -13.066 1.00 71.53 C ATOM 441 CG ASP A 30 4.368 -14.198 -14.231 1.00 14.23 C ATOM 442 OD1 ASP A 30 4.032 -13.036 -14.560 1.00 4.23 O ATOM 443 OD2 ASP A 30 4.008 -15.196 -14.890 1.00 23.44 O ATOM 0 H ASP A 30 8.302 -13.993 -13.066 1.00 63.11 H new ATOM 0 HA ASP A 30 6.517 -12.836 -13.819 1.00 40.21 H new ATOM 0 HB2 ASP A 30 5.872 -15.373 -13.244 1.00 71.53 H new ATOM 0 HB3 ASP A 30 4.751 -14.584 -12.152 1.00 71.53 H new ATOM 447 N SER A 31 6.740 -11.328 -11.452 1.00 33.41 N ATOM 448 CA SER A 31 6.390 -10.095 -10.779 1.00 43.00 C ATOM 449 C SER A 31 6.262 -8.995 -11.829 1.00 35.54 C ATOM 450 O SER A 31 6.847 -9.057 -12.913 1.00 1.22 O ATOM 451 CB SER A 31 7.429 -9.777 -9.691 1.00 24.24 C ATOM 452 OG SER A 31 7.380 -8.447 -9.211 1.00 51.01 O ATOM 0 H SER A 31 7.744 -11.504 -11.498 1.00 33.41 H new ATOM 0 HA SER A 31 5.432 -10.182 -10.267 1.00 43.00 H new ATOM 0 HB2 SER A 31 7.281 -10.459 -8.854 1.00 24.24 H new ATOM 0 HB3 SER A 31 8.425 -9.971 -10.088 1.00 24.24 H new ATOM 0 HG SER A 31 7.671 -8.426 -8.276 1.00 51.01 H new ATOM 457 N GLU A 32 5.578 -7.924 -11.449 1.00 55.22 N ATOM 458 CA GLU A 32 5.519 -6.665 -12.175 1.00 4.35 C ATOM 459 C GLU A 32 5.749 -5.510 -11.209 1.00 53.04 C ATOM 460 O GLU A 32 5.672 -5.685 -9.989 1.00 33.44 O ATOM 461 CB GLU A 32 4.169 -6.559 -12.902 1.00 62.32 C ATOM 462 CG GLU A 32 4.264 -7.325 -14.224 1.00 34.32 C ATOM 463 CD GLU A 32 2.955 -7.470 -14.990 1.00 0.05 C ATOM 464 OE1 GLU A 32 1.926 -6.848 -14.631 1.00 71.14 O ATOM 465 OE2 GLU A 32 2.951 -8.248 -15.963 1.00 11.44 O ATOM 0 H GLU A 32 5.027 -7.910 -10.591 1.00 55.22 H new ATOM 0 HA GLU A 32 6.304 -6.621 -12.930 1.00 4.35 H new ATOM 0 HB2 GLU A 32 3.372 -6.971 -12.283 1.00 62.32 H new ATOM 0 HB3 GLU A 32 3.920 -5.514 -13.087 1.00 62.32 H new ATOM 0 HG2 GLU A 32 4.987 -6.821 -14.865 1.00 34.32 H new ATOM 0 HG3 GLU A 32 4.658 -8.320 -14.020 1.00 34.32 H new ATOM 470 N LEU A 33 6.010 -4.334 -11.786 1.00 24.41 N ATOM 471 CA LEU A 33 6.161 -3.047 -11.157 1.00 20.34 C ATOM 472 C LEU A 33 5.300 -2.050 -11.938 1.00 64.51 C ATOM 473 O LEU A 33 5.407 -1.968 -13.159 1.00 44.10 O ATOM 474 CB LEU A 33 7.637 -2.656 -11.100 1.00 75.52 C ATOM 475 CG LEU A 33 8.346 -2.184 -12.388 1.00 14.11 C ATOM 476 CD1 LEU A 33 9.750 -1.733 -11.991 1.00 31.21 C ATOM 477 CD2 LEU A 33 8.470 -3.263 -13.472 1.00 32.41 C ATOM 0 H LEU A 33 6.129 -4.268 -12.797 1.00 24.41 H new ATOM 0 HA LEU A 33 5.821 -3.062 -10.122 1.00 20.34 H new ATOM 0 HB2 LEU A 33 7.736 -1.860 -10.362 1.00 75.52 H new ATOM 0 HB3 LEU A 33 8.189 -3.515 -10.719 1.00 75.52 H new ATOM 0 HG LEU A 33 7.742 -1.387 -12.821 1.00 14.11 H new ATOM 0 HD11 LEU A 33 10.286 -1.391 -12.876 1.00 31.21 H new ATOM 0 HD12 LEU A 33 9.680 -0.918 -11.271 1.00 31.21 H new ATOM 0 HD13 LEU A 33 10.287 -2.568 -11.542 1.00 31.21 H new ATOM 0 HD21 LEU A 33 8.980 -2.848 -14.342 1.00 32.41 H new ATOM 0 HD22 LEU A 33 9.043 -4.105 -13.083 1.00 32.41 H new ATOM 0 HD23 LEU A 33 7.476 -3.603 -13.762 1.00 32.41 H new ATOM 488 N LYS A 34 4.371 -1.381 -11.256 1.00 22.43 N ATOM 489 CA LYS A 34 3.356 -0.472 -11.786 1.00 21.15 C ATOM 490 C LYS A 34 3.381 0.803 -10.939 1.00 41.42 C ATOM 491 O LYS A 34 3.800 0.778 -9.781 1.00 40.01 O ATOM 492 CB LYS A 34 1.965 -1.127 -11.698 1.00 24.33 C ATOM 493 CG LYS A 34 1.404 -1.776 -12.966 1.00 12.15 C ATOM 494 CD LYS A 34 2.217 -2.836 -13.715 1.00 32.13 C ATOM 495 CE LYS A 34 1.376 -3.221 -14.940 1.00 74.10 C ATOM 496 NZ LYS A 34 1.941 -4.322 -15.739 1.00 15.24 N ATOM 0 H LYS A 34 4.304 -1.467 -10.242 1.00 22.43 H new ATOM 0 HA LYS A 34 3.563 -0.242 -12.831 1.00 21.15 H new ATOM 0 HB2 LYS A 34 2.001 -1.889 -10.919 1.00 24.33 H new ATOM 0 HB3 LYS A 34 1.256 -0.367 -11.368 1.00 24.33 H new ATOM 0 HG2 LYS A 34 0.449 -2.229 -12.701 1.00 12.15 H new ATOM 0 HG3 LYS A 34 1.191 -0.974 -13.672 1.00 12.15 H new ATOM 0 HD2 LYS A 34 3.188 -2.443 -14.016 1.00 32.13 H new ATOM 0 HD3 LYS A 34 2.406 -3.703 -13.082 1.00 32.13 H new ATOM 0 HE2 LYS A 34 0.378 -3.504 -14.607 1.00 74.10 H new ATOM 0 HE3 LYS A 34 1.262 -2.345 -15.578 1.00 74.10 H new ATOM 0 HZ1 LYS A 34 1.325 -4.510 -16.555 1.00 15.24 H new ATOM 0 HZ2 LYS A 34 2.889 -4.057 -16.074 1.00 15.24 H new ATOM 0 HZ3 LYS A 34 2.009 -5.178 -15.152 1.00 15.24 H new ATOM 506 N GLU A 35 2.891 1.908 -11.497 1.00 54.03 N ATOM 507 CA GLU A 35 3.179 3.250 -11.003 1.00 0.44 C ATOM 508 C GLU A 35 1.880 4.030 -10.863 1.00 52.13 C ATOM 509 O GLU A 35 1.274 4.458 -11.850 1.00 40.03 O ATOM 510 CB GLU A 35 4.148 3.951 -11.955 1.00 43.22 C ATOM 511 CG GLU A 35 5.530 3.290 -11.884 1.00 52.43 C ATOM 512 CD GLU A 35 6.493 3.783 -12.960 1.00 33.13 C ATOM 513 OE1 GLU A 35 6.048 4.030 -14.107 1.00 53.31 O ATOM 514 OE2 GLU A 35 7.707 3.901 -12.670 1.00 42.03 O ATOM 0 H GLU A 35 2.278 1.895 -12.312 1.00 54.03 H new ATOM 0 HA GLU A 35 3.650 3.192 -10.022 1.00 0.44 H new ATOM 0 HB2 GLU A 35 3.766 3.904 -12.975 1.00 43.22 H new ATOM 0 HB3 GLU A 35 4.227 5.006 -11.693 1.00 43.22 H new ATOM 0 HG2 GLU A 35 5.965 3.479 -10.903 1.00 52.43 H new ATOM 0 HG3 GLU A 35 5.414 2.210 -11.978 1.00 52.43 H new ATOM 519 N VAL A 36 1.439 4.167 -9.623 1.00 20.10 N ATOM 520 CA VAL A 36 0.262 4.926 -9.215 1.00 13.23 C ATOM 521 C VAL A 36 0.687 6.417 -9.220 1.00 2.31 C ATOM 522 O VAL A 36 1.836 6.760 -8.927 1.00 41.24 O ATOM 523 CB VAL A 36 -0.068 4.516 -7.760 1.00 4.20 C ATOM 524 CG1 VAL A 36 -1.277 5.286 -7.244 1.00 54.42 C ATOM 525 CG2 VAL A 36 -0.305 3.020 -7.533 1.00 44.25 C ATOM 0 H VAL A 36 1.914 3.731 -8.833 1.00 20.10 H new ATOM 0 HA VAL A 36 -0.596 4.752 -9.865 1.00 13.23 H new ATOM 0 HB VAL A 36 0.834 4.769 -7.203 1.00 4.20 H new ATOM 0 HG11 VAL A 36 -1.492 4.982 -6.219 1.00 54.42 H new ATOM 0 HG12 VAL A 36 -1.065 6.355 -7.269 1.00 54.42 H new ATOM 0 HG13 VAL A 36 -2.140 5.072 -7.874 1.00 54.42 H new ATOM 0 HG21 VAL A 36 -0.528 2.842 -6.481 1.00 44.25 H new ATOM 0 HG22 VAL A 36 -1.145 2.688 -8.143 1.00 44.25 H new ATOM 0 HG23 VAL A 36 0.589 2.463 -7.813 1.00 44.25 H new ATOM 535 N LYS A 37 -0.243 7.338 -9.448 1.00 35.52 N ATOM 536 CA LYS A 37 -0.113 8.790 -9.290 1.00 55.15 C ATOM 537 C LYS A 37 -1.446 9.325 -8.757 1.00 34.14 C ATOM 538 O LYS A 37 -2.334 8.536 -8.460 1.00 71.12 O ATOM 539 CB LYS A 37 0.342 9.465 -10.589 1.00 11.44 C ATOM 540 CG LYS A 37 0.000 8.707 -11.871 1.00 14.30 C ATOM 541 CD LYS A 37 0.225 9.595 -13.086 1.00 53.15 C ATOM 542 CE LYS A 37 -0.976 10.511 -13.380 1.00 62.21 C ATOM 543 NZ LYS A 37 -0.736 11.343 -14.574 1.00 31.15 N ATOM 0 H LYS A 37 -1.174 7.076 -9.771 1.00 35.52 H new ATOM 0 HA LYS A 37 0.671 9.028 -8.571 1.00 55.15 H new ATOM 0 HB2 LYS A 37 -0.108 10.456 -10.641 1.00 11.44 H new ATOM 0 HB3 LYS A 37 1.422 9.607 -10.547 1.00 11.44 H new ATOM 0 HG2 LYS A 37 0.617 7.811 -11.947 1.00 14.30 H new ATOM 0 HG3 LYS A 37 -1.038 8.377 -11.840 1.00 14.30 H new ATOM 0 HD2 LYS A 37 1.113 10.207 -12.925 1.00 53.15 H new ATOM 0 HD3 LYS A 37 0.422 8.970 -13.957 1.00 53.15 H new ATOM 0 HE2 LYS A 37 -1.870 9.905 -13.530 1.00 62.21 H new ATOM 0 HE3 LYS A 37 -1.166 11.152 -12.519 1.00 62.21 H new ATOM 0 HZ1 LYS A 37 -1.563 11.949 -14.746 1.00 31.15 H new ATOM 0 HZ2 LYS A 37 0.103 11.938 -14.420 1.00 31.15 H new ATOM 0 HZ3 LYS A 37 -0.579 10.729 -15.399 1.00 31.15 H new ATOM 553 N VAL A 38 -1.611 10.632 -8.576 1.00 32.32 N ATOM 554 CA VAL A 38 -2.888 11.232 -8.186 1.00 31.42 C ATOM 555 C VAL A 38 -3.698 11.622 -9.423 1.00 42.35 C ATOM 556 O VAL A 38 -3.147 11.726 -10.524 1.00 72.11 O ATOM 557 CB VAL A 38 -2.666 12.402 -7.203 1.00 11.03 C ATOM 558 CG1 VAL A 38 -2.481 11.838 -5.785 1.00 4.20 C ATOM 559 CG2 VAL A 38 -1.461 13.282 -7.581 1.00 62.23 C ATOM 0 H VAL A 38 -0.859 11.311 -8.696 1.00 32.32 H new ATOM 0 HA VAL A 38 -3.484 10.494 -7.649 1.00 31.42 H new ATOM 0 HB VAL A 38 -3.546 13.043 -7.250 1.00 11.03 H new ATOM 0 HG11 VAL A 38 -2.324 12.658 -5.085 1.00 4.20 H new ATOM 0 HG12 VAL A 38 -3.372 11.280 -5.496 1.00 4.20 H new ATOM 0 HG13 VAL A 38 -1.616 11.175 -5.767 1.00 4.20 H new ATOM 0 HG21 VAL A 38 -1.356 14.087 -6.854 1.00 62.23 H new ATOM 0 HG22 VAL A 38 -0.555 12.676 -7.585 1.00 62.23 H new ATOM 0 HG23 VAL A 38 -1.618 13.707 -8.572 1.00 62.23 H new ATOM 569 N SER A 39 -5.013 11.800 -9.241 1.00 31.24 N ATOM 570 CA SER A 39 -5.907 12.521 -10.127 1.00 2.02 C ATOM 571 C SER A 39 -5.686 14.032 -9.973 1.00 55.14 C ATOM 572 O SER A 39 -4.698 14.475 -9.378 1.00 23.24 O ATOM 573 CB SER A 39 -7.339 12.098 -9.767 1.00 72.33 C ATOM 574 OG SER A 39 -8.245 12.389 -10.814 1.00 72.11 O ATOM 0 H SER A 39 -5.497 11.422 -8.427 1.00 31.24 H new ATOM 0 HA SER A 39 -5.716 12.286 -11.174 1.00 2.02 H new ATOM 0 HB2 SER A 39 -7.361 11.030 -9.552 1.00 72.33 H new ATOM 0 HB3 SER A 39 -7.654 12.612 -8.859 1.00 72.33 H new ATOM 0 HG SER A 39 -8.184 11.694 -11.502 1.00 72.11 H new ATOM 770 N ALA A 54 3.247 17.255 5.493 1.00 24.52 N ATOM 771 CA ALA A 54 3.564 16.265 6.526 1.00 60.22 C ATOM 772 C ALA A 54 2.580 16.277 7.707 1.00 11.02 C ATOM 773 O ALA A 54 2.484 15.287 8.435 1.00 35.34 O ATOM 774 CB ALA A 54 4.980 16.502 7.064 1.00 34.42 C ATOM 0 HA ALA A 54 3.486 15.290 6.044 1.00 60.22 H new ATOM 0 HB1 ALA A 54 5.206 15.761 7.831 1.00 34.42 H new ATOM 0 HB2 ALA A 54 5.699 16.412 6.249 1.00 34.42 H new ATOM 0 HB3 ALA A 54 5.043 17.501 7.495 1.00 34.42 H new ATOM 780 N LEU A 55 1.901 17.399 7.948 1.00 12.21 N ATOM 781 CA LEU A 55 0.884 17.615 8.981 1.00 4.03 C ATOM 782 C LEU A 55 -0.488 17.699 8.312 1.00 0.43 C ATOM 783 O LEU A 55 -1.501 17.381 8.942 1.00 1.22 O ATOM 784 CB LEU A 55 1.171 18.962 9.681 1.00 11.11 C ATOM 785 CG LEU A 55 2.398 19.087 10.611 1.00 60.15 C ATOM 786 CD1 LEU A 55 2.057 18.633 12.028 1.00 32.50 C ATOM 787 CD2 LEU A 55 3.686 18.389 10.157 1.00 2.12 C ATOM 0 H LEU A 55 2.057 18.238 7.390 1.00 12.21 H new ATOM 0 HA LEU A 55 0.903 16.799 9.703 1.00 4.03 H new ATOM 0 HB2 LEU A 55 1.271 19.720 8.904 1.00 11.11 H new ATOM 0 HB3 LEU A 55 0.289 19.221 10.267 1.00 11.11 H new ATOM 0 HG LEU A 55 2.625 20.152 10.572 1.00 60.15 H new ATOM 0 HD11 LEU A 55 2.937 18.731 12.663 1.00 32.50 H new ATOM 0 HD12 LEU A 55 1.253 19.252 12.425 1.00 32.50 H new ATOM 0 HD13 LEU A 55 1.737 17.591 12.009 1.00 32.50 H new ATOM 0 HD21 LEU A 55 4.469 18.554 10.897 1.00 2.12 H new ATOM 0 HD22 LEU A 55 3.503 17.319 10.054 1.00 2.12 H new ATOM 0 HD23 LEU A 55 4.002 18.797 9.197 1.00 2.12 H new ATOM 798 N ASP A 56 -0.510 18.114 7.043 1.00 62.43 N ATOM 799 CA ASP A 56 -1.702 18.186 6.214 1.00 12.12 C ATOM 800 C ASP A 56 -2.243 16.800 5.895 1.00 41.01 C ATOM 801 O ASP A 56 -1.570 15.792 6.124 1.00 35.32 O ATOM 802 CB ASP A 56 -1.403 18.937 4.909 1.00 62.25 C ATOM 803 CG ASP A 56 -2.437 20.029 4.729 1.00 33.52 C ATOM 804 OD1 ASP A 56 -3.646 19.716 4.755 1.00 15.14 O ATOM 805 OD2 ASP A 56 -2.038 21.216 4.710 1.00 23.22 O ATOM 0 H ASP A 56 0.332 18.418 6.554 1.00 62.43 H new ATOM 0 HA ASP A 56 -2.461 18.728 6.778 1.00 12.12 H new ATOM 0 HB2 ASP A 56 -0.402 19.366 4.941 1.00 62.25 H new ATOM 0 HB3 ASP A 56 -1.428 18.250 4.063 1.00 62.25 H new ATOM 809 N GLN A 57 -3.469 16.741 5.368 1.00 73.22 N ATOM 810 CA GLN A 57 -4.245 15.514 5.152 1.00 51.04 C ATOM 811 C GLN A 57 -4.476 14.675 6.435 1.00 71.21 C ATOM 812 O GLN A 57 -5.211 13.693 6.390 1.00 51.24 O ATOM 813 CB GLN A 57 -3.667 14.705 3.969 1.00 73.31 C ATOM 814 CG GLN A 57 -4.678 14.449 2.841 1.00 72.35 C ATOM 815 CD GLN A 57 -5.125 15.712 2.102 1.00 41.11 C ATOM 816 OE1 GLN A 57 -6.415 16.005 2.076 1.00 41.23 O flip ATOM 817 NE2 GLN A 57 -4.320 16.438 1.522 1.00 1.00 N flip ATOM 0 H GLN A 57 -3.969 17.578 5.068 1.00 73.22 H new ATOM 0 HA GLN A 57 -5.253 15.820 4.872 1.00 51.04 H new ATOM 0 HB2 GLN A 57 -2.809 15.239 3.561 1.00 73.31 H new ATOM 0 HB3 GLN A 57 -3.300 13.748 4.340 1.00 73.31 H new ATOM 0 HG2 GLN A 57 -4.237 13.758 2.123 1.00 72.35 H new ATOM 0 HG3 GLN A 57 -5.556 13.956 3.260 1.00 72.35 H new ATOM 0 HE21 GLN A 57 -3.325 16.214 1.541 1.00 1.00 H new ATOM 0 HE22 GLN A 57 -4.647 17.265 1.022 1.00 1.00 H new ATOM 824 N ILE A 58 -3.921 15.083 7.586 1.00 11.20 N ATOM 825 CA ILE A 58 -4.068 14.449 8.892 1.00 34.23 C ATOM 826 C ILE A 58 -4.843 15.430 9.778 1.00 53.14 C ATOM 827 O ILE A 58 -5.987 15.183 10.152 1.00 35.22 O ATOM 828 CB ILE A 58 -2.677 14.151 9.508 1.00 0.31 C ATOM 829 CG1 ILE A 58 -1.733 13.293 8.629 1.00 35.54 C ATOM 830 CG2 ILE A 58 -2.818 13.480 10.886 1.00 12.14 C ATOM 831 CD1 ILE A 58 -0.334 13.914 8.619 1.00 51.23 C ATOM 0 H ILE A 58 -3.326 15.910 7.626 1.00 11.20 H new ATOM 0 HA ILE A 58 -4.597 13.500 8.805 1.00 34.23 H new ATOM 0 HB ILE A 58 -2.210 15.132 9.593 1.00 0.31 H new ATOM 0 HG12 ILE A 58 -1.687 12.274 9.014 1.00 35.54 H new ATOM 0 HG13 ILE A 58 -2.122 13.232 7.613 1.00 35.54 H new ATOM 0 HG21 ILE A 58 -1.828 13.281 11.297 1.00 12.14 H new ATOM 0 HG22 ILE A 58 -3.364 14.141 11.559 1.00 12.14 H new ATOM 0 HG23 ILE A 58 -3.362 12.541 10.780 1.00 12.14 H new ATOM 0 HD11 ILE A 58 0.328 13.309 8.000 1.00 51.23 H new ATOM 0 HD12 ILE A 58 -0.387 14.924 8.213 1.00 51.23 H new ATOM 0 HD13 ILE A 58 0.055 13.952 9.637 1.00 51.23 H new ATOM 842 N GLN A 59 -4.191 16.534 10.160 1.00 60.25 N ATOM 843 CA GLN A 59 -4.711 17.479 11.127 1.00 63.35 C ATOM 844 C GLN A 59 -5.697 18.373 10.404 1.00 41.45 C ATOM 845 O GLN A 59 -5.368 18.940 9.359 1.00 23.42 O ATOM 846 CB GLN A 59 -3.572 18.308 11.726 1.00 0.22 C ATOM 847 CG GLN A 59 -2.688 17.461 12.648 1.00 21.21 C ATOM 848 CD GLN A 59 -1.552 18.273 13.262 1.00 63.14 C ATOM 849 OE1 GLN A 59 -1.610 19.495 13.373 1.00 0.22 O ATOM 850 NE2 GLN A 59 -0.475 17.625 13.660 1.00 55.35 N ATOM 0 H GLN A 59 -3.274 16.791 9.794 1.00 60.25 H new ATOM 0 HA GLN A 59 -5.203 16.957 11.948 1.00 63.35 H new ATOM 0 HB2 GLN A 59 -2.966 18.729 10.924 1.00 0.22 H new ATOM 0 HB3 GLN A 59 -3.986 19.147 12.286 1.00 0.22 H new ATOM 0 HG2 GLN A 59 -3.299 17.035 13.444 1.00 21.21 H new ATOM 0 HG3 GLN A 59 -2.272 16.626 12.084 1.00 21.21 H new ATOM 0 HE21 GLN A 59 -0.427 16.610 13.568 1.00 55.35 H new ATOM 0 HE22 GLN A 59 0.310 18.138 14.060 1.00 55.35 H new ATOM 857 N GLY A 60 -6.902 18.492 10.952 1.00 2.12 N ATOM 858 CA GLY A 60 -8.002 19.233 10.364 1.00 3.23 C ATOM 859 C GLY A 60 -8.637 18.452 9.218 1.00 73.45 C ATOM 860 O GLY A 60 -9.861 18.283 9.212 1.00 31.30 O ATOM 0 H GLY A 60 -7.143 18.061 11.844 1.00 2.12 H new ATOM 0 HA2 GLY A 60 -8.753 19.442 11.126 1.00 3.23 H new ATOM 0 HA3 GLY A 60 -7.643 20.195 9.998 1.00 3.23 H new ATOM 864 N ASN A 61 -7.822 17.972 8.274 1.00 3.22 N ATOM 865 CA ASN A 61 -8.292 17.336 7.050 1.00 51.54 C ATOM 866 C ASN A 61 -8.844 15.963 7.381 1.00 40.52 C ATOM 867 O ASN A 61 -8.326 15.281 8.264 1.00 52.31 O ATOM 868 CB ASN A 61 -7.151 17.170 6.039 1.00 42.24 C ATOM 869 CG ASN A 61 -6.828 18.456 5.294 1.00 63.12 C ATOM 870 OD1 ASN A 61 -6.731 19.513 5.900 1.00 14.43 O ATOM 871 ND2 ASN A 61 -6.635 18.401 3.987 1.00 63.32 N ATOM 0 H ASN A 61 -6.805 18.017 8.344 1.00 3.22 H new ATOM 0 HA ASN A 61 -9.063 17.970 6.612 1.00 51.54 H new ATOM 0 HB2 ASN A 61 -6.258 16.824 6.560 1.00 42.24 H new ATOM 0 HB3 ASN A 61 -7.420 16.397 5.319 1.00 42.24 H new ATOM 0 HD21 ASN A 61 -6.401 19.249 3.470 1.00 63.32 H new ATOM 0 HD22 ASN A 61 -6.720 17.511 3.496 1.00 63.32 H new ATOM 877 N LYS A 62 -9.859 15.528 6.637 1.00 75.42 N ATOM 878 CA LYS A 62 -10.435 14.193 6.736 1.00 60.22 C ATOM 879 C LYS A 62 -10.047 13.455 5.463 1.00 62.15 C ATOM 880 O LYS A 62 -9.190 12.572 5.499 1.00 0.44 O ATOM 881 CB LYS A 62 -11.963 14.288 6.959 1.00 50.31 C ATOM 882 CG LYS A 62 -12.391 14.406 8.435 1.00 71.05 C ATOM 883 CD LYS A 62 -11.685 15.499 9.248 1.00 2.20 C ATOM 884 CE LYS A 62 -12.247 15.562 10.669 1.00 22.01 C ATOM 885 NZ LYS A 62 -11.308 16.215 11.604 1.00 30.12 N ATOM 0 H LYS A 62 -10.313 16.110 5.933 1.00 75.42 H new ATOM 0 HA LYS A 62 -10.055 13.638 7.593 1.00 60.22 H new ATOM 0 HB2 LYS A 62 -12.343 15.152 6.414 1.00 50.31 H new ATOM 0 HB3 LYS A 62 -12.435 13.406 6.527 1.00 50.31 H new ATOM 0 HG2 LYS A 62 -13.465 14.590 8.469 1.00 71.05 H new ATOM 0 HG3 LYS A 62 -12.217 13.447 8.922 1.00 71.05 H new ATOM 0 HD2 LYS A 62 -10.614 15.299 9.283 1.00 2.20 H new ATOM 0 HD3 LYS A 62 -11.813 16.464 8.758 1.00 2.20 H new ATOM 0 HE2 LYS A 62 -13.191 16.107 10.662 1.00 22.01 H new ATOM 0 HE3 LYS A 62 -12.464 14.553 11.019 1.00 22.01 H new ATOM 0 HZ1 LYS A 62 -11.726 16.238 12.556 1.00 30.12 H new ATOM 0 HZ2 LYS A 62 -10.416 15.681 11.630 1.00 30.12 H new ATOM 0 HZ3 LYS A 62 -11.120 17.187 11.285 1.00 30.12 H new ATOM 895 N ASP A 63 -10.675 13.840 4.355 1.00 22.44 N ATOM 896 CA ASP A 63 -10.598 13.144 3.077 1.00 31.32 C ATOM 897 C ASP A 63 -9.315 13.507 2.329 1.00 15.10 C ATOM 898 O ASP A 63 -8.517 14.334 2.783 1.00 60.43 O ATOM 899 CB ASP A 63 -11.835 13.474 2.228 1.00 33.31 C ATOM 900 CG ASP A 63 -13.121 13.097 2.950 1.00 25.22 C ATOM 901 OD1 ASP A 63 -13.564 11.927 2.832 1.00 10.14 O ATOM 902 OD2 ASP A 63 -13.638 13.964 3.692 1.00 62.25 O ATOM 0 H ASP A 63 -11.268 14.669 4.322 1.00 22.44 H new ATOM 0 HA ASP A 63 -10.576 12.071 3.267 1.00 31.32 H new ATOM 0 HB2 ASP A 63 -11.845 14.539 1.996 1.00 33.31 H new ATOM 0 HB3 ASP A 63 -11.779 12.941 1.279 1.00 33.31 H new ATOM 906 N PHE A 64 -9.133 12.882 1.168 1.00 20.44 N ATOM 907 CA PHE A 64 -7.978 12.920 0.280 1.00 34.03 C ATOM 908 C PHE A 64 -8.494 12.664 -1.150 1.00 75.45 C ATOM 909 O PHE A 64 -9.585 12.103 -1.294 1.00 60.03 O ATOM 910 CB PHE A 64 -6.976 11.836 0.734 1.00 43.55 C ATOM 911 CG PHE A 64 -7.642 10.540 1.168 1.00 73.05 C ATOM 912 CD1 PHE A 64 -8.244 9.707 0.207 1.00 13.40 C ATOM 913 CD2 PHE A 64 -7.808 10.259 2.541 1.00 71.41 C ATOM 914 CE1 PHE A 64 -9.100 8.672 0.614 1.00 21.33 C ATOM 915 CE2 PHE A 64 -8.639 9.200 2.951 1.00 32.00 C ATOM 916 CZ PHE A 64 -9.333 8.450 1.983 1.00 52.24 C ATOM 0 H PHE A 64 -9.863 12.278 0.791 1.00 20.44 H new ATOM 0 HA PHE A 64 -7.464 13.881 0.306 1.00 34.03 H new ATOM 0 HB2 PHE A 64 -6.286 11.625 -0.083 1.00 43.55 H new ATOM 0 HB3 PHE A 64 -6.382 12.225 1.561 1.00 43.55 H new ATOM 0 HD1 PHE A 64 -8.047 9.864 -0.843 1.00 13.40 H new ATOM 0 HD2 PHE A 64 -7.296 10.858 3.279 1.00 71.41 H new ATOM 0 HE1 PHE A 64 -9.580 8.046 -0.124 1.00 21.33 H new ATOM 0 HE2 PHE A 64 -8.743 8.965 4.000 1.00 32.00 H new ATOM 0 HZ PHE A 64 -10.047 7.701 2.293 1.00 52.24 H new ATOM 925 N PRO A 65 -7.752 13.062 -2.199 1.00 64.54 N ATOM 926 CA PRO A 65 -8.226 12.978 -3.577 1.00 0.03 C ATOM 927 C PRO A 65 -8.203 11.552 -4.146 1.00 23.33 C ATOM 928 O PRO A 65 -7.579 10.628 -3.603 1.00 23.34 O ATOM 929 CB PRO A 65 -7.317 13.922 -4.373 1.00 62.43 C ATOM 930 CG PRO A 65 -6.013 13.897 -3.583 1.00 52.33 C ATOM 931 CD PRO A 65 -6.485 13.772 -2.138 1.00 64.54 C ATOM 0 HA PRO A 65 -9.276 13.266 -3.638 1.00 0.03 H new ATOM 0 HB2 PRO A 65 -7.174 13.576 -5.397 1.00 62.43 H new ATOM 0 HB3 PRO A 65 -7.733 14.928 -4.432 1.00 62.43 H new ATOM 0 HG2 PRO A 65 -5.381 13.058 -3.875 1.00 52.33 H new ATOM 0 HG3 PRO A 65 -5.430 14.804 -3.739 1.00 52.33 H new ATOM 0 HD2 PRO A 65 -5.759 13.227 -1.535 1.00 64.54 H new ATOM 0 HD3 PRO A 65 -6.608 14.753 -1.680 1.00 64.54 H new ATOM 936 N GLU A 66 -8.869 11.400 -5.291 1.00 31.50 N ATOM 937 CA GLU A 66 -8.820 10.212 -6.129 1.00 43.21 C ATOM 938 C GLU A 66 -7.454 10.100 -6.836 1.00 55.05 C ATOM 939 O GLU A 66 -6.667 11.056 -6.887 1.00 73.11 O ATOM 940 CB GLU A 66 -10.024 10.197 -7.093 1.00 11.24 C ATOM 941 CG GLU A 66 -10.252 11.473 -7.921 1.00 60.01 C ATOM 942 CD GLU A 66 -11.620 12.119 -7.653 1.00 63.13 C ATOM 943 OE1 GLU A 66 -11.897 12.458 -6.473 1.00 61.42 O ATOM 944 OE2 GLU A 66 -12.400 12.337 -8.602 1.00 61.11 O ATOM 0 H GLU A 66 -9.476 12.127 -5.669 1.00 31.50 H new ATOM 0 HA GLU A 66 -8.907 9.318 -5.511 1.00 43.21 H new ATOM 0 HB2 GLU A 66 -9.901 9.361 -7.781 1.00 11.24 H new ATOM 0 HB3 GLU A 66 -10.925 10.001 -6.512 1.00 11.24 H new ATOM 0 HG2 GLU A 66 -9.465 12.193 -7.696 1.00 60.01 H new ATOM 0 HG3 GLU A 66 -10.170 11.233 -8.981 1.00 60.01 H new ATOM 949 N ILE A 67 -7.139 8.925 -7.393 1.00 61.42 N ATOM 950 CA ILE A 67 -5.800 8.596 -7.896 1.00 0.00 C ATOM 951 C ILE A 67 -5.816 8.225 -9.376 1.00 51.34 C ATOM 952 O ILE A 67 -6.877 8.124 -9.978 1.00 11.23 O ATOM 953 CB ILE A 67 -5.117 7.527 -7.020 1.00 61.35 C ATOM 954 CG1 ILE A 67 -5.831 6.165 -7.074 1.00 42.22 C ATOM 955 CG2 ILE A 67 -4.940 8.055 -5.583 1.00 3.22 C ATOM 956 CD1 ILE A 67 -4.888 5.002 -6.756 1.00 52.45 C ATOM 0 H ILE A 67 -7.813 8.168 -7.508 1.00 61.42 H new ATOM 0 HA ILE A 67 -5.193 9.498 -7.821 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.126 7.338 -7.432 1.00 61.35 H new ATOM 0 HG12 ILE A 67 -6.659 6.163 -6.365 1.00 42.22 H new ATOM 0 HG13 ILE A 67 -6.260 6.021 -8.066 1.00 42.22 H new ATOM 0 HG21 ILE A 67 -4.457 7.293 -4.972 1.00 3.22 H new ATOM 0 HG22 ILE A 67 -4.322 8.953 -5.599 1.00 3.22 H new ATOM 0 HG23 ILE A 67 -5.916 8.294 -5.160 1.00 3.22 H new ATOM 0 HD11 ILE A 67 -5.439 4.063 -6.807 1.00 52.45 H new ATOM 0 HD12 ILE A 67 -4.074 4.985 -7.481 1.00 52.45 H new ATOM 0 HD13 ILE A 67 -4.479 5.129 -5.754 1.00 52.45 H new ATOM 967 N GLN A 68 -4.645 8.003 -9.966 1.00 72.23 N ATOM 968 CA GLN A 68 -4.474 7.524 -11.324 1.00 75.14 C ATOM 969 C GLN A 68 -3.478 6.382 -11.326 1.00 23.41 C ATOM 970 O GLN A 68 -2.650 6.245 -10.425 1.00 74.55 O ATOM 971 CB GLN A 68 -3.965 8.644 -12.241 1.00 75.53 C ATOM 972 CG GLN A 68 -4.977 9.768 -12.437 1.00 1.12 C ATOM 973 CD GLN A 68 -6.335 9.297 -12.929 1.00 35.52 C ATOM 974 OE1 GLN A 68 -7.407 9.850 -12.385 1.00 4.14 O flip ATOM 975 NE2 GLN A 68 -6.399 8.423 -13.789 1.00 51.10 N flip ATOM 0 H GLN A 68 -3.758 8.160 -9.488 1.00 72.23 H new ATOM 0 HA GLN A 68 -5.440 7.184 -11.698 1.00 75.14 H new ATOM 0 HB2 GLN A 68 -3.048 9.059 -11.822 1.00 75.53 H new ATOM 0 HB3 GLN A 68 -3.709 8.221 -13.212 1.00 75.53 H new ATOM 0 HG2 GLN A 68 -5.107 10.295 -11.492 1.00 1.12 H new ATOM 0 HG3 GLN A 68 -4.573 10.487 -13.150 1.00 1.12 H new ATOM 0 HE21 GLN A 68 -5.543 8.027 -14.178 1.00 51.10 H new ATOM 0 HE22 GLN A 68 -7.308 8.093 -14.114 1.00 51.10 H new ATOM 982 N LEU A 69 -3.566 5.583 -12.379 1.00 54.43 N ATOM 983 CA LEU A 69 -2.846 4.354 -12.640 1.00 15.15 C ATOM 984 C LEU A 69 -3.253 3.913 -14.058 1.00 42.31 C ATOM 985 O LEU A 69 -4.074 4.555 -14.734 1.00 14.44 O ATOM 986 CB LEU A 69 -3.234 3.341 -11.535 1.00 15.43 C ATOM 987 CG LEU A 69 -2.572 1.967 -11.523 1.00 14.23 C ATOM 988 CD1 LEU A 69 -1.114 2.186 -11.187 1.00 23.14 C ATOM 989 CD2 LEU A 69 -3.263 1.105 -10.464 1.00 33.24 C ATOM 0 H LEU A 69 -4.205 5.804 -13.142 1.00 54.43 H new ATOM 0 HA LEU A 69 -1.761 4.453 -12.611 1.00 15.15 H new ATOM 0 HB2 LEU A 69 -3.032 3.811 -10.573 1.00 15.43 H new ATOM 0 HB3 LEU A 69 -4.311 3.186 -11.595 1.00 15.43 H new ATOM 0 HG LEU A 69 -2.655 1.456 -12.482 1.00 14.23 H new ATOM 0 HD11 LEU A 69 -0.597 1.227 -11.167 1.00 23.14 H new ATOM 0 HD12 LEU A 69 -0.659 2.827 -11.942 1.00 23.14 H new ATOM 0 HD13 LEU A 69 -1.033 2.662 -10.210 1.00 23.14 H new ATOM 0 HD21 LEU A 69 -2.802 0.118 -10.441 1.00 33.24 H new ATOM 0 HD22 LEU A 69 -3.159 1.576 -9.487 1.00 33.24 H new ATOM 0 HD23 LEU A 69 -4.321 1.006 -10.709 1.00 33.24 H new ATOM 1000 N ASP A 70 -2.628 2.841 -14.527 1.00 14.13 N ATOM 1001 CA ASP A 70 -3.055 2.028 -15.658 1.00 11.22 C ATOM 1002 C ASP A 70 -4.236 1.118 -15.299 1.00 41.43 C ATOM 1003 O ASP A 70 -4.693 1.119 -14.158 1.00 73.43 O ATOM 1004 CB ASP A 70 -1.866 1.181 -16.101 1.00 31.15 C ATOM 1005 CG ASP A 70 -1.929 0.746 -17.564 1.00 55.10 C ATOM 1006 OD1 ASP A 70 -2.887 1.140 -18.270 1.00 75.52 O ATOM 1007 OD2 ASP A 70 -1.043 -0.026 -17.988 1.00 35.15 O ATOM 0 H ASP A 70 -1.764 2.497 -14.107 1.00 14.13 H new ATOM 0 HA ASP A 70 -3.392 2.685 -16.460 1.00 11.22 H new ATOM 0 HB2 ASP A 70 -0.949 1.747 -15.939 1.00 31.15 H new ATOM 0 HB3 ASP A 70 -1.809 0.294 -15.470 1.00 31.15 H new ATOM 1011 N ASN A 71 -4.713 0.321 -16.262 1.00 72.44 N ATOM 1012 CA ASN A 71 -5.837 -0.596 -16.081 1.00 0.01 C ATOM 1013 C ASN A 71 -5.339 -1.998 -15.764 1.00 33.45 C ATOM 1014 O ASN A 71 -5.241 -2.872 -16.628 1.00 3.23 O ATOM 1015 CB ASN A 71 -6.787 -0.602 -17.281 1.00 24.44 C ATOM 1016 CG ASN A 71 -8.199 -0.820 -16.772 1.00 21.31 C ATOM 1017 OD1 ASN A 71 -8.957 0.145 -16.710 1.00 75.10 O ATOM 1018 ND2 ASN A 71 -8.542 -2.024 -16.343 1.00 71.51 N ATOM 0 H ASN A 71 -4.320 0.297 -17.203 1.00 72.44 H new ATOM 0 HA ASN A 71 -6.415 -0.234 -15.231 1.00 0.01 H new ATOM 0 HB2 ASN A 71 -6.720 0.342 -17.822 1.00 24.44 H new ATOM 0 HB3 ASN A 71 -6.510 -1.391 -17.980 1.00 24.44 H new ATOM 0 HD21 ASN A 71 -9.467 -2.178 -15.942 1.00 71.51 H new ATOM 0 HD22 ASN A 71 -7.881 -2.798 -16.413 1.00 71.51 H new ATOM 1024 N ILE A 72 -4.951 -2.172 -14.515 1.00 53.30 N ATOM 1025 CA ILE A 72 -4.550 -3.454 -13.952 1.00 2.43 C ATOM 1026 C ILE A 72 -5.782 -4.157 -13.382 1.00 60.11 C ATOM 1027 O ILE A 72 -6.804 -3.520 -13.124 1.00 4.04 O ATOM 1028 CB ILE A 72 -3.464 -3.141 -12.903 1.00 43.34 C ATOM 1029 CG1 ILE A 72 -2.244 -2.508 -13.617 1.00 64.54 C ATOM 1030 CG2 ILE A 72 -2.972 -4.353 -12.094 1.00 41.04 C ATOM 1031 CD1 ILE A 72 -1.947 -1.130 -13.034 1.00 14.25 C ATOM 0 H ILE A 72 -4.904 -1.406 -13.843 1.00 53.30 H new ATOM 0 HA ILE A 72 -4.134 -4.142 -14.688 1.00 2.43 H new ATOM 0 HB ILE A 72 -3.933 -2.464 -12.188 1.00 43.34 H new ATOM 0 HG12 ILE A 72 -1.373 -3.154 -13.505 1.00 64.54 H new ATOM 0 HG13 ILE A 72 -2.443 -2.423 -14.685 1.00 64.54 H new ATOM 0 HG21 ILE A 72 -2.210 -4.031 -11.384 1.00 41.04 H new ATOM 0 HG22 ILE A 72 -3.810 -4.794 -11.553 1.00 41.04 H new ATOM 0 HG23 ILE A 72 -2.547 -5.094 -12.771 1.00 41.04 H new ATOM 0 HD11 ILE A 72 -1.087 -0.696 -13.545 1.00 14.25 H new ATOM 0 HD12 ILE A 72 -2.814 -0.483 -13.169 1.00 14.25 H new ATOM 0 HD13 ILE A 72 -1.727 -1.224 -11.971 1.00 14.25 H new ATOM 1042 N ASP A 73 -5.665 -5.465 -13.147 1.00 43.11 N ATOM 1043 CA ASP A 73 -6.693 -6.249 -12.484 1.00 34.02 C ATOM 1044 C ASP A 73 -6.003 -7.142 -11.471 1.00 34.23 C ATOM 1045 O ASP A 73 -5.244 -8.048 -11.824 1.00 73.30 O ATOM 1046 CB ASP A 73 -7.535 -7.044 -13.484 1.00 34.01 C ATOM 1047 CG ASP A 73 -9.003 -6.888 -13.129 1.00 52.43 C ATOM 1048 OD1 ASP A 73 -9.416 -7.354 -12.035 1.00 11.45 O ATOM 1049 OD2 ASP A 73 -9.738 -6.248 -13.910 1.00 51.30 O ATOM 0 H ASP A 73 -4.845 -6.009 -13.416 1.00 43.11 H new ATOM 0 HA ASP A 73 -7.399 -5.593 -11.974 1.00 34.02 H new ATOM 0 HB2 ASP A 73 -7.353 -6.687 -14.497 1.00 34.01 H new ATOM 0 HB3 ASP A 73 -7.252 -8.096 -13.461 1.00 34.01 H new ATOM 1053 N TYR A 74 -6.195 -6.841 -10.192 1.00 32.22 N ATOM 1054 CA TYR A 74 -5.530 -7.517 -9.083 1.00 21.42 C ATOM 1055 C TYR A 74 -5.924 -8.983 -8.981 1.00 20.45 C ATOM 1056 O TYR A 74 -5.177 -9.774 -8.408 1.00 3.12 O ATOM 1057 CB TYR A 74 -5.814 -6.777 -7.768 1.00 75.14 C ATOM 1058 CG TYR A 74 -5.508 -5.295 -7.842 1.00 54.50 C ATOM 1059 CD1 TYR A 74 -4.309 -4.871 -8.441 1.00 71.52 C ATOM 1060 CD2 TYR A 74 -6.448 -4.339 -7.412 1.00 33.21 C ATOM 1061 CE1 TYR A 74 -4.062 -3.509 -8.634 1.00 72.34 C ATOM 1062 CE2 TYR A 74 -6.173 -2.965 -7.545 1.00 1.35 C ATOM 1063 CZ TYR A 74 -4.976 -2.545 -8.164 1.00 35.23 C ATOM 1064 OH TYR A 74 -4.686 -1.227 -8.308 1.00 35.43 O ATOM 0 H TYR A 74 -6.832 -6.104 -9.890 1.00 32.22 H new ATOM 0 HA TYR A 74 -4.458 -7.495 -9.278 1.00 21.42 H new ATOM 0 HB2 TYR A 74 -6.862 -6.913 -7.501 1.00 75.14 H new ATOM 0 HB3 TYR A 74 -5.221 -7.225 -6.971 1.00 75.14 H new ATOM 0 HD1 TYR A 74 -3.576 -5.600 -8.753 1.00 71.52 H new ATOM 0 HD2 TYR A 74 -7.383 -4.661 -6.979 1.00 33.21 H new ATOM 0 HE1 TYR A 74 -3.165 -3.193 -9.146 1.00 72.34 H new ATOM 0 HE2 TYR A 74 -6.876 -2.234 -7.174 1.00 1.35 H new ATOM 0 HH TYR A 74 -5.415 -0.689 -7.935 1.00 35.43 H new ATOM 1073 N ASN A 75 -7.055 -9.356 -9.576 1.00 64.34 N ATOM 1074 CA ASN A 75 -7.492 -10.737 -9.740 1.00 61.01 C ATOM 1075 C ASN A 75 -6.406 -11.599 -10.379 1.00 0.52 C ATOM 1076 O ASN A 75 -6.253 -12.770 -10.037 1.00 42.54 O ATOM 1077 CB ASN A 75 -8.752 -10.771 -10.619 1.00 31.05 C ATOM 1078 CG ASN A 75 -9.978 -10.415 -9.806 1.00 72.41 C ATOM 1079 OD1 ASN A 75 -10.262 -9.148 -9.584 1.00 55.21 O flip ATOM 1080 ND2 ASN A 75 -10.667 -11.298 -9.316 1.00 71.34 N flip ATOM 0 H ASN A 75 -7.712 -8.682 -9.969 1.00 64.34 H new ATOM 0 HA ASN A 75 -7.707 -11.143 -8.752 1.00 61.01 H new ATOM 0 HB2 ASN A 75 -8.643 -10.072 -11.448 1.00 31.05 H new ATOM 0 HB3 ASN A 75 -8.872 -11.763 -11.053 1.00 31.05 H new ATOM 0 HD21 ASN A 75 -10.442 -12.277 -9.492 1.00 71.34 H new ATOM 0 HD22 ASN A 75 -11.467 -11.056 -8.732 1.00 71.34 H new ATOM 1086 N ASN A 76 -5.637 -11.019 -11.302 1.00 35.45 N ATOM 1087 CA ASN A 76 -4.685 -11.737 -12.141 1.00 62.24 C ATOM 1088 C ASN A 76 -3.355 -12.014 -11.402 1.00 51.01 C ATOM 1089 O ASN A 76 -2.422 -12.517 -12.033 1.00 23.31 O ATOM 1090 CB ASN A 76 -4.436 -10.938 -13.441 1.00 12.45 C ATOM 1091 CG ASN A 76 -5.672 -10.521 -14.248 1.00 55.52 C ATOM 1092 OD1 ASN A 76 -6.782 -11.035 -14.092 1.00 23.14 O ATOM 1093 ND2 ASN A 76 -5.510 -9.554 -15.133 1.00 12.33 N ATOM 0 H ASN A 76 -5.662 -10.016 -11.488 1.00 35.45 H new ATOM 0 HA ASN A 76 -5.115 -12.707 -12.389 1.00 62.24 H new ATOM 0 HB2 ASN A 76 -3.879 -10.037 -13.184 1.00 12.45 H new ATOM 0 HB3 ASN A 76 -3.794 -11.535 -14.088 1.00 12.45 H new ATOM 0 HD21 ASN A 76 -6.303 -9.232 -15.688 1.00 12.33 H new ATOM 0 HD22 ASN A 76 -4.592 -9.129 -15.262 1.00 12.33 H new ATOM 1099 N TYR A 77 -3.228 -11.667 -10.108 1.00 53.13 N ATOM 1100 CA TYR A 77 -2.006 -11.739 -9.294 1.00 61.52 C ATOM 1101 C TYR A 77 -2.337 -12.349 -7.917 1.00 41.32 C ATOM 1102 O TYR A 77 -3.506 -12.396 -7.539 1.00 22.31 O ATOM 1103 CB TYR A 77 -1.360 -10.334 -9.171 1.00 13.22 C ATOM 1104 CG TYR A 77 -0.935 -9.717 -10.504 1.00 23.35 C ATOM 1105 CD1 TYR A 77 -1.898 -9.173 -11.376 1.00 33.32 C ATOM 1106 CD2 TYR A 77 0.412 -9.757 -10.917 1.00 64.20 C ATOM 1107 CE1 TYR A 77 -1.550 -8.822 -12.693 1.00 54.20 C ATOM 1108 CE2 TYR A 77 0.771 -9.414 -12.235 1.00 31.54 C ATOM 1109 CZ TYR A 77 -0.224 -8.992 -13.145 1.00 61.11 C ATOM 1110 OH TYR A 77 0.067 -8.765 -14.456 1.00 52.23 O ATOM 0 H TYR A 77 -4.021 -11.309 -9.575 1.00 53.13 H new ATOM 0 HA TYR A 77 -1.276 -12.387 -9.779 1.00 61.52 H new ATOM 0 HB2 TYR A 77 -2.067 -9.663 -8.683 1.00 13.22 H new ATOM 0 HB3 TYR A 77 -0.487 -10.404 -8.522 1.00 13.22 H new ATOM 0 HD1 TYR A 77 -2.911 -9.024 -11.031 1.00 33.32 H new ATOM 0 HD2 TYR A 77 1.177 -10.054 -10.215 1.00 64.20 H new ATOM 0 HE1 TYR A 77 -2.299 -8.422 -13.360 1.00 54.20 H new ATOM 0 HE2 TYR A 77 1.803 -9.473 -12.549 1.00 31.54 H new ATOM 0 HH TYR A 77 0.468 -7.876 -14.553 1.00 52.23 H new ATOM 1119 N ASP A 78 -1.328 -12.797 -7.154 1.00 1.33 N ATOM 1120 CA ASP A 78 -1.491 -13.516 -5.869 1.00 13.25 C ATOM 1121 C ASP A 78 -0.770 -12.823 -4.706 1.00 14.25 C ATOM 1122 O ASP A 78 -0.910 -13.221 -3.553 1.00 72.22 O ATOM 1123 CB ASP A 78 -0.952 -14.945 -6.011 1.00 42.44 C ATOM 1124 CG ASP A 78 -1.154 -15.836 -4.769 1.00 13.21 C ATOM 1125 OD1 ASP A 78 -2.302 -16.246 -4.473 1.00 54.13 O ATOM 1126 OD2 ASP A 78 -0.139 -16.221 -4.138 1.00 42.20 O ATOM 0 H ASP A 78 -0.350 -12.669 -7.415 1.00 1.33 H new ATOM 0 HA ASP A 78 -2.556 -13.522 -5.638 1.00 13.25 H new ATOM 0 HB2 ASP A 78 -1.438 -15.419 -6.864 1.00 42.44 H new ATOM 0 HB3 ASP A 78 0.113 -14.896 -6.237 1.00 42.44 H new ATOM 1130 N LEU A 79 0.002 -11.773 -4.981 1.00 40.32 N ATOM 1131 CA LEU A 79 0.774 -11.051 -3.970 1.00 43.04 C ATOM 1132 C LEU A 79 0.862 -9.580 -4.385 1.00 2.10 C ATOM 1133 O LEU A 79 1.086 -9.311 -5.569 1.00 31.44 O ATOM 1134 CB LEU A 79 2.172 -11.694 -3.911 1.00 24.53 C ATOM 1135 CG LEU A 79 2.910 -11.630 -2.568 1.00 2.04 C ATOM 1136 CD1 LEU A 79 2.849 -10.260 -1.900 1.00 3.24 C ATOM 1137 CD2 LEU A 79 2.437 -12.710 -1.593 1.00 53.01 C ATOM 0 H LEU A 79 0.111 -11.395 -5.922 1.00 40.32 H new ATOM 0 HA LEU A 79 0.308 -11.104 -2.986 1.00 43.04 H new ATOM 0 HB2 LEU A 79 2.076 -12.742 -4.195 1.00 24.53 H new ATOM 0 HB3 LEU A 79 2.797 -11.216 -4.665 1.00 24.53 H new ATOM 0 HG LEU A 79 3.954 -11.819 -2.819 1.00 2.04 H new ATOM 0 HD11 LEU A 79 3.392 -10.291 -0.956 1.00 3.24 H new ATOM 0 HD12 LEU A 79 3.302 -9.515 -2.555 1.00 3.24 H new ATOM 0 HD13 LEU A 79 1.809 -9.993 -1.712 1.00 3.24 H new ATOM 0 HD21 LEU A 79 2.989 -12.623 -0.657 1.00 53.01 H new ATOM 0 HD22 LEU A 79 1.372 -12.584 -1.399 1.00 53.01 H new ATOM 0 HD23 LEU A 79 2.612 -13.694 -2.027 1.00 53.01 H new ATOM 1148 N ILE A 80 0.687 -8.626 -3.466 1.00 20.53 N ATOM 1149 CA ILE A 80 0.734 -7.191 -3.766 1.00 71.52 C ATOM 1150 C ILE A 80 1.578 -6.452 -2.721 1.00 23.31 C ATOM 1151 O ILE A 80 1.265 -6.466 -1.532 1.00 62.42 O ATOM 1152 CB ILE A 80 -0.690 -6.604 -3.934 1.00 72.55 C ATOM 1153 CG1 ILE A 80 -1.439 -7.439 -4.998 1.00 62.21 C ATOM 1154 CG2 ILE A 80 -0.618 -5.114 -4.332 1.00 34.31 C ATOM 1155 CD1 ILE A 80 -2.779 -6.891 -5.483 1.00 54.42 C ATOM 0 H ILE A 80 0.507 -8.830 -2.483 1.00 20.53 H new ATOM 0 HA ILE A 80 1.229 -7.046 -4.726 1.00 71.52 H new ATOM 0 HB ILE A 80 -1.232 -6.656 -2.990 1.00 72.55 H new ATOM 0 HG12 ILE A 80 -0.785 -7.553 -5.863 1.00 62.21 H new ATOM 0 HG13 ILE A 80 -1.607 -8.436 -4.591 1.00 62.21 H new ATOM 0 HG21 ILE A 80 -1.627 -4.719 -4.446 1.00 34.31 H new ATOM 0 HG22 ILE A 80 -0.094 -4.555 -3.556 1.00 34.31 H new ATOM 0 HG23 ILE A 80 -0.081 -5.015 -5.275 1.00 34.31 H new ATOM 0 HD11 ILE A 80 -3.201 -7.568 -6.226 1.00 54.42 H new ATOM 0 HD12 ILE A 80 -3.464 -6.805 -4.639 1.00 54.42 H new ATOM 0 HD13 ILE A 80 -2.630 -5.908 -5.930 1.00 54.42 H new ATOM 1166 N LEU A 81 2.652 -5.800 -3.176 1.00 31.33 N ATOM 1167 CA LEU A 81 3.512 -4.909 -2.396 1.00 21.21 C ATOM 1168 C LEU A 81 3.133 -3.449 -2.645 1.00 3.32 C ATOM 1169 O LEU A 81 2.804 -3.065 -3.773 1.00 13.32 O ATOM 1170 CB LEU A 81 4.994 -5.091 -2.786 1.00 3.01 C ATOM 1171 CG LEU A 81 5.781 -6.181 -2.042 1.00 54.31 C ATOM 1172 CD1 LEU A 81 5.980 -5.775 -0.582 1.00 43.01 C ATOM 1173 CD2 LEU A 81 5.141 -7.564 -2.116 1.00 73.35 C ATOM 0 H LEU A 81 2.959 -5.884 -4.145 1.00 31.33 H new ATOM 0 HA LEU A 81 3.374 -5.162 -1.345 1.00 21.21 H new ATOM 0 HB2 LEU A 81 5.039 -5.309 -3.853 1.00 3.01 H new ATOM 0 HB3 LEU A 81 5.504 -4.140 -2.633 1.00 3.01 H new ATOM 0 HG LEU A 81 6.742 -6.263 -2.549 1.00 54.31 H new ATOM 0 HD11 LEU A 81 6.539 -6.553 -0.061 1.00 43.01 H new ATOM 0 HD12 LEU A 81 6.535 -4.838 -0.537 1.00 43.01 H new ATOM 0 HD13 LEU A 81 5.009 -5.645 -0.105 1.00 43.01 H new ATOM 0 HD21 LEU A 81 5.755 -8.279 -1.568 1.00 73.35 H new ATOM 0 HD22 LEU A 81 4.145 -7.528 -1.675 1.00 73.35 H new ATOM 0 HD23 LEU A 81 5.066 -7.875 -3.158 1.00 73.35 H new ATOM 1184 N ILE A 82 3.287 -2.603 -1.623 1.00 22.11 N ATOM 1185 CA ILE A 82 2.840 -1.208 -1.594 1.00 3.14 C ATOM 1186 C ILE A 82 3.955 -0.321 -1.015 1.00 1.43 C ATOM 1187 O ILE A 82 4.344 -0.530 0.133 1.00 4.12 O ATOM 1188 CB ILE A 82 1.551 -1.128 -0.739 1.00 33.54 C ATOM 1189 CG1 ILE A 82 0.470 -2.108 -1.251 1.00 60.13 C ATOM 1190 CG2 ILE A 82 1.016 0.312 -0.719 1.00 11.23 C ATOM 1191 CD1 ILE A 82 -0.889 -1.983 -0.558 1.00 75.42 C ATOM 0 H ILE A 82 3.746 -2.884 -0.756 1.00 22.11 H new ATOM 0 HA ILE A 82 2.621 -0.850 -2.600 1.00 3.14 H new ATOM 0 HB ILE A 82 1.803 -1.423 0.280 1.00 33.54 H new ATOM 0 HG12 ILE A 82 0.333 -1.949 -2.321 1.00 60.13 H new ATOM 0 HG13 ILE A 82 0.834 -3.127 -1.124 1.00 60.13 H new ATOM 0 HG21 ILE A 82 0.110 0.355 -0.115 1.00 11.23 H new ATOM 0 HG22 ILE A 82 1.769 0.974 -0.291 1.00 11.23 H new ATOM 0 HG23 ILE A 82 0.789 0.630 -1.737 1.00 11.23 H new ATOM 0 HD11 ILE A 82 -1.582 -2.709 -0.983 1.00 75.42 H new ATOM 0 HD12 ILE A 82 -0.772 -2.174 0.509 1.00 75.42 H new ATOM 0 HD13 ILE A 82 -1.282 -0.977 -0.706 1.00 75.42 H new ATOM 1202 N GLY A 83 4.434 0.703 -1.735 1.00 72.55 N ATOM 1203 CA GLY A 83 5.507 1.592 -1.272 1.00 55.42 C ATOM 1204 C GLY A 83 5.045 3.046 -1.106 1.00 55.33 C ATOM 1205 O GLY A 83 4.288 3.550 -1.942 1.00 23.20 O ATOM 0 H GLY A 83 4.084 0.939 -2.663 1.00 72.55 H new ATOM 0 HA2 GLY A 83 5.890 1.226 -0.319 1.00 55.42 H new ATOM 0 HA3 GLY A 83 6.333 1.557 -1.982 1.00 55.42 H new ATOM 1209 N SER A 84 5.497 3.726 -0.043 1.00 22.41 N ATOM 1210 CA SER A 84 5.146 5.110 0.316 1.00 51.41 C ATOM 1211 C SER A 84 6.158 5.704 1.325 1.00 61.32 C ATOM 1212 O SER A 84 6.905 4.936 1.942 1.00 42.14 O ATOM 1213 CB SER A 84 3.724 5.140 0.902 1.00 13.40 C ATOM 1214 OG SER A 84 3.405 3.992 1.663 1.00 41.32 O ATOM 0 H SER A 84 6.148 3.308 0.622 1.00 22.41 H new ATOM 0 HA SER A 84 5.183 5.723 -0.585 1.00 51.41 H new ATOM 0 HB2 SER A 84 3.617 6.024 1.530 1.00 13.40 H new ATOM 0 HB3 SER A 84 3.006 5.238 0.088 1.00 13.40 H new ATOM 0 HG SER A 84 2.560 4.139 2.138 1.00 41.32 H new ATOM 1219 N PRO A 85 6.211 7.041 1.524 1.00 51.01 N ATOM 1220 CA PRO A 85 7.076 7.698 2.514 1.00 15.24 C ATOM 1221 C PRO A 85 6.500 7.624 3.943 1.00 42.22 C ATOM 1222 O PRO A 85 5.297 7.416 4.117 1.00 44.04 O ATOM 1223 CB PRO A 85 7.176 9.153 2.046 1.00 73.43 C ATOM 1224 CG PRO A 85 5.820 9.398 1.394 1.00 64.54 C ATOM 1225 CD PRO A 85 5.492 8.049 0.754 1.00 43.13 C ATOM 0 HA PRO A 85 8.047 7.206 2.571 1.00 15.24 H new ATOM 0 HB2 PRO A 85 7.352 9.834 2.879 1.00 73.43 H new ATOM 0 HB3 PRO A 85 7.995 9.295 1.340 1.00 73.43 H new ATOM 0 HG2 PRO A 85 5.068 9.690 2.127 1.00 64.54 H new ATOM 0 HG3 PRO A 85 5.868 10.195 0.652 1.00 64.54 H new ATOM 0 HD2 PRO A 85 4.419 7.860 0.774 1.00 43.13 H new ATOM 0 HD3 PRO A 85 5.799 8.031 -0.292 1.00 43.13 H new ATOM 1230 N VAL A 86 7.335 7.854 4.967 1.00 14.13 N ATOM 1231 CA VAL A 86 6.936 8.127 6.355 1.00 64.55 C ATOM 1232 C VAL A 86 7.994 9.040 6.960 1.00 61.11 C ATOM 1233 O VAL A 86 9.167 8.896 6.632 1.00 22.14 O ATOM 1234 CB VAL A 86 6.892 6.869 7.256 1.00 72.55 C ATOM 1235 CG1 VAL A 86 5.933 7.096 8.434 1.00 74.55 C ATOM 1236 CG2 VAL A 86 6.512 5.589 6.529 1.00 20.41 C ATOM 0 H VAL A 86 8.348 7.855 4.845 1.00 14.13 H new ATOM 0 HA VAL A 86 5.934 8.553 6.318 1.00 64.55 H new ATOM 0 HB VAL A 86 7.913 6.726 7.610 1.00 72.55 H new ATOM 0 HG11 VAL A 86 5.910 6.205 9.061 1.00 74.55 H new ATOM 0 HG12 VAL A 86 6.276 7.946 9.024 1.00 74.55 H new ATOM 0 HG13 VAL A 86 4.932 7.298 8.054 1.00 74.55 H new ATOM 0 HG21 VAL A 86 6.505 4.758 7.234 1.00 20.41 H new ATOM 0 HG22 VAL A 86 5.520 5.700 6.090 1.00 20.41 H new ATOM 0 HG23 VAL A 86 7.237 5.390 5.740 1.00 20.41 H new ATOM 1246 N TRP A 87 7.623 9.898 7.913 1.00 2.12 N ATOM 1247 CA TRP A 87 8.599 10.621 8.721 1.00 63.22 C ATOM 1248 C TRP A 87 8.029 11.154 10.011 1.00 21.34 C ATOM 1249 O TRP A 87 8.678 11.084 11.058 1.00 40.32 O ATOM 1250 CB TRP A 87 9.271 11.703 7.874 1.00 32.54 C ATOM 1251 CG TRP A 87 10.624 12.123 8.359 1.00 12.33 C ATOM 1252 CD1 TRP A 87 11.718 11.331 8.398 1.00 61.41 C ATOM 1253 CD2 TRP A 87 11.055 13.425 8.851 1.00 54.43 C ATOM 1254 NE1 TRP A 87 12.796 12.043 8.884 1.00 63.52 N ATOM 1255 CE2 TRP A 87 12.442 13.346 9.181 1.00 44.42 C ATOM 1256 CE3 TRP A 87 10.415 14.670 9.037 1.00 71.13 C ATOM 1257 CZ2 TRP A 87 13.155 14.457 9.655 1.00 60.14 C ATOM 1258 CZ3 TRP A 87 11.123 15.786 9.521 1.00 4.13 C ATOM 1259 CH2 TRP A 87 12.491 15.683 9.824 1.00 61.44 C ATOM 0 H TRP A 87 6.651 10.107 8.142 1.00 2.12 H new ATOM 0 HA TRP A 87 9.363 9.911 9.038 1.00 63.22 H new ATOM 0 HB2 TRP A 87 9.363 11.340 6.850 1.00 32.54 H new ATOM 0 HB3 TRP A 87 8.622 12.578 7.845 1.00 32.54 H new ATOM 0 HD1 TRP A 87 11.745 10.295 8.094 1.00 61.41 H new ATOM 0 HE1 TRP A 87 13.732 11.658 9.008 1.00 63.52 H new ATOM 0 HE3 TRP A 87 9.365 14.767 8.804 1.00 71.13 H new ATOM 0 HZ2 TRP A 87 14.206 14.370 9.888 1.00 60.14 H new ATOM 0 HZ3 TRP A 87 10.612 16.727 9.660 1.00 4.13 H new ATOM 0 HH2 TRP A 87 13.031 16.545 10.186 1.00 61.44 H new ATOM 1269 N SER A 88 6.778 11.560 9.948 1.00 72.43 N ATOM 1270 CA SER A 88 6.050 12.107 11.075 1.00 62.22 C ATOM 1271 C SER A 88 4.694 11.401 11.207 1.00 61.41 C ATOM 1272 O SER A 88 3.623 11.950 10.940 1.00 75.51 O ATOM 1273 CB SER A 88 6.009 13.640 10.970 1.00 4.44 C ATOM 1274 OG SER A 88 5.973 14.067 9.618 1.00 52.02 O ATOM 0 H SER A 88 6.226 11.518 9.092 1.00 72.43 H new ATOM 0 HA SER A 88 6.557 11.909 12.019 1.00 62.22 H new ATOM 0 HB2 SER A 88 5.132 14.019 11.496 1.00 4.44 H new ATOM 0 HB3 SER A 88 6.884 14.063 11.463 1.00 4.44 H new ATOM 0 HG SER A 88 6.263 15.002 9.562 1.00 52.02 H new ATOM 1279 N GLY A 89 4.770 10.120 11.570 1.00 74.44 N ATOM 1280 CA GLY A 89 3.661 9.220 11.836 1.00 73.21 C ATOM 1281 C GLY A 89 3.071 8.671 10.554 1.00 61.44 C ATOM 1282 O GLY A 89 3.194 7.471 10.293 1.00 74.34 O ATOM 0 H GLY A 89 5.671 9.658 11.693 1.00 74.44 H new ATOM 0 HA2 GLY A 89 4.002 8.396 12.463 1.00 73.21 H new ATOM 0 HA3 GLY A 89 2.889 9.748 12.396 1.00 73.21 H new ATOM 1286 N TYR A 90 2.433 9.552 9.797 1.00 52.05 N ATOM 1287 CA TYR A 90 1.587 9.273 8.648 1.00 13.03 C ATOM 1288 C TYR A 90 1.527 10.508 7.720 1.00 64.55 C ATOM 1289 O TYR A 90 0.446 11.025 7.468 1.00 51.14 O ATOM 1290 CB TYR A 90 0.197 8.818 9.156 1.00 32.32 C ATOM 1291 CG TYR A 90 -0.384 9.470 10.417 1.00 60.22 C ATOM 1292 CD1 TYR A 90 -0.024 10.766 10.842 1.00 61.41 C ATOM 1293 CD2 TYR A 90 -1.276 8.725 11.211 1.00 34.33 C ATOM 1294 CE1 TYR A 90 -0.449 11.253 12.090 1.00 4.04 C ATOM 1295 CE2 TYR A 90 -1.731 9.207 12.453 1.00 44.32 C ATOM 1296 CZ TYR A 90 -1.302 10.478 12.909 1.00 3.13 C ATOM 1297 OH TYR A 90 -1.714 10.990 14.105 1.00 52.15 O ATOM 0 H TYR A 90 2.499 10.553 9.984 1.00 52.05 H new ATOM 0 HA TYR A 90 1.999 8.463 8.046 1.00 13.03 H new ATOM 0 HB2 TYR A 90 -0.516 8.974 8.347 1.00 32.32 H new ATOM 0 HB3 TYR A 90 0.247 7.744 9.334 1.00 32.32 H new ATOM 0 HD1 TYR A 90 0.584 11.389 10.203 1.00 61.41 H new ATOM 0 HD2 TYR A 90 -1.619 7.763 10.860 1.00 34.33 H new ATOM 0 HE1 TYR A 90 -0.122 12.226 12.426 1.00 4.04 H new ATOM 0 HE2 TYR A 90 -2.403 8.612 13.054 1.00 44.32 H new ATOM 0 HH TYR A 90 -2.296 10.343 14.555 1.00 52.15 H new ATOM 1306 N PRO A 91 2.674 11.042 7.252 1.00 40.11 N ATOM 1307 CA PRO A 91 2.760 12.299 6.498 1.00 53.04 C ATOM 1308 C PRO A 91 2.152 12.274 5.084 1.00 75.53 C ATOM 1309 O PRO A 91 2.378 13.227 4.334 1.00 71.51 O ATOM 1310 CB PRO A 91 4.255 12.630 6.446 1.00 41.44 C ATOM 1311 CG PRO A 91 4.875 11.245 6.395 1.00 11.21 C ATOM 1312 CD PRO A 91 4.015 10.496 7.408 1.00 51.22 C ATOM 0 HA PRO A 91 2.159 13.055 7.003 1.00 53.04 H new ATOM 0 HB2 PRO A 91 4.512 13.226 5.570 1.00 41.44 H new ATOM 0 HB3 PRO A 91 4.581 13.192 7.321 1.00 41.44 H new ATOM 0 HG2 PRO A 91 4.816 10.804 5.400 1.00 11.21 H new ATOM 0 HG3 PRO A 91 5.928 11.255 6.677 1.00 11.21 H new ATOM 0 HD2 PRO A 91 4.027 9.423 7.217 1.00 51.22 H new ATOM 0 HD3 PRO A 91 4.384 10.644 8.423 1.00 51.22 H new ATOM 1317 N ALA A 92 1.494 11.191 4.659 1.00 54.13 N ATOM 1318 CA ALA A 92 0.848 11.082 3.360 1.00 1.30 C ATOM 1319 C ALA A 92 -0.460 10.293 3.516 1.00 60.14 C ATOM 1320 O ALA A 92 -0.555 9.453 4.420 1.00 51.42 O ATOM 1321 CB ALA A 92 1.824 10.359 2.409 1.00 21.53 C ATOM 0 H ALA A 92 1.397 10.349 5.227 1.00 54.13 H new ATOM 0 HA ALA A 92 0.605 12.063 2.951 1.00 1.30 H new ATOM 0 HB1 ALA A 92 1.367 10.262 1.424 1.00 21.53 H new ATOM 0 HB2 ALA A 92 2.745 10.935 2.326 1.00 21.53 H new ATOM 0 HB3 ALA A 92 2.050 9.368 2.804 1.00 21.53 H new ATOM 1327 N THR A 93 -1.380 10.380 2.550 1.00 23.23 N ATOM 1328 CA THR A 93 -2.495 9.436 2.425 1.00 60.45 C ATOM 1329 C THR A 93 -2.669 8.964 0.971 1.00 23.50 C ATOM 1330 O THR A 93 -3.783 8.973 0.448 1.00 72.32 O ATOM 1331 CB THR A 93 -3.815 10.038 2.948 1.00 51.23 C ATOM 1332 OG1 THR A 93 -4.100 11.235 2.262 1.00 75.14 O ATOM 1333 CG2 THR A 93 -3.853 10.327 4.447 1.00 15.00 C ATOM 0 H THR A 93 -1.373 11.106 1.834 1.00 23.23 H new ATOM 0 HA THR A 93 -2.247 8.573 3.043 1.00 60.45 H new ATOM 0 HB THR A 93 -4.563 9.267 2.763 1.00 51.23 H new ATOM 0 HG1 THR A 93 -4.357 11.030 1.339 1.00 75.14 H new ATOM 0 HG21 THR A 93 -4.823 10.748 4.712 1.00 15.00 H new ATOM 0 HG22 THR A 93 -3.696 9.401 5.000 1.00 15.00 H new ATOM 0 HG23 THR A 93 -3.067 11.039 4.700 1.00 15.00 H new ATOM 1341 N PRO A 94 -1.617 8.438 0.318 1.00 62.52 N ATOM 1342 CA PRO A 94 -1.790 7.711 -0.916 1.00 43.04 C ATOM 1343 C PRO A 94 -2.547 6.419 -0.605 1.00 71.14 C ATOM 1344 O PRO A 94 -3.576 6.131 -1.217 1.00 75.45 O ATOM 1345 CB PRO A 94 -0.373 7.501 -1.456 1.00 33.30 C ATOM 1346 CG PRO A 94 0.547 7.598 -0.250 1.00 60.42 C ATOM 1347 CD PRO A 94 -0.209 8.554 0.642 1.00 61.11 C ATOM 0 HA PRO A 94 -2.381 8.224 -1.674 1.00 43.04 H new ATOM 0 HB2 PRO A 94 -0.280 6.530 -1.942 1.00 33.30 H new ATOM 0 HB3 PRO A 94 -0.122 8.256 -2.201 1.00 33.30 H new ATOM 0 HG2 PRO A 94 0.700 6.629 0.226 1.00 60.42 H new ATOM 0 HG3 PRO A 94 1.532 7.981 -0.517 1.00 60.42 H new ATOM 0 HD2 PRO A 94 -0.037 8.315 1.692 1.00 61.11 H new ATOM 0 HD3 PRO A 94 0.136 9.576 0.487 1.00 61.11 H new ATOM 1352 N ILE A 95 -2.073 5.636 0.368 1.00 74.53 N ATOM 1353 CA ILE A 95 -2.532 4.279 0.655 1.00 13.43 C ATOM 1354 C ILE A 95 -3.825 4.353 1.486 1.00 51.41 C ATOM 1355 O ILE A 95 -3.870 4.023 2.670 1.00 23.22 O ATOM 1356 CB ILE A 95 -1.417 3.469 1.359 1.00 54.43 C ATOM 1357 CG1 ILE A 95 0.036 3.777 0.919 1.00 1.30 C ATOM 1358 CG2 ILE A 95 -1.708 1.965 1.236 1.00 3.22 C ATOM 1359 CD1 ILE A 95 0.335 3.777 -0.588 1.00 74.25 C ATOM 0 H ILE A 95 -1.333 5.943 0.999 1.00 74.53 H new ATOM 0 HA ILE A 95 -2.758 3.752 -0.272 1.00 13.43 H new ATOM 0 HB ILE A 95 -1.453 3.794 2.399 1.00 54.43 H new ATOM 0 HG12 ILE A 95 0.308 4.755 1.316 1.00 1.30 H new ATOM 0 HG13 ILE A 95 0.693 3.047 1.392 1.00 1.30 H new ATOM 0 HG21 ILE A 95 -0.920 1.400 1.733 1.00 3.22 H new ATOM 0 HG22 ILE A 95 -2.666 1.740 1.704 1.00 3.22 H new ATOM 0 HG23 ILE A 95 -1.745 1.686 0.183 1.00 3.22 H new ATOM 0 HD11 ILE A 95 1.388 4.007 -0.750 1.00 74.25 H new ATOM 0 HD12 ILE A 95 0.110 2.795 -1.004 1.00 74.25 H new ATOM 0 HD13 ILE A 95 -0.281 4.529 -1.081 1.00 74.25 H new ATOM 1370 N LYS A 96 -4.867 4.877 0.862 1.00 23.12 N ATOM 1371 CA LYS A 96 -6.254 4.931 1.292 1.00 1.41 C ATOM 1372 C LYS A 96 -7.137 4.741 0.063 1.00 32.10 C ATOM 1373 O LYS A 96 -8.103 3.978 0.092 1.00 13.32 O ATOM 1374 CB LYS A 96 -6.513 6.293 1.967 1.00 43.42 C ATOM 1375 CG LYS A 96 -6.721 6.187 3.483 1.00 54.12 C ATOM 1376 CD LYS A 96 -8.094 5.584 3.805 1.00 55.21 C ATOM 1377 CE LYS A 96 -8.303 5.520 5.317 1.00 31.23 C ATOM 1378 NZ LYS A 96 -9.685 5.147 5.675 1.00 25.11 N ATOM 0 H LYS A 96 -4.750 5.319 -0.050 1.00 23.12 H new ATOM 0 HA LYS A 96 -6.480 4.146 2.014 1.00 1.41 H new ATOM 0 HB2 LYS A 96 -5.671 6.956 1.768 1.00 43.42 H new ATOM 0 HB3 LYS A 96 -7.393 6.752 1.517 1.00 43.42 H new ATOM 0 HG2 LYS A 96 -5.936 5.569 3.920 1.00 54.12 H new ATOM 0 HG3 LYS A 96 -6.638 7.175 3.936 1.00 54.12 H new ATOM 0 HD2 LYS A 96 -8.879 6.186 3.348 1.00 55.21 H new ATOM 0 HD3 LYS A 96 -8.169 4.584 3.378 1.00 55.21 H new ATOM 0 HE2 LYS A 96 -7.611 4.796 5.747 1.00 31.23 H new ATOM 0 HE3 LYS A 96 -8.065 6.489 5.756 1.00 31.23 H new ATOM 0 HZ1 LYS A 96 -9.779 5.116 6.710 1.00 25.11 H new ATOM 0 HZ2 LYS A 96 -10.346 5.851 5.288 1.00 25.11 H new ATOM 0 HZ3 LYS A 96 -9.905 4.211 5.279 1.00 25.11 H new ATOM 1388 N THR A 97 -6.772 5.377 -1.048 1.00 73.05 N ATOM 1389 CA THR A 97 -7.529 5.273 -2.279 1.00 2.11 C ATOM 1390 C THR A 97 -7.300 3.913 -2.961 1.00 31.43 C ATOM 1391 O THR A 97 -8.265 3.211 -3.264 1.00 42.21 O ATOM 1392 CB THR A 97 -7.172 6.472 -3.168 1.00 52.33 C ATOM 1393 OG1 THR A 97 -7.164 7.657 -2.391 1.00 74.25 O ATOM 1394 CG2 THR A 97 -8.182 6.571 -4.296 1.00 21.43 C ATOM 0 H THR A 97 -5.947 5.974 -1.114 1.00 73.05 H new ATOM 0 HA THR A 97 -8.599 5.310 -2.074 1.00 2.11 H new ATOM 0 HB THR A 97 -6.178 6.338 -3.596 1.00 52.33 H new ATOM 0 HG1 THR A 97 -7.308 8.431 -2.974 1.00 74.25 H new ATOM 0 HG21 THR A 97 -7.935 7.421 -4.932 1.00 21.43 H new ATOM 0 HG22 THR A 97 -8.158 5.656 -4.888 1.00 21.43 H new ATOM 0 HG23 THR A 97 -9.180 6.708 -3.880 1.00 21.43 H new ATOM 1402 N LEU A 98 -6.038 3.500 -3.175 1.00 53.43 N ATOM 1403 CA LEU A 98 -5.710 2.232 -3.844 1.00 32.44 C ATOM 1404 C LEU A 98 -6.356 1.052 -3.114 1.00 51.21 C ATOM 1405 O LEU A 98 -6.982 0.206 -3.739 1.00 31.22 O ATOM 1406 CB LEU A 98 -4.180 2.058 -3.944 1.00 1.12 C ATOM 1407 CG LEU A 98 -3.659 1.065 -5.012 1.00 55.34 C ATOM 1408 CD1 LEU A 98 -4.224 -0.357 -4.939 1.00 34.44 C ATOM 1409 CD2 LEU A 98 -3.871 1.611 -6.425 1.00 33.41 C ATOM 0 H LEU A 98 -5.219 4.036 -2.889 1.00 53.43 H new ATOM 0 HA LEU A 98 -6.114 2.257 -4.856 1.00 32.44 H new ATOM 0 HB2 LEU A 98 -3.739 3.035 -4.144 1.00 1.12 H new ATOM 0 HB3 LEU A 98 -3.810 1.735 -2.971 1.00 1.12 H new ATOM 0 HG LEU A 98 -2.598 0.977 -4.778 1.00 55.34 H new ATOM 0 HD11 LEU A 98 -3.789 -0.963 -5.734 1.00 34.44 H new ATOM 0 HD12 LEU A 98 -3.979 -0.797 -3.972 1.00 34.44 H new ATOM 0 HD13 LEU A 98 -5.307 -0.325 -5.059 1.00 34.44 H new ATOM 0 HD21 LEU A 98 -3.495 0.892 -7.153 1.00 33.41 H new ATOM 0 HD22 LEU A 98 -4.935 1.778 -6.595 1.00 33.41 H new ATOM 0 HD23 LEU A 98 -3.334 2.553 -6.535 1.00 33.41 H new ATOM 1420 N LEU A 99 -6.293 1.050 -1.780 1.00 4.50 N ATOM 1421 CA LEU A 99 -6.932 0.071 -0.900 1.00 72.33 C ATOM 1422 C LEU A 99 -8.387 -0.219 -1.279 1.00 35.01 C ATOM 1423 O LEU A 99 -8.827 -1.364 -1.194 1.00 20.32 O ATOM 1424 CB LEU A 99 -6.879 0.609 0.542 1.00 1.44 C ATOM 1425 CG LEU A 99 -5.744 0.016 1.385 1.00 74.04 C ATOM 1426 CD1 LEU A 99 -5.503 0.864 2.634 1.00 31.31 C ATOM 1427 CD2 LEU A 99 -6.104 -1.417 1.782 1.00 63.11 C ATOM 0 H LEU A 99 -5.774 1.760 -1.263 1.00 4.50 H new ATOM 0 HA LEU A 99 -6.389 -0.869 -0.999 1.00 72.33 H new ATOM 0 HB2 LEU A 99 -6.767 1.693 0.511 1.00 1.44 H new ATOM 0 HB3 LEU A 99 -7.830 0.400 1.032 1.00 1.44 H new ATOM 0 HG LEU A 99 -4.828 0.011 0.795 1.00 74.04 H new ATOM 0 HD11 LEU A 99 -4.694 0.427 3.220 1.00 31.31 H new ATOM 0 HD12 LEU A 99 -5.231 1.877 2.339 1.00 31.31 H new ATOM 0 HD13 LEU A 99 -6.412 0.893 3.235 1.00 31.31 H new ATOM 0 HD21 LEU A 99 -5.299 -1.842 2.382 1.00 63.11 H new ATOM 0 HD22 LEU A 99 -7.026 -1.413 2.363 1.00 63.11 H new ATOM 0 HD23 LEU A 99 -6.244 -2.019 0.884 1.00 63.11 H new ATOM 1438 N ASP A 100 -9.134 0.802 -1.701 1.00 51.35 N ATOM 1439 CA ASP A 100 -10.525 0.657 -2.124 1.00 42.34 C ATOM 1440 C ASP A 100 -10.652 -0.009 -3.501 1.00 34.11 C ATOM 1441 O ASP A 100 -11.574 -0.790 -3.738 1.00 74.23 O ATOM 1442 CB ASP A 100 -11.168 2.037 -2.177 1.00 1.52 C ATOM 1443 CG ASP A 100 -12.684 1.941 -2.261 1.00 23.23 C ATOM 1444 OD1 ASP A 100 -13.318 1.867 -1.178 1.00 3.30 O ATOM 1445 OD2 ASP A 100 -13.248 2.017 -3.370 1.00 31.40 O ATOM 0 H ASP A 100 -8.787 1.759 -1.759 1.00 51.35 H new ATOM 0 HA ASP A 100 -11.028 0.014 -1.401 1.00 42.34 H new ATOM 0 HB2 ASP A 100 -10.887 2.605 -1.290 1.00 1.52 H new ATOM 0 HB3 ASP A 100 -10.788 2.584 -3.040 1.00 1.52 H new ATOM 1449 N GLN A 101 -9.702 0.246 -4.409 1.00 62.24 N ATOM 1450 CA GLN A 101 -9.646 -0.418 -5.714 1.00 42.15 C ATOM 1451 C GLN A 101 -9.329 -1.910 -5.558 1.00 23.40 C ATOM 1452 O GLN A 101 -9.567 -2.687 -6.477 1.00 12.15 O ATOM 1453 CB GLN A 101 -8.627 0.241 -6.666 1.00 11.40 C ATOM 1454 CG GLN A 101 -8.969 1.697 -7.026 1.00 60.04 C ATOM 1455 CD GLN A 101 -8.161 2.176 -8.241 1.00 71.14 C ATOM 1456 OE1 GLN A 101 -7.093 2.927 -8.011 1.00 74.31 O flip ATOM 1457 NE2 GLN A 101 -8.483 1.842 -9.386 1.00 13.04 N flip ATOM 0 H GLN A 101 -8.951 0.919 -4.258 1.00 62.24 H new ATOM 0 HA GLN A 101 -10.634 -0.308 -6.161 1.00 42.15 H new ATOM 0 HB2 GLN A 101 -7.640 0.212 -6.204 1.00 11.40 H new ATOM 0 HB3 GLN A 101 -8.567 -0.346 -7.582 1.00 11.40 H new ATOM 0 HG2 GLN A 101 -10.035 1.780 -7.239 1.00 60.04 H new ATOM 0 HG3 GLN A 101 -8.763 2.343 -6.172 1.00 60.04 H new ATOM 0 HE21 GLN A 101 -9.310 1.264 -9.535 1.00 13.04 H new ATOM 0 HE22 GLN A 101 -7.922 2.145 -10.182 1.00 13.04 H new ATOM 1464 N MET A 102 -8.827 -2.360 -4.406 1.00 12.14 N ATOM 1465 CA MET A 102 -8.529 -3.771 -4.156 1.00 23.02 C ATOM 1466 C MET A 102 -9.774 -4.574 -3.736 1.00 23.30 C ATOM 1467 O MET A 102 -9.637 -5.696 -3.264 1.00 51.44 O ATOM 1468 CB MET A 102 -7.369 -3.912 -3.155 1.00 15.33 C ATOM 1469 CG MET A 102 -6.089 -3.201 -3.616 1.00 40.23 C ATOM 1470 SD MET A 102 -4.737 -3.162 -2.407 1.00 74.02 S ATOM 1471 CE MET A 102 -4.414 -4.936 -2.255 1.00 55.44 C ATOM 0 H MET A 102 -8.615 -1.751 -3.616 1.00 12.14 H new ATOM 0 HA MET A 102 -8.205 -4.211 -5.099 1.00 23.02 H new ATOM 0 HB2 MET A 102 -7.677 -3.506 -2.191 1.00 15.33 H new ATOM 0 HB3 MET A 102 -7.155 -4.970 -3.002 1.00 15.33 H new ATOM 0 HG2 MET A 102 -5.729 -3.690 -4.521 1.00 40.23 H new ATOM 0 HG3 MET A 102 -6.341 -2.175 -3.886 1.00 40.23 H new ATOM 0 HE1 MET A 102 -3.362 -5.095 -2.018 1.00 55.44 H new ATOM 0 HE2 MET A 102 -5.032 -5.351 -1.459 1.00 55.44 H new ATOM 0 HE3 MET A 102 -4.653 -5.431 -3.196 1.00 55.44 H new ATOM 1479 N LYS A 103 -11.001 -4.065 -3.885 1.00 54.54 N ATOM 1480 CA LYS A 103 -12.225 -4.763 -3.456 1.00 24.14 C ATOM 1481 C LYS A 103 -12.556 -6.078 -4.202 1.00 5.43 C ATOM 1482 O LYS A 103 -13.583 -6.684 -3.897 1.00 14.41 O ATOM 1483 CB LYS A 103 -13.415 -3.784 -3.491 1.00 24.43 C ATOM 1484 CG LYS A 103 -13.504 -2.912 -2.227 1.00 65.02 C ATOM 1485 CD LYS A 103 -14.149 -3.657 -1.044 1.00 64.34 C ATOM 1486 CE LYS A 103 -14.090 -2.820 0.241 1.00 52.45 C ATOM 1487 NZ LYS A 103 -15.006 -1.659 0.225 1.00 3.13 N ATOM 0 H LYS A 103 -11.178 -3.154 -4.308 1.00 54.54 H new ATOM 0 HA LYS A 103 -12.027 -5.095 -2.437 1.00 24.14 H new ATOM 0 HB2 LYS A 103 -13.325 -3.140 -4.366 1.00 24.43 H new ATOM 0 HB3 LYS A 103 -14.341 -4.348 -3.604 1.00 24.43 H new ATOM 0 HG2 LYS A 103 -12.504 -2.584 -1.944 1.00 65.02 H new ATOM 0 HG3 LYS A 103 -14.083 -2.015 -2.448 1.00 65.02 H new ATOM 0 HD2 LYS A 103 -15.187 -3.891 -1.281 1.00 64.34 H new ATOM 0 HD3 LYS A 103 -13.637 -4.606 -0.886 1.00 64.34 H new ATOM 0 HE2 LYS A 103 -14.335 -3.456 1.092 1.00 52.45 H new ATOM 0 HE3 LYS A 103 -13.070 -2.467 0.390 1.00 52.45 H new ATOM 0 HZ1 LYS A 103 -14.919 -1.136 1.119 1.00 3.13 H new ATOM 0 HZ2 LYS A 103 -14.759 -1.033 -0.568 1.00 3.13 H new ATOM 0 HZ3 LYS A 103 -15.985 -1.991 0.112 1.00 3.13 H new ATOM 1497 N ASN A 104 -11.739 -6.546 -5.156 1.00 41.50 N ATOM 1498 CA ASN A 104 -11.860 -7.857 -5.792 1.00 53.40 C ATOM 1499 C ASN A 104 -10.508 -8.595 -5.760 1.00 0.14 C ATOM 1500 O ASN A 104 -10.182 -9.318 -6.700 1.00 3.55 O ATOM 1501 CB ASN A 104 -12.364 -7.708 -7.240 1.00 33.42 C ATOM 1502 CG ASN A 104 -13.727 -7.043 -7.374 1.00 30.41 C ATOM 1503 OD1 ASN A 104 -14.770 -7.680 -7.467 1.00 73.44 O ATOM 1504 ND2 ASN A 104 -13.728 -5.730 -7.429 1.00 61.34 N ATOM 0 H ASN A 104 -10.953 -6.003 -5.514 1.00 41.50 H new ATOM 0 HA ASN A 104 -12.587 -8.448 -5.236 1.00 53.40 H new ATOM 0 HB2 ASN A 104 -11.635 -7.128 -7.806 1.00 33.42 H new ATOM 0 HB3 ASN A 104 -12.410 -8.696 -7.698 1.00 33.42 H new ATOM 0 HD21 ASN A 104 -14.606 -5.225 -7.551 1.00 61.34 H new ATOM 0 HD22 ASN A 104 -12.851 -5.216 -7.350 1.00 61.34 H new ATOM 1510 N TYR A 105 -9.635 -8.319 -4.784 1.00 14.24 N ATOM 1511 CA TYR A 105 -8.283 -8.884 -4.727 1.00 13.23 C ATOM 1512 C TYR A 105 -8.296 -10.412 -4.508 1.00 72.34 C ATOM 1513 O TYR A 105 -9.237 -10.962 -3.934 1.00 43.21 O ATOM 1514 CB TYR A 105 -7.489 -8.170 -3.620 1.00 72.35 C ATOM 1515 CG TYR A 105 -7.727 -8.716 -2.220 1.00 32.31 C ATOM 1516 CD1 TYR A 105 -8.852 -8.356 -1.466 1.00 44.32 C ATOM 1517 CD2 TYR A 105 -6.822 -9.633 -1.681 1.00 75.43 C ATOM 1518 CE1 TYR A 105 -9.057 -8.883 -0.175 1.00 23.30 C ATOM 1519 CE2 TYR A 105 -7.000 -10.161 -0.391 1.00 11.13 C ATOM 1520 CZ TYR A 105 -8.118 -9.779 0.376 1.00 23.11 C ATOM 1521 OH TYR A 105 -8.280 -10.257 1.639 1.00 14.23 O ATOM 0 H TYR A 105 -9.849 -7.693 -4.007 1.00 14.24 H new ATOM 0 HA TYR A 105 -7.798 -8.720 -5.689 1.00 13.23 H new ATOM 0 HB2 TYR A 105 -6.426 -8.243 -3.849 1.00 72.35 H new ATOM 0 HB3 TYR A 105 -7.746 -7.111 -3.632 1.00 72.35 H new ATOM 0 HD1 TYR A 105 -9.572 -7.665 -1.880 1.00 44.32 H new ATOM 0 HD2 TYR A 105 -5.969 -9.942 -2.267 1.00 75.43 H new ATOM 0 HE1 TYR A 105 -9.932 -8.601 0.391 1.00 23.30 H new ATOM 0 HE2 TYR A 105 -6.281 -10.859 0.012 1.00 11.13 H new ATOM 0 HH TYR A 105 -7.684 -11.023 1.778 1.00 14.23 H new ATOM 1530 N ARG A 106 -7.240 -11.113 -4.936 1.00 53.34 N ATOM 1531 CA ARG A 106 -7.074 -12.570 -4.859 1.00 42.32 C ATOM 1532 C ARG A 106 -5.641 -12.910 -4.418 1.00 15.44 C ATOM 1533 O ARG A 106 -4.991 -13.748 -5.042 1.00 21.25 O ATOM 1534 CB ARG A 106 -7.384 -13.163 -6.251 1.00 32.21 C ATOM 1535 CG ARG A 106 -8.849 -13.025 -6.687 1.00 43.51 C ATOM 1536 CD ARG A 106 -9.716 -14.213 -6.231 1.00 21.44 C ATOM 1537 NE ARG A 106 -10.179 -15.030 -7.371 1.00 53.10 N ATOM 1538 CZ ARG A 106 -10.201 -16.362 -7.487 1.00 64.42 C ATOM 1539 NH1 ARG A 106 -9.782 -17.160 -6.513 1.00 53.14 N ATOM 1540 NH2 ARG A 106 -10.678 -16.931 -8.584 1.00 62.13 N ATOM 0 H ARG A 106 -6.436 -10.656 -5.368 1.00 53.34 H new ATOM 0 HA ARG A 106 -7.756 -12.997 -4.124 1.00 42.32 H new ATOM 0 HB2 ARG A 106 -6.750 -12.674 -6.990 1.00 32.21 H new ATOM 0 HB3 ARG A 106 -7.116 -14.219 -6.250 1.00 32.21 H new ATOM 0 HG2 ARG A 106 -9.260 -12.102 -6.279 1.00 43.51 H new ATOM 0 HG3 ARG A 106 -8.895 -12.942 -7.773 1.00 43.51 H new ATOM 0 HD2 ARG A 106 -9.143 -14.838 -5.546 1.00 21.44 H new ATOM 0 HD3 ARG A 106 -10.578 -13.841 -5.678 1.00 21.44 H new ATOM 0 HE ARG A 106 -10.528 -14.510 -8.176 1.00 53.10 H new ATOM 0 HH11 ARG A 106 -9.429 -16.761 -5.643 1.00 53.14 H new ATOM 0 HH12 ARG A 106 -9.813 -18.172 -6.634 1.00 53.14 H new ATOM 0 HH21 ARG A 106 -11.031 -16.353 -9.346 1.00 62.13 H new ATOM 0 HH22 ARG A 106 -10.692 -17.948 -8.666 1.00 62.13 H new ATOM 1551 N GLY A 107 -5.095 -12.210 -3.421 1.00 11.44 N ATOM 1552 CA GLY A 107 -3.674 -12.292 -3.113 1.00 71.41 C ATOM 1553 C GLY A 107 -3.318 -11.611 -1.799 1.00 42.32 C ATOM 1554 O GLY A 107 -4.121 -10.861 -1.257 1.00 55.35 O ATOM 0 H GLY A 107 -5.620 -11.580 -2.815 1.00 11.44 H new ATOM 0 HA2 GLY A 107 -3.376 -13.340 -3.067 1.00 71.41 H new ATOM 0 HA3 GLY A 107 -3.104 -11.834 -3.921 1.00 71.41 H new ATOM 1558 N GLU A 108 -2.108 -11.797 -1.291 1.00 21.02 N ATOM 1559 CA GLU A 108 -1.738 -11.284 0.023 1.00 74.41 C ATOM 1560 C GLU A 108 -1.277 -9.839 -0.123 1.00 3.33 C ATOM 1561 O GLU A 108 -0.713 -9.503 -1.169 1.00 2.23 O ATOM 1562 CB GLU A 108 -0.613 -12.144 0.600 1.00 11.53 C ATOM 1563 CG GLU A 108 -1.132 -13.497 1.108 1.00 20.31 C ATOM 1564 CD GLU A 108 -0.034 -14.317 1.783 1.00 71.15 C ATOM 1565 OE1 GLU A 108 1.035 -14.538 1.163 1.00 60.35 O ATOM 1566 OE2 GLU A 108 -0.222 -14.710 2.955 1.00 12.40 O ATOM 0 H GLU A 108 -1.362 -12.301 -1.770 1.00 21.02 H new ATOM 0 HA GLU A 108 -2.593 -11.321 0.698 1.00 74.41 H new ATOM 0 HB2 GLU A 108 0.146 -12.310 -0.164 1.00 11.53 H new ATOM 0 HB3 GLU A 108 -0.130 -11.610 1.418 1.00 11.53 H new ATOM 0 HG2 GLU A 108 -1.946 -13.331 1.814 1.00 20.31 H new ATOM 0 HG3 GLU A 108 -1.545 -14.063 0.273 1.00 20.31 H new ATOM 1571 N VAL A 109 -1.454 -9.009 0.912 1.00 24.44 N ATOM 1572 CA VAL A 109 -1.011 -7.616 0.862 1.00 42.43 C ATOM 1573 C VAL A 109 0.137 -7.372 1.848 1.00 75.45 C ATOM 1574 O VAL A 109 0.052 -7.704 3.037 1.00 71.52 O ATOM 1575 CB VAL A 109 -2.194 -6.645 1.067 1.00 13.23 C ATOM 1576 CG1 VAL A 109 -1.793 -5.242 0.584 1.00 64.13 C ATOM 1577 CG2 VAL A 109 -3.461 -7.068 0.303 1.00 53.45 C ATOM 0 H VAL A 109 -1.899 -9.279 1.789 1.00 24.44 H new ATOM 0 HA VAL A 109 -0.617 -7.414 -0.134 1.00 42.43 H new ATOM 0 HB VAL A 109 -2.424 -6.655 2.132 1.00 13.23 H new ATOM 0 HG11 VAL A 109 -2.627 -4.555 0.728 1.00 64.13 H new ATOM 0 HG12 VAL A 109 -0.933 -4.893 1.155 1.00 64.13 H new ATOM 0 HG13 VAL A 109 -1.534 -5.282 -0.474 1.00 64.13 H new ATOM 0 HG21 VAL A 109 -4.256 -6.345 0.488 1.00 53.45 H new ATOM 0 HG22 VAL A 109 -3.246 -7.106 -0.765 1.00 53.45 H new ATOM 0 HG23 VAL A 109 -3.780 -8.053 0.644 1.00 53.45 H new ATOM 1587 N ALA A 110 1.198 -6.738 1.350 1.00 41.23 N ATOM 1588 CA ALA A 110 2.374 -6.314 2.086 1.00 61.24 C ATOM 1589 C ALA A 110 2.664 -4.852 1.738 1.00 63.11 C ATOM 1590 O ALA A 110 2.272 -4.349 0.685 1.00 34.40 O ATOM 1591 CB ALA A 110 3.547 -7.242 1.743 1.00 42.34 C ATOM 0 H ALA A 110 1.256 -6.495 0.361 1.00 41.23 H new ATOM 0 HA ALA A 110 2.213 -6.379 3.162 1.00 61.24 H new ATOM 0 HB1 ALA A 110 4.433 -6.927 2.294 1.00 42.34 H new ATOM 0 HB2 ALA A 110 3.293 -8.266 2.018 1.00 42.34 H new ATOM 0 HB3 ALA A 110 3.749 -7.193 0.673 1.00 42.34 H new ATOM 1597 N SER A 111 3.368 -4.153 2.616 1.00 21.44 N ATOM 1598 CA SER A 111 3.679 -2.741 2.493 1.00 63.14 C ATOM 1599 C SER A 111 5.101 -2.467 2.983 1.00 52.35 C ATOM 1600 O SER A 111 5.486 -2.907 4.072 1.00 3.13 O ATOM 1601 CB SER A 111 2.602 -1.951 3.228 1.00 60.33 C ATOM 1602 OG SER A 111 2.357 -2.405 4.555 1.00 0.21 O ATOM 0 H SER A 111 3.751 -4.571 3.464 1.00 21.44 H new ATOM 0 HA SER A 111 3.668 -2.418 1.452 1.00 63.14 H new ATOM 0 HB2 SER A 111 2.895 -0.902 3.262 1.00 60.33 H new ATOM 0 HB3 SER A 111 1.674 -2.005 2.659 1.00 60.33 H new ATOM 0 HG SER A 111 1.408 -2.287 4.771 1.00 0.21 H new ATOM 1607 N PHE A 112 5.903 -1.807 2.151 1.00 15.40 N ATOM 1608 CA PHE A 112 7.332 -1.666 2.348 1.00 43.22 C ATOM 1609 C PHE A 112 7.698 -0.185 2.350 1.00 14.00 C ATOM 1610 O PHE A 112 7.603 0.510 1.334 1.00 31.23 O ATOM 1611 CB PHE A 112 8.121 -2.567 1.380 1.00 44.24 C ATOM 1612 CG PHE A 112 8.135 -2.225 -0.102 1.00 62.32 C ATOM 1613 CD1 PHE A 112 6.951 -2.236 -0.862 1.00 34.50 C ATOM 1614 CD2 PHE A 112 9.360 -2.016 -0.765 1.00 13.14 C ATOM 1615 CE1 PHE A 112 6.996 -1.962 -2.234 1.00 23.23 C ATOM 1616 CE2 PHE A 112 9.397 -1.763 -2.147 1.00 20.24 C ATOM 1617 CZ PHE A 112 8.210 -1.721 -2.888 1.00 0.31 C ATOM 0 H PHE A 112 5.564 -1.348 1.305 1.00 15.40 H new ATOM 0 HA PHE A 112 7.632 -2.036 3.328 1.00 43.22 H new ATOM 0 HB2 PHE A 112 9.156 -2.590 1.722 1.00 44.24 H new ATOM 0 HB3 PHE A 112 7.730 -3.579 1.480 1.00 44.24 H new ATOM 0 HD1 PHE A 112 6.007 -2.456 -0.386 1.00 34.50 H new ATOM 0 HD2 PHE A 112 10.282 -2.051 -0.204 1.00 13.14 H new ATOM 0 HE1 PHE A 112 6.076 -1.936 -2.799 1.00 23.23 H new ATOM 0 HE2 PHE A 112 10.345 -1.600 -2.639 1.00 20.24 H new ATOM 0 HZ PHE A 112 8.231 -1.506 -3.946 1.00 0.31 H new ATOM 1626 N PHE A 113 8.030 0.329 3.539 1.00 42.11 N ATOM 1627 CA PHE A 113 8.406 1.723 3.732 1.00 53.14 C ATOM 1628 C PHE A 113 9.919 1.876 3.562 1.00 20.23 C ATOM 1629 O PHE A 113 10.690 0.926 3.725 1.00 0.30 O ATOM 1630 CB PHE A 113 7.873 2.274 5.071 1.00 34.30 C ATOM 1631 CG PHE A 113 8.040 1.407 6.306 1.00 0.31 C ATOM 1632 CD1 PHE A 113 7.163 0.329 6.529 1.00 24.14 C ATOM 1633 CD2 PHE A 113 9.028 1.707 7.263 1.00 24.43 C ATOM 1634 CE1 PHE A 113 7.302 -0.468 7.673 1.00 43.13 C ATOM 1635 CE2 PHE A 113 9.171 0.898 8.402 1.00 35.51 C ATOM 1636 CZ PHE A 113 8.319 -0.201 8.598 1.00 73.32 C ATOM 0 H PHE A 113 8.044 -0.220 4.398 1.00 42.11 H new ATOM 0 HA PHE A 113 7.933 2.337 2.965 1.00 53.14 H new ATOM 0 HB2 PHE A 113 8.365 3.228 5.261 1.00 34.30 H new ATOM 0 HB3 PHE A 113 6.810 2.483 4.949 1.00 34.30 H new ATOM 0 HD1 PHE A 113 6.380 0.115 5.816 1.00 24.14 H new ATOM 0 HD2 PHE A 113 9.676 2.559 7.121 1.00 24.43 H new ATOM 0 HE1 PHE A 113 6.623 -1.291 7.842 1.00 43.13 H new ATOM 0 HE2 PHE A 113 9.938 1.122 9.129 1.00 35.51 H new ATOM 0 HZ PHE A 113 8.448 -0.839 9.460 1.00 73.32 H new ATOM 1645 N THR A 114 10.335 3.092 3.231 1.00 73.12 N ATOM 1646 CA THR A 114 11.668 3.509 2.823 1.00 64.35 C ATOM 1647 C THR A 114 12.174 4.629 3.743 1.00 60.51 C ATOM 1648 O THR A 114 13.092 5.370 3.389 1.00 23.14 O ATOM 1649 CB THR A 114 11.608 3.945 1.341 1.00 13.13 C ATOM 1650 OG1 THR A 114 10.552 4.870 1.103 1.00 31.51 O ATOM 1651 CG2 THR A 114 11.395 2.752 0.404 1.00 11.12 C ATOM 0 H THR A 114 9.689 3.881 3.243 1.00 73.12 H new ATOM 0 HA THR A 114 12.378 2.686 2.913 1.00 64.35 H new ATOM 0 HB THR A 114 12.570 4.415 1.136 1.00 13.13 H new ATOM 0 HG1 THR A 114 10.547 5.124 0.156 1.00 31.51 H new ATOM 0 HG21 THR A 114 11.359 3.102 -0.628 1.00 11.12 H new ATOM 0 HG22 THR A 114 12.218 2.047 0.520 1.00 11.12 H new ATOM 0 HG23 THR A 114 10.456 2.257 0.653 1.00 11.12 H new ATOM 1659 N SER A 115 11.544 4.839 4.897 1.00 23.32 N ATOM 1660 CA SER A 115 11.850 5.880 5.854 1.00 22.43 C ATOM 1661 C SER A 115 11.232 5.445 7.180 1.00 24.33 C ATOM 1662 O SER A 115 10.062 5.052 7.199 1.00 20.50 O ATOM 1663 CB SER A 115 11.203 7.178 5.376 1.00 43.03 C ATOM 1664 OG SER A 115 11.668 7.567 4.095 1.00 3.01 O ATOM 0 H SER A 115 10.766 4.252 5.198 1.00 23.32 H new ATOM 0 HA SER A 115 12.923 6.039 5.963 1.00 22.43 H new ATOM 0 HB2 SER A 115 10.121 7.053 5.345 1.00 43.03 H new ATOM 0 HB3 SER A 115 11.412 7.972 6.093 1.00 43.03 H new ATOM 0 HG SER A 115 11.228 8.401 3.826 1.00 3.01 H new ATOM 1669 N ALA A 116 11.999 5.473 8.276 1.00 12.32 N ATOM 1670 CA ALA A 116 11.593 4.869 9.543 1.00 2.33 C ATOM 1671 C ALA A 116 12.096 5.606 10.793 1.00 0.11 C ATOM 1672 O ALA A 116 11.550 5.363 11.863 1.00 20.21 O ATOM 1673 CB ALA A 116 12.104 3.423 9.564 1.00 51.03 C ATOM 0 H ALA A 116 12.917 5.916 8.306 1.00 12.32 H new ATOM 0 HA ALA A 116 10.505 4.926 9.589 1.00 2.33 H new ATOM 0 HB1 ALA A 116 11.814 2.948 10.501 1.00 51.03 H new ATOM 0 HB2 ALA A 116 11.671 2.872 8.729 1.00 51.03 H new ATOM 0 HB3 ALA A 116 13.191 3.420 9.477 1.00 51.03 H new ATOM 1679 N GLY A 117 13.088 6.496 10.683 1.00 62.15 N ATOM 1680 CA GLY A 117 14.012 6.835 11.776 1.00 44.23 C ATOM 1681 C GLY A 117 13.360 7.031 13.144 1.00 23.42 C ATOM 1682 O GLY A 117 13.458 6.154 14.010 1.00 14.44 O ATOM 0 H GLY A 117 13.276 7.009 9.822 1.00 62.15 H new ATOM 0 HA2 GLY A 117 14.758 6.045 11.857 1.00 44.23 H new ATOM 0 HA3 GLY A 117 14.543 7.749 11.511 1.00 44.23 H new ATOM 1686 N THR A 118 12.656 8.145 13.349 1.00 62.33 N ATOM 1687 CA THR A 118 11.969 8.442 14.607 1.00 72.51 C ATOM 1688 C THR A 118 10.524 7.921 14.632 1.00 60.12 C ATOM 1689 O THR A 118 9.837 8.073 15.648 1.00 44.33 O ATOM 1690 CB THR A 118 12.025 9.959 14.888 1.00 0.21 C ATOM 1691 OG1 THR A 118 11.895 10.738 13.709 1.00 63.25 O ATOM 1692 CG2 THR A 118 13.355 10.337 15.541 1.00 33.22 C ATOM 0 H THR A 118 12.546 8.872 12.642 1.00 62.33 H new ATOM 0 HA THR A 118 12.492 7.912 15.403 1.00 72.51 H new ATOM 0 HB THR A 118 11.186 10.170 15.551 1.00 0.21 H new ATOM 0 HG1 THR A 118 11.935 11.690 13.940 1.00 63.25 H new ATOM 0 HG21 THR A 118 13.375 11.410 15.731 1.00 33.22 H new ATOM 0 HG22 THR A 118 13.464 9.800 16.483 1.00 33.22 H new ATOM 0 HG23 THR A 118 14.176 10.071 14.875 1.00 33.22 H new ATOM 1700 N ASN A 119 10.029 7.313 13.547 1.00 60.15 N ATOM 1701 CA ASN A 119 8.610 7.018 13.376 1.00 54.33 C ATOM 1702 C ASN A 119 8.454 5.714 12.594 1.00 73.41 C ATOM 1703 O ASN A 119 7.927 5.681 11.481 1.00 21.32 O ATOM 1704 CB ASN A 119 7.896 8.238 12.747 1.00 60.32 C ATOM 1705 CG ASN A 119 6.954 8.911 13.724 1.00 75.21 C ATOM 1706 OD1 ASN A 119 5.890 8.235 14.109 1.00 2.10 O flip ATOM 1707 ND2 ASN A 119 7.153 10.057 14.109 1.00 15.02 N flip ATOM 0 H ASN A 119 10.608 7.013 12.763 1.00 60.15 H new ATOM 0 HA ASN A 119 8.120 6.853 14.336 1.00 54.33 H new ATOM 0 HB2 ASN A 119 8.640 8.958 12.407 1.00 60.32 H new ATOM 0 HB3 ASN A 119 7.338 7.917 11.868 1.00 60.32 H new ATOM 0 HD21 ASN A 119 7.983 10.562 13.799 1.00 15.02 H new ATOM 0 HD22 ASN A 119 6.489 10.506 14.740 1.00 15.02 H new ATOM 1713 N HIS A 120 8.905 4.619 13.200 1.00 4.42 N ATOM 1714 CA HIS A 120 8.804 3.272 12.663 1.00 44.34 C ATOM 1715 C HIS A 120 7.540 2.622 13.225 1.00 0.11 C ATOM 1716 O HIS A 120 6.597 2.370 12.476 1.00 73.24 O ATOM 1717 CB HIS A 120 10.082 2.488 13.007 1.00 2.30 C ATOM 1718 CG HIS A 120 10.133 1.039 12.593 1.00 71.45 C ATOM 1719 ND1 HIS A 120 11.093 0.151 13.020 1.00 64.21 N ATOM 1720 CD2 HIS A 120 9.275 0.359 11.770 1.00 4.44 C ATOM 1721 CE1 HIS A 120 10.812 -1.050 12.488 1.00 75.53 C ATOM 1722 NE2 HIS A 120 9.699 -0.977 11.740 1.00 60.14 N ATOM 0 H HIS A 120 9.366 4.650 14.109 1.00 4.42 H new ATOM 0 HA HIS A 120 8.721 3.281 11.576 1.00 44.34 H new ATOM 0 HB2 HIS A 120 10.927 3.001 12.547 1.00 2.30 H new ATOM 0 HB3 HIS A 120 10.228 2.537 14.086 1.00 2.30 H new ATOM 0 HD2 HIS A 120 8.429 0.775 11.242 1.00 4.44 H new ATOM 0 HE1 HIS A 120 11.397 -1.945 12.640 1.00 75.53 H new ATOM 0 HE2 HIS A 120 9.248 -1.746 11.245 1.00 60.14 H new ATOM 1729 N LYS A 121 7.486 2.359 14.538 1.00 74.41 N ATOM 1730 CA LYS A 121 6.390 1.569 15.109 1.00 3.01 C ATOM 1731 C LYS A 121 5.029 2.234 14.908 1.00 52.02 C ATOM 1732 O LYS A 121 4.058 1.511 14.685 1.00 41.33 O ATOM 1733 CB LYS A 121 6.609 1.258 16.599 1.00 55.02 C ATOM 1734 CG LYS A 121 7.756 0.269 16.883 1.00 71.23 C ATOM 1735 CD LYS A 121 7.595 -0.305 18.301 1.00 52.13 C ATOM 1736 CE LYS A 121 8.797 -1.105 18.824 1.00 14.21 C ATOM 1737 NZ LYS A 121 8.919 -2.444 18.207 1.00 73.11 N ATOM 0 H LYS A 121 8.179 2.677 15.216 1.00 74.41 H new ATOM 0 HA LYS A 121 6.391 0.626 14.562 1.00 3.01 H new ATOM 0 HB2 LYS A 121 6.811 2.190 17.126 1.00 55.02 H new ATOM 0 HB3 LYS A 121 5.686 0.852 17.012 1.00 55.02 H new ATOM 0 HG2 LYS A 121 7.746 -0.537 16.149 1.00 71.23 H new ATOM 0 HG3 LYS A 121 8.718 0.774 16.790 1.00 71.23 H new ATOM 0 HD2 LYS A 121 7.400 0.518 18.989 1.00 52.13 H new ATOM 0 HD3 LYS A 121 6.716 -0.949 18.317 1.00 52.13 H new ATOM 0 HE2 LYS A 121 9.710 -0.541 18.636 1.00 14.21 H new ATOM 0 HE3 LYS A 121 8.708 -1.217 19.905 1.00 14.21 H new ATOM 0 HZ1 LYS A 121 9.748 -2.933 18.601 1.00 73.11 H new ATOM 0 HZ2 LYS A 121 8.062 -2.998 18.408 1.00 73.11 H new ATOM 0 HZ3 LYS A 121 9.033 -2.343 17.178 1.00 73.11 H new ATOM 1747 N ALA A 122 4.938 3.571 14.956 1.00 22.10 N ATOM 1748 CA ALA A 122 3.666 4.267 14.775 1.00 32.20 C ATOM 1749 C ALA A 122 3.032 3.888 13.430 1.00 0.00 C ATOM 1750 O ALA A 122 1.848 3.575 13.385 1.00 40.31 O ATOM 1751 CB ALA A 122 3.850 5.787 14.920 1.00 20.22 C ATOM 0 H ALA A 122 5.734 4.188 15.119 1.00 22.10 H new ATOM 0 HA ALA A 122 2.978 3.951 15.560 1.00 32.20 H new ATOM 0 HB1 ALA A 122 2.890 6.285 14.781 1.00 20.22 H new ATOM 0 HB2 ALA A 122 4.236 6.014 15.914 1.00 20.22 H new ATOM 0 HB3 ALA A 122 4.554 6.142 14.168 1.00 20.22 H new ATOM 1757 N TYR A 123 3.828 3.854 12.354 1.00 20.32 N ATOM 1758 CA TYR A 123 3.366 3.583 10.997 1.00 15.31 C ATOM 1759 C TYR A 123 2.598 2.269 10.903 1.00 75.11 C ATOM 1760 O TYR A 123 1.557 2.217 10.249 1.00 31.24 O ATOM 1761 CB TYR A 123 4.557 3.543 10.032 1.00 53.02 C ATOM 1762 CG TYR A 123 4.126 3.322 8.600 1.00 14.14 C ATOM 1763 CD1 TYR A 123 3.666 4.405 7.829 1.00 12.22 C ATOM 1764 CD2 TYR A 123 4.115 2.020 8.065 1.00 55.42 C ATOM 1765 CE1 TYR A 123 3.215 4.192 6.517 1.00 64.42 C ATOM 1766 CE2 TYR A 123 3.599 1.796 6.779 1.00 60.35 C ATOM 1767 CZ TYR A 123 3.132 2.882 6.005 1.00 75.23 C ATOM 1768 OH TYR A 123 2.583 2.684 4.779 1.00 64.24 O ATOM 0 H TYR A 123 4.833 4.019 12.410 1.00 20.32 H new ATOM 0 HA TYR A 123 2.688 4.391 10.722 1.00 15.31 H new ATOM 0 HB2 TYR A 123 5.111 4.479 10.102 1.00 53.02 H new ATOM 0 HB3 TYR A 123 5.238 2.746 10.331 1.00 53.02 H new ATOM 0 HD1 TYR A 123 3.660 5.401 8.247 1.00 12.22 H new ATOM 0 HD2 TYR A 123 4.503 1.195 8.643 1.00 55.42 H new ATOM 0 HE1 TYR A 123 2.932 5.032 5.900 1.00 64.42 H new ATOM 0 HE2 TYR A 123 3.559 0.793 6.381 1.00 60.35 H new ATOM 0 HH TYR A 123 2.598 1.728 4.564 1.00 64.24 H new ATOM 1777 N VAL A 124 3.112 1.219 11.549 1.00 71.13 N ATOM 1778 CA VAL A 124 2.516 -0.111 11.551 1.00 33.31 C ATOM 1779 C VAL A 124 1.066 0.001 12.007 1.00 53.44 C ATOM 1780 O VAL A 124 0.153 -0.495 11.349 1.00 32.24 O ATOM 1781 CB VAL A 124 3.323 -1.041 12.481 1.00 53.35 C ATOM 1782 CG1 VAL A 124 2.774 -2.474 12.465 1.00 74.23 C ATOM 1783 CG2 VAL A 124 4.812 -1.085 12.090 1.00 41.25 C ATOM 0 H VAL A 124 3.972 1.275 12.095 1.00 71.13 H new ATOM 0 HA VAL A 124 2.538 -0.538 10.548 1.00 33.31 H new ATOM 0 HB VAL A 124 3.223 -0.625 13.484 1.00 53.35 H new ATOM 0 HG11 VAL A 124 3.368 -3.099 13.132 1.00 74.23 H new ATOM 0 HG12 VAL A 124 1.737 -2.470 12.800 1.00 74.23 H new ATOM 0 HG13 VAL A 124 2.827 -2.872 11.452 1.00 74.23 H new ATOM 0 HG21 VAL A 124 5.347 -1.750 12.768 1.00 41.25 H new ATOM 0 HG22 VAL A 124 4.909 -1.453 11.069 1.00 41.25 H new ATOM 0 HG23 VAL A 124 5.235 -0.083 12.156 1.00 41.25 H new ATOM 1793 N SER A 125 0.865 0.654 13.145 1.00 23.33 N ATOM 1794 CA SER A 125 -0.413 0.788 13.791 1.00 0.50 C ATOM 1795 C SER A 125 -1.313 1.675 12.924 1.00 61.41 C ATOM 1796 O SER A 125 -2.419 1.262 12.587 1.00 32.03 O ATOM 1797 CB SER A 125 -0.136 1.431 15.143 1.00 61.43 C ATOM 1798 OG SER A 125 0.252 0.470 16.104 1.00 64.05 O ATOM 0 H SER A 125 1.620 1.117 13.652 1.00 23.33 H new ATOM 0 HA SER A 125 -0.921 -0.167 13.924 1.00 0.50 H new ATOM 0 HB2 SER A 125 0.650 2.179 15.037 1.00 61.43 H new ATOM 0 HB3 SER A 125 -1.028 1.953 15.489 1.00 61.43 H new ATOM 0 HG SER A 125 0.424 0.915 16.960 1.00 64.05 H new ATOM 1803 N HIS A 126 -0.820 2.852 12.510 1.00 53.41 N ATOM 1804 CA HIS A 126 -1.539 3.800 11.660 1.00 74.22 C ATOM 1805 C HIS A 126 -2.101 3.106 10.419 1.00 43.41 C ATOM 1806 O HIS A 126 -3.266 3.285 10.072 1.00 2.54 O ATOM 1807 CB HIS A 126 -0.603 4.928 11.206 1.00 0.20 C ATOM 1808 CG HIS A 126 -0.041 5.803 12.297 1.00 42.11 C ATOM 1809 ND1 HIS A 126 1.091 6.572 12.170 1.00 23.54 N ATOM 1810 CD2 HIS A 126 -0.576 6.039 13.538 1.00 22.21 C ATOM 1811 CE1 HIS A 126 1.231 7.257 13.312 1.00 35.21 C ATOM 1812 NE2 HIS A 126 0.253 6.966 14.183 1.00 15.31 N ATOM 0 H HIS A 126 0.113 3.174 12.766 1.00 53.41 H new ATOM 0 HA HIS A 126 -2.360 4.210 12.248 1.00 74.22 H new ATOM 0 HB2 HIS A 126 0.229 4.484 10.659 1.00 0.20 H new ATOM 0 HB3 HIS A 126 -1.145 5.561 10.503 1.00 0.20 H new ATOM 0 HD1 HIS A 126 1.708 6.613 11.359 1.00 23.54 H new ATOM 0 HD2 HIS A 126 -1.472 5.592 13.943 1.00 22.21 H new ATOM 0 HE1 HIS A 126 2.031 7.956 13.507 1.00 35.21 H new ATOM 1819 N PHE A 127 -1.262 2.324 9.734 1.00 63.02 N ATOM 1820 CA PHE A 127 -1.648 1.611 8.531 1.00 75.34 C ATOM 1821 C PHE A 127 -2.733 0.586 8.819 1.00 24.12 C ATOM 1822 O PHE A 127 -3.651 0.490 8.017 1.00 12.43 O ATOM 1823 CB PHE A 127 -0.440 0.921 7.903 1.00 64.53 C ATOM 1824 CG PHE A 127 -0.799 0.027 6.731 1.00 23.21 C ATOM 1825 CD1 PHE A 127 -1.417 0.556 5.579 1.00 14.44 C ATOM 1826 CD2 PHE A 127 -0.480 -1.342 6.778 1.00 34.52 C ATOM 1827 CE1 PHE A 127 -1.633 -0.267 4.456 1.00 32.52 C ATOM 1828 CE2 PHE A 127 -0.707 -2.163 5.662 1.00 63.42 C ATOM 1829 CZ PHE A 127 -1.267 -1.622 4.497 1.00 24.21 C ATOM 0 H PHE A 127 -0.291 2.172 10.007 1.00 63.02 H new ATOM 0 HA PHE A 127 -2.045 2.345 7.829 1.00 75.34 H new ATOM 0 HB2 PHE A 127 0.269 1.679 7.569 1.00 64.53 H new ATOM 0 HB3 PHE A 127 0.065 0.325 8.663 1.00 64.53 H new ATOM 0 HD1 PHE A 127 -1.724 1.591 5.558 1.00 14.44 H new ATOM 0 HD2 PHE A 127 -0.058 -1.764 7.678 1.00 34.52 H new ATOM 0 HE1 PHE A 127 -2.080 0.145 3.563 1.00 32.52 H new ATOM 0 HE2 PHE A 127 -0.450 -3.211 5.701 1.00 63.42 H new ATOM 0 HZ PHE A 127 -1.417 -2.248 3.630 1.00 24.21 H new ATOM 1838 N ASN A 128 -2.645 -0.155 9.930 1.00 71.45 N ATOM 1839 CA ASN A 128 -3.650 -1.164 10.260 1.00 11.11 C ATOM 1840 C ASN A 128 -5.026 -0.516 10.306 1.00 40.14 C ATOM 1841 O ASN A 128 -5.929 -1.008 9.636 1.00 52.32 O ATOM 1842 CB ASN A 128 -3.325 -1.919 11.558 1.00 1.20 C ATOM 1843 CG ASN A 128 -2.457 -3.133 11.260 1.00 51.51 C ATOM 1844 OD1 ASN A 128 -2.952 -4.213 10.970 1.00 33.21 O ATOM 1845 ND2 ASN A 128 -1.145 -2.976 11.262 1.00 62.14 N ATOM 0 H ASN A 128 -1.890 -0.073 10.611 1.00 71.45 H new ATOM 0 HA ASN A 128 -3.644 -1.920 9.474 1.00 11.11 H new ATOM 0 HB2 ASN A 128 -2.809 -1.256 12.253 1.00 1.20 H new ATOM 0 HB3 ASN A 128 -4.248 -2.234 12.044 1.00 1.20 H new ATOM 0 HD21 ASN A 128 -0.537 -3.759 11.020 1.00 62.14 H new ATOM 0 HD22 ASN A 128 -0.740 -2.072 11.505 1.00 62.14 H new ATOM 1851 N GLU A 129 -5.167 0.628 10.986 1.00 41.22 N ATOM 1852 CA GLU A 129 -6.431 1.357 11.010 1.00 22.01 C ATOM 1853 C GLU A 129 -6.868 1.769 9.608 1.00 2.14 C ATOM 1854 O GLU A 129 -8.047 1.735 9.250 1.00 25.44 O ATOM 1855 CB GLU A 129 -6.332 2.630 11.849 1.00 50.52 C ATOM 1856 CG GLU A 129 -5.654 2.521 13.210 1.00 11.21 C ATOM 1857 CD GLU A 129 -6.177 1.470 14.190 1.00 5.23 C ATOM 1858 OE1 GLU A 129 -7.105 0.683 13.897 1.00 2.33 O ATOM 1859 OE2 GLU A 129 -5.665 1.499 15.331 1.00 45.44 O ATOM 0 H GLU A 129 -4.419 1.065 11.525 1.00 41.22 H new ATOM 0 HA GLU A 129 -7.160 0.674 11.447 1.00 22.01 H new ATOM 0 HB2 GLU A 129 -5.796 3.378 11.265 1.00 50.52 H new ATOM 0 HB3 GLU A 129 -7.342 3.010 12.005 1.00 50.52 H new ATOM 0 HG2 GLU A 129 -4.596 2.323 13.041 1.00 11.21 H new ATOM 0 HG3 GLU A 129 -5.722 3.494 13.696 1.00 11.21 H new ATOM 1864 N TRP A 130 -5.910 2.220 8.800 1.00 33.04 N ATOM 1865 CA TRP A 130 -6.196 2.761 7.492 1.00 54.52 C ATOM 1866 C TRP A 130 -6.518 1.645 6.490 1.00 24.30 C ATOM 1867 O TRP A 130 -7.111 1.952 5.460 1.00 52.11 O ATOM 1868 CB TRP A 130 -5.063 3.716 7.084 1.00 41.45 C ATOM 1869 CG TRP A 130 -4.979 4.994 7.891 1.00 42.24 C ATOM 1870 CD1 TRP A 130 -5.759 5.324 8.952 1.00 44.24 C ATOM 1871 CD2 TRP A 130 -4.118 6.158 7.686 1.00 12.41 C ATOM 1872 NE1 TRP A 130 -5.463 6.597 9.384 1.00 60.34 N ATOM 1873 CE2 TRP A 130 -4.523 7.190 8.584 1.00 74.43 C ATOM 1874 CE3 TRP A 130 -3.052 6.467 6.818 1.00 34.32 C ATOM 1875 CZ2 TRP A 130 -3.998 8.488 8.544 1.00 15.41 C ATOM 1876 CZ3 TRP A 130 -2.500 7.763 6.780 1.00 33.52 C ATOM 1877 CH2 TRP A 130 -2.999 8.785 7.610 1.00 13.31 C ATOM 0 H TRP A 130 -4.919 2.217 9.042 1.00 33.04 H new ATOM 0 HA TRP A 130 -7.104 3.363 7.508 1.00 54.52 H new ATOM 0 HB2 TRP A 130 -4.114 3.187 7.170 1.00 41.45 H new ATOM 0 HB3 TRP A 130 -5.189 3.976 6.033 1.00 41.45 H new ATOM 0 HD1 TRP A 130 -6.505 4.680 9.394 1.00 44.24 H new ATOM 0 HE1 TRP A 130 -5.890 7.042 10.197 1.00 60.34 H new ATOM 0 HE3 TRP A 130 -2.652 5.699 6.172 1.00 34.32 H new ATOM 0 HZ2 TRP A 130 -4.358 9.247 9.223 1.00 15.41 H new ATOM 0 HZ3 TRP A 130 -1.684 7.975 6.105 1.00 33.52 H new ATOM 0 HH2 TRP A 130 -2.614 9.790 7.527 1.00 13.31 H new ATOM 1887 N ALA A 131 -6.252 0.372 6.814 1.00 12.43 N ATOM 1888 CA ALA A 131 -6.282 -0.752 5.877 1.00 62.32 C ATOM 1889 C ALA A 131 -7.241 -1.877 6.279 1.00 2.54 C ATOM 1890 O ALA A 131 -7.379 -2.823 5.501 1.00 61.33 O ATOM 1891 CB ALA A 131 -4.861 -1.307 5.717 1.00 74.03 C ATOM 0 H ALA A 131 -6.003 0.091 7.763 1.00 12.43 H new ATOM 0 HA ALA A 131 -6.662 -0.363 4.932 1.00 62.32 H new ATOM 0 HB1 ALA A 131 -4.874 -2.145 5.020 1.00 74.03 H new ATOM 0 HB2 ALA A 131 -4.206 -0.525 5.332 1.00 74.03 H new ATOM 0 HB3 ALA A 131 -4.491 -1.646 6.685 1.00 74.03 H new ATOM 1897 N ASP A 132 -7.908 -1.751 7.428 1.00 52.43 N ATOM 1898 CA ASP A 132 -8.580 -2.743 8.288 1.00 2.34 C ATOM 1899 C ASP A 132 -9.720 -3.576 7.662 1.00 52.31 C ATOM 1900 O ASP A 132 -10.829 -3.688 8.196 1.00 74.25 O ATOM 1901 CB ASP A 132 -9.092 -1.981 9.521 1.00 63.14 C ATOM 1902 CG ASP A 132 -9.199 -2.849 10.776 1.00 10.43 C ATOM 1903 OD1 ASP A 132 -8.747 -4.011 10.779 1.00 65.11 O ATOM 1904 OD2 ASP A 132 -9.622 -2.303 11.828 1.00 4.41 O ATOM 0 H ASP A 132 -8.005 -0.822 7.838 1.00 52.43 H new ATOM 0 HA ASP A 132 -7.834 -3.505 8.514 1.00 2.34 H new ATOM 0 HB2 ASP A 132 -8.424 -1.144 9.724 1.00 63.14 H new ATOM 0 HB3 ASP A 132 -10.072 -1.559 9.296 1.00 63.14 H new ATOM 1908 N GLY A 133 -9.480 -4.156 6.493 1.00 64.41 N ATOM 1909 CA GLY A 133 -10.449 -4.934 5.739 1.00 63.43 C ATOM 1910 C GLY A 133 -9.876 -5.668 4.528 1.00 2.13 C ATOM 1911 O GLY A 133 -10.603 -6.441 3.911 1.00 63.21 O ATOM 0 H GLY A 133 -8.573 -4.094 6.030 1.00 64.41 H new ATOM 0 HA2 GLY A 133 -10.906 -5.664 6.406 1.00 63.43 H new ATOM 0 HA3 GLY A 133 -11.244 -4.269 5.401 1.00 63.43 H new ATOM 1915 N LEU A 134 -8.620 -5.445 4.131 1.00 24.14 N ATOM 1916 CA LEU A 134 -7.894 -6.302 3.201 1.00 43.54 C ATOM 1917 C LEU A 134 -6.885 -7.115 4.018 1.00 12.42 C ATOM 1918 O LEU A 134 -6.445 -6.640 5.066 1.00 21.13 O ATOM 1919 CB LEU A 134 -7.157 -5.384 2.225 1.00 51.43 C ATOM 1920 CG LEU A 134 -8.007 -4.621 1.193 1.00 64.01 C ATOM 1921 CD1 LEU A 134 -8.289 -5.466 -0.047 1.00 11.50 C ATOM 1922 CD2 LEU A 134 -9.345 -4.025 1.627 1.00 43.42 C ATOM 0 H LEU A 134 -8.073 -4.648 4.455 1.00 24.14 H new ATOM 0 HA LEU A 134 -8.553 -6.976 2.654 1.00 43.54 H new ATOM 0 HB2 LEU A 134 -6.597 -4.652 2.808 1.00 51.43 H new ATOM 0 HB3 LEU A 134 -6.427 -5.985 1.682 1.00 51.43 H new ATOM 0 HG LEU A 134 -7.351 -3.770 1.009 1.00 64.01 H new ATOM 0 HD11 LEU A 134 -8.891 -4.891 -0.750 1.00 11.50 H new ATOM 0 HD12 LEU A 134 -7.347 -5.745 -0.519 1.00 11.50 H new ATOM 0 HD13 LEU A 134 -8.830 -6.367 0.242 1.00 11.50 H new ATOM 0 HD21 LEU A 134 -9.812 -3.523 0.779 1.00 43.42 H new ATOM 0 HD22 LEU A 134 -9.999 -4.821 1.983 1.00 43.42 H new ATOM 0 HD23 LEU A 134 -9.180 -3.305 2.429 1.00 43.42 H new ATOM 1933 N ASN A 135 -6.489 -8.303 3.553 1.00 63.22 N ATOM 1934 CA ASN A 135 -5.535 -9.174 4.252 1.00 3.30 C ATOM 1935 C ASN A 135 -4.120 -8.596 4.228 1.00 52.35 C ATOM 1936 O ASN A 135 -3.425 -8.723 3.218 1.00 64.14 O ATOM 1937 CB ASN A 135 -5.498 -10.557 3.598 1.00 23.34 C ATOM 1938 CG ASN A 135 -4.471 -11.466 4.268 1.00 55.15 C ATOM 1939 OD1 ASN A 135 -4.552 -11.759 5.459 1.00 22.01 O ATOM 1940 ND2 ASN A 135 -3.490 -11.928 3.520 1.00 44.15 N ATOM 0 H ASN A 135 -6.824 -8.693 2.672 1.00 63.22 H new ATOM 0 HA ASN A 135 -5.873 -9.250 5.286 1.00 3.30 H new ATOM 0 HB2 ASN A 135 -6.485 -11.015 3.658 1.00 23.34 H new ATOM 0 HB3 ASN A 135 -5.258 -10.454 2.540 1.00 23.34 H new ATOM 0 HD21 ASN A 135 -2.782 -12.539 3.927 1.00 44.15 H new ATOM 0 HD22 ASN A 135 -3.438 -11.675 2.533 1.00 44.15 H new ATOM 1946 N VAL A 136 -3.677 -7.972 5.316 1.00 21.22 N ATOM 1947 CA VAL A 136 -2.279 -7.592 5.475 1.00 53.21 C ATOM 1948 C VAL A 136 -1.521 -8.787 6.051 1.00 35.20 C ATOM 1949 O VAL A 136 -1.975 -9.395 7.023 1.00 14.44 O ATOM 1950 CB VAL A 136 -2.151 -6.363 6.409 1.00 43.51 C ATOM 1951 CG1 VAL A 136 -0.688 -5.938 6.621 1.00 71.12 C ATOM 1952 CG2 VAL A 136 -2.917 -5.146 5.870 1.00 61.05 C ATOM 0 H VAL A 136 -4.272 -7.718 6.105 1.00 21.22 H new ATOM 0 HA VAL A 136 -1.857 -7.315 4.509 1.00 53.21 H new ATOM 0 HB VAL A 136 -2.581 -6.683 7.358 1.00 43.51 H new ATOM 0 HG11 VAL A 136 -0.653 -5.073 7.283 1.00 71.12 H new ATOM 0 HG12 VAL A 136 -0.131 -6.761 7.070 1.00 71.12 H new ATOM 0 HG13 VAL A 136 -0.242 -5.679 5.661 1.00 71.12 H new ATOM 0 HG21 VAL A 136 -2.799 -4.308 6.557 1.00 61.05 H new ATOM 0 HG22 VAL A 136 -2.522 -4.871 4.892 1.00 61.05 H new ATOM 0 HG23 VAL A 136 -3.975 -5.393 5.778 1.00 61.05 H new ATOM 1962 N ILE A 137 -0.330 -9.076 5.524 1.00 23.34 N ATOM 1963 CA ILE A 137 0.647 -9.986 6.133 1.00 44.43 C ATOM 1964 C ILE A 137 2.046 -9.365 6.244 1.00 55.44 C ATOM 1965 O ILE A 137 2.950 -10.004 6.788 1.00 22.42 O ATOM 1966 CB ILE A 137 0.641 -11.371 5.442 1.00 73.42 C ATOM 1967 CG1 ILE A 137 0.976 -11.359 3.938 1.00 64.45 C ATOM 1968 CG2 ILE A 137 -0.728 -12.043 5.615 1.00 42.54 C ATOM 1969 CD1 ILE A 137 2.465 -11.267 3.623 1.00 33.12 C ATOM 0 H ILE A 137 -0.009 -8.676 4.642 1.00 23.34 H new ATOM 0 HA ILE A 137 0.331 -10.156 7.162 1.00 44.43 H new ATOM 0 HB ILE A 137 1.439 -11.924 5.938 1.00 73.42 H new ATOM 0 HG12 ILE A 137 0.576 -12.265 3.482 1.00 64.45 H new ATOM 0 HG13 ILE A 137 0.466 -10.516 3.472 1.00 64.45 H new ATOM 0 HG21 ILE A 137 -0.720 -13.016 5.125 1.00 42.54 H new ATOM 0 HG22 ILE A 137 -0.938 -12.173 6.677 1.00 42.54 H new ATOM 0 HG23 ILE A 137 -1.500 -11.417 5.167 1.00 42.54 H new ATOM 0 HD11 ILE A 137 2.609 -11.265 2.543 1.00 33.12 H new ATOM 0 HD12 ILE A 137 2.870 -10.347 4.045 1.00 33.12 H new ATOM 0 HD13 ILE A 137 2.982 -12.123 4.056 1.00 33.12 H new ATOM 1980 N GLY A 138 2.243 -8.122 5.787 1.00 22.53 N ATOM 1981 CA GLY A 138 3.537 -7.459 5.840 1.00 63.11 C ATOM 1982 C GLY A 138 3.402 -5.961 6.086 1.00 4.44 C ATOM 1983 O GLY A 138 2.660 -5.271 5.374 1.00 64.44 O ATOM 0 H GLY A 138 1.505 -7.554 5.371 1.00 22.53 H new ATOM 0 HA2 GLY A 138 4.140 -7.903 6.632 1.00 63.11 H new ATOM 0 HA3 GLY A 138 4.068 -7.626 4.903 1.00 63.11 H new ATOM 1987 N VAL A 139 4.156 -5.454 7.066 1.00 51.21 N ATOM 1988 CA VAL A 139 4.477 -4.042 7.224 1.00 43.42 C ATOM 1989 C VAL A 139 5.912 -3.983 7.769 1.00 44.23 C ATOM 1990 O VAL A 139 6.106 -4.067 8.984 1.00 75.44 O ATOM 1991 CB VAL A 139 3.451 -3.323 8.150 1.00 3.02 C ATOM 1992 CG1 VAL A 139 3.564 -1.801 7.980 1.00 73.35 C ATOM 1993 CG2 VAL A 139 1.977 -3.698 7.934 1.00 74.31 C ATOM 0 H VAL A 139 4.571 -6.038 7.792 1.00 51.21 H new ATOM 0 HA VAL A 139 4.415 -3.511 6.274 1.00 43.42 H new ATOM 0 HB VAL A 139 3.720 -3.661 9.151 1.00 3.02 H new ATOM 0 HG11 VAL A 139 2.843 -1.308 8.631 1.00 73.35 H new ATOM 0 HG12 VAL A 139 4.571 -1.479 8.244 1.00 73.35 H new ATOM 0 HG13 VAL A 139 3.358 -1.534 6.943 1.00 73.35 H new ATOM 0 HG21 VAL A 139 1.353 -3.139 8.631 1.00 74.31 H new ATOM 0 HG22 VAL A 139 1.686 -3.456 6.912 1.00 74.31 H new ATOM 0 HG23 VAL A 139 1.844 -4.766 8.105 1.00 74.31 H new ATOM 2003 N ALA A 140 6.933 -3.886 6.909 1.00 62.42 N ATOM 2004 CA ALA A 140 8.335 -3.785 7.332 1.00 12.21 C ATOM 2005 C ALA A 140 9.112 -2.876 6.378 1.00 54.43 C ATOM 2006 O ALA A 140 8.713 -2.706 5.227 1.00 62.23 O ATOM 2007 CB ALA A 140 8.973 -5.179 7.403 1.00 72.34 C ATOM 0 H ALA A 140 6.810 -3.875 5.897 1.00 62.42 H new ATOM 0 HA ALA A 140 8.371 -3.344 8.328 1.00 12.21 H new ATOM 0 HB1 ALA A 140 10.013 -5.088 7.718 1.00 72.34 H new ATOM 0 HB2 ALA A 140 8.429 -5.792 8.121 1.00 72.34 H new ATOM 0 HB3 ALA A 140 8.932 -5.649 6.420 1.00 72.34 H new ATOM 2013 N ARG A 141 10.213 -2.283 6.845 1.00 33.43 N ATOM 2014 CA ARG A 141 11.057 -1.405 6.035 1.00 60.12 C ATOM 2015 C ARG A 141 11.892 -2.235 5.063 1.00 4.32 C ATOM 2016 O ARG A 141 12.150 -3.418 5.339 1.00 53.25 O ATOM 2017 CB ARG A 141 11.926 -0.495 6.934 1.00 60.43 C ATOM 2018 CG ARG A 141 13.312 -1.050 7.296 1.00 72.53 C ATOM 2019 CD ARG A 141 14.045 -0.181 8.323 1.00 34.14 C ATOM 2020 NE ARG A 141 13.776 -0.611 9.706 1.00 55.34 N ATOM 2021 CZ ARG A 141 14.328 -0.086 10.803 1.00 11.23 C ATOM 2022 NH1 ARG A 141 15.035 1.033 10.733 1.00 4.23 N ATOM 2023 NH2 ARG A 141 14.205 -0.720 11.963 1.00 3.24 N ATOM 0 H ARG A 141 10.545 -2.400 7.802 1.00 33.43 H new ATOM 0 HA ARG A 141 10.424 -0.744 5.442 1.00 60.12 H new ATOM 0 HB2 ARG A 141 12.058 0.463 6.431 1.00 60.43 H new ATOM 0 HB3 ARG A 141 11.380 -0.298 7.857 1.00 60.43 H new ATOM 0 HG2 ARG A 141 13.203 -2.060 7.692 1.00 72.53 H new ATOM 0 HG3 ARG A 141 13.916 -1.126 6.392 1.00 72.53 H new ATOM 0 HD2 ARG A 141 15.117 -0.223 8.133 1.00 34.14 H new ATOM 0 HD3 ARG A 141 13.740 0.858 8.201 1.00 34.14 H new ATOM 0 HE ARG A 141 13.112 -1.374 9.837 1.00 55.34 H new ATOM 0 HH11 ARG A 141 15.161 1.501 9.836 1.00 4.23 H new ATOM 0 HH12 ARG A 141 15.453 1.426 11.577 1.00 4.23 H new ATOM 0 HH21 ARG A 141 13.692 -1.600 12.011 1.00 3.24 H new ATOM 0 HH22 ARG A 141 14.623 -0.327 12.806 1.00 3.24 H new ATOM 2034 N ASP A 142 12.405 -1.583 4.016 1.00 31.30 N ATOM 2035 CA ASP A 142 13.249 -2.160 2.958 1.00 41.25 C ATOM 2036 C ASP A 142 12.566 -3.412 2.389 1.00 41.05 C ATOM 2037 O ASP A 142 11.336 -3.495 2.414 1.00 4.41 O ATOM 2038 CB ASP A 142 14.713 -2.330 3.433 1.00 23.40 C ATOM 2039 CG ASP A 142 15.466 -1.001 3.613 1.00 40.25 C ATOM 2040 OD1 ASP A 142 14.948 -0.055 4.245 1.00 31.53 O ATOM 2041 OD2 ASP A 142 16.648 -0.894 3.193 1.00 2.21 O ATOM 0 H ASP A 142 12.236 -0.587 3.873 1.00 31.30 H new ATOM 0 HA ASP A 142 13.343 -1.475 2.116 1.00 41.25 H new ATOM 0 HB2 ASP A 142 14.717 -2.870 4.380 1.00 23.40 H new ATOM 0 HB3 ASP A 142 15.250 -2.946 2.712 1.00 23.40 H new ATOM 2045 N ASP A 143 13.314 -4.355 1.821 1.00 23.23 N ATOM 2046 CA ASP A 143 12.815 -5.590 1.199 1.00 42.23 C ATOM 2047 C ASP A 143 13.308 -6.834 1.956 1.00 24.40 C ATOM 2048 O ASP A 143 13.228 -7.959 1.457 1.00 14.01 O ATOM 2049 CB ASP A 143 13.145 -5.631 -0.304 1.00 21.53 C ATOM 2050 CG ASP A 143 14.613 -5.395 -0.612 1.00 2.10 C ATOM 2051 OD1 ASP A 143 15.453 -6.209 -0.182 1.00 62.35 O ATOM 2052 OD2 ASP A 143 14.948 -4.354 -1.217 1.00 75.55 O ATOM 0 H ASP A 143 14.330 -4.281 1.777 1.00 23.23 H new ATOM 0 HA ASP A 143 11.728 -5.595 1.275 1.00 42.23 H new ATOM 0 HB2 ASP A 143 12.850 -6.600 -0.706 1.00 21.53 H new ATOM 0 HB3 ASP A 143 12.549 -4.877 -0.819 1.00 21.53 H new ATOM 2056 N SER A 144 13.762 -6.639 3.196 1.00 44.13 N ATOM 2057 CA SER A 144 14.289 -7.628 4.127 1.00 0.42 C ATOM 2058 C SER A 144 13.331 -8.815 4.333 1.00 33.41 C ATOM 2059 O SER A 144 13.779 -9.890 4.732 1.00 51.03 O ATOM 2060 CB SER A 144 14.578 -6.865 5.432 1.00 60.51 C ATOM 2061 OG SER A 144 15.277 -7.602 6.416 1.00 62.55 O ATOM 0 H SER A 144 13.769 -5.705 3.605 1.00 44.13 H new ATOM 0 HA SER A 144 15.197 -8.088 3.736 1.00 0.42 H new ATOM 0 HB2 SER A 144 15.154 -5.971 5.192 1.00 60.51 H new ATOM 0 HB3 SER A 144 13.631 -6.530 5.856 1.00 60.51 H new ATOM 0 HG SER A 144 15.418 -7.041 7.207 1.00 62.55 H new ATOM 2066 N GLU A 145 12.032 -8.653 4.070 1.00 63.31 N ATOM 2067 CA GLU A 145 11.011 -9.650 4.373 1.00 34.22 C ATOM 2068 C GLU A 145 10.266 -10.138 3.122 1.00 12.12 C ATOM 2069 O GLU A 145 9.281 -10.868 3.238 1.00 3.12 O ATOM 2070 CB GLU A 145 10.044 -9.059 5.392 1.00 43.42 C ATOM 2071 CG GLU A 145 10.674 -8.629 6.724 1.00 71.55 C ATOM 2072 CD GLU A 145 9.697 -8.864 7.887 1.00 62.51 C ATOM 2073 OE1 GLU A 145 8.493 -8.542 7.779 1.00 73.43 O ATOM 2074 OE2 GLU A 145 10.077 -9.514 8.889 1.00 53.41 O ATOM 0 H GLU A 145 11.658 -7.811 3.633 1.00 63.31 H new ATOM 0 HA GLU A 145 11.502 -10.531 4.787 1.00 34.22 H new ATOM 0 HB2 GLU A 145 9.555 -8.194 4.945 1.00 43.42 H new ATOM 0 HB3 GLU A 145 9.266 -9.794 5.598 1.00 43.42 H new ATOM 0 HG2 GLU A 145 11.593 -9.190 6.895 1.00 71.55 H new ATOM 0 HG3 GLU A 145 10.947 -7.575 6.679 1.00 71.55 H new ATOM 2079 N VAL A 146 10.732 -9.812 1.909 1.00 12.10 N ATOM 2080 CA VAL A 146 10.170 -10.414 0.691 1.00 40.12 C ATOM 2081 C VAL A 146 10.229 -11.952 0.786 1.00 41.04 C ATOM 2082 O VAL A 146 9.323 -12.642 0.319 1.00 3.34 O ATOM 2083 CB VAL A 146 10.888 -9.846 -0.550 1.00 12.24 C ATOM 2084 CG1 VAL A 146 10.502 -10.552 -1.859 1.00 2.20 C ATOM 2085 CG2 VAL A 146 10.553 -8.353 -0.706 1.00 64.53 C ATOM 0 H VAL A 146 11.486 -9.145 1.745 1.00 12.10 H new ATOM 0 HA VAL A 146 9.117 -10.153 0.590 1.00 40.12 H new ATOM 0 HB VAL A 146 11.952 -10.009 -0.381 1.00 12.24 H new ATOM 0 HG11 VAL A 146 11.045 -10.101 -2.690 1.00 2.20 H new ATOM 0 HG12 VAL A 146 10.757 -11.610 -1.791 1.00 2.20 H new ATOM 0 HG13 VAL A 146 9.430 -10.447 -2.027 1.00 2.20 H new ATOM 0 HG21 VAL A 146 11.062 -7.956 -1.584 1.00 64.53 H new ATOM 0 HG22 VAL A 146 9.476 -8.232 -0.825 1.00 64.53 H new ATOM 0 HG23 VAL A 146 10.883 -7.812 0.181 1.00 64.53 H new ATOM 2095 N ASP A 147 11.233 -12.465 1.502 1.00 23.10 N ATOM 2096 CA ASP A 147 11.471 -13.863 1.852 1.00 51.04 C ATOM 2097 C ASP A 147 10.319 -14.523 2.628 1.00 4.41 C ATOM 2098 O ASP A 147 10.318 -15.739 2.806 1.00 12.13 O ATOM 2099 CB ASP A 147 12.762 -13.937 2.688 1.00 23.42 C ATOM 2100 CG ASP A 147 13.819 -14.795 2.007 1.00 4.13 C ATOM 2101 OD1 ASP A 147 14.608 -14.235 1.217 1.00 41.21 O ATOM 2102 OD2 ASP A 147 13.888 -16.010 2.314 1.00 73.32 O ATOM 0 H ASP A 147 11.960 -11.860 1.883 1.00 23.10 H new ATOM 0 HA ASP A 147 11.556 -14.418 0.918 1.00 51.04 H new ATOM 0 HB2 ASP A 147 13.153 -12.932 2.845 1.00 23.42 H new ATOM 0 HB3 ASP A 147 12.537 -14.348 3.672 1.00 23.42 H new ATOM 2106 N LYS A 148 9.334 -13.771 3.122 1.00 4.23 N ATOM 2107 CA LYS A 148 8.171 -14.272 3.866 1.00 51.24 C ATOM 2108 C LYS A 148 6.860 -13.683 3.342 1.00 34.11 C ATOM 2109 O LYS A 148 5.794 -13.973 3.890 1.00 31.53 O ATOM 2110 CB LYS A 148 8.371 -14.010 5.366 1.00 54.12 C ATOM 2111 CG LYS A 148 8.684 -12.549 5.700 1.00 40.24 C ATOM 2112 CD LYS A 148 8.703 -12.255 7.199 1.00 53.33 C ATOM 2113 CE LYS A 148 7.357 -11.694 7.672 1.00 55.03 C ATOM 2114 NZ LYS A 148 7.498 -10.860 8.885 1.00 0.00 N ATOM 0 H LYS A 148 9.322 -12.757 3.012 1.00 4.23 H new ATOM 0 HA LYS A 148 8.093 -15.348 3.713 1.00 51.24 H new ATOM 0 HB2 LYS A 148 7.470 -14.311 5.901 1.00 54.12 H new ATOM 0 HB3 LYS A 148 9.183 -14.639 5.730 1.00 54.12 H new ATOM 0 HG2 LYS A 148 9.653 -12.287 5.275 1.00 40.24 H new ATOM 0 HG3 LYS A 148 7.943 -11.909 5.222 1.00 40.24 H new ATOM 0 HD2 LYS A 148 8.932 -13.168 7.748 1.00 53.33 H new ATOM 0 HD3 LYS A 148 9.496 -11.541 7.422 1.00 53.33 H new ATOM 0 HE2 LYS A 148 6.912 -11.100 6.874 1.00 55.03 H new ATOM 0 HE3 LYS A 148 6.673 -12.518 7.876 1.00 55.03 H new ATOM 0 HZ1 LYS A 148 6.687 -11.024 9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 8.378 -11.112 9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 7.529 -9.856 8.615 1.00 0.00 H new ATOM 2124 N TRP A 149 6.924 -12.892 2.273 1.00 24.20 N ATOM 2125 CA TRP A 149 5.791 -12.372 1.522 1.00 74.52 C ATOM 2126 C TRP A 149 5.760 -12.979 0.111 1.00 62.54 C ATOM 2127 O TRP A 149 5.453 -12.272 -0.850 1.00 35.43 O ATOM 2128 CB TRP A 149 5.901 -10.844 1.457 1.00 55.04 C ATOM 2129 CG TRP A 149 6.122 -10.098 2.737 1.00 54.25 C ATOM 2130 CD1 TRP A 149 5.707 -10.473 3.967 1.00 12.00 C ATOM 2131 CD2 TRP A 149 6.822 -8.833 2.923 1.00 20.43 C ATOM 2132 NE1 TRP A 149 6.077 -9.521 4.890 1.00 40.41 N ATOM 2133 CE2 TRP A 149 6.763 -8.482 4.300 1.00 74.45 C ATOM 2134 CE3 TRP A 149 7.504 -7.949 2.062 1.00 35.14 C ATOM 2135 CZ2 TRP A 149 7.322 -7.293 4.791 1.00 13.22 C ATOM 2136 CZ3 TRP A 149 8.064 -6.749 2.536 1.00 31.51 C ATOM 2137 CH2 TRP A 149 7.974 -6.416 3.900 1.00 42.01 C ATOM 0 H TRP A 149 7.817 -12.582 1.890 1.00 24.20 H new ATOM 0 HA TRP A 149 4.861 -12.646 2.020 1.00 74.52 H new ATOM 0 HB2 TRP A 149 6.720 -10.597 0.781 1.00 55.04 H new ATOM 0 HB3 TRP A 149 4.987 -10.463 1.002 1.00 55.04 H new ATOM 0 HD1 TRP A 149 5.167 -11.381 4.192 1.00 12.00 H new ATOM 0 HE1 TRP A 149 5.869 -9.578 5.887 1.00 40.41 H new ATOM 0 HE3 TRP A 149 7.598 -8.199 1.016 1.00 35.14 H new ATOM 0 HZ2 TRP A 149 7.254 -7.052 5.841 1.00 13.22 H new ATOM 0 HZ3 TRP A 149 8.565 -6.081 1.851 1.00 31.51 H new ATOM 0 HH2 TRP A 149 8.402 -5.493 4.263 1.00 42.01 H new ATOM 2147 N SER A 150 6.163 -14.243 -0.060 1.00 23.33 N ATOM 2148 CA SER A 150 6.114 -14.929 -1.357 1.00 12.24 C ATOM 2149 C SER A 150 6.215 -16.462 -1.244 1.00 75.44 C ATOM 2150 O SER A 150 5.749 -17.160 -2.140 1.00 43.42 O ATOM 2151 CB SER A 150 7.232 -14.360 -2.260 1.00 34.11 C ATOM 2152 OG SER A 150 7.103 -14.738 -3.619 1.00 3.33 O ATOM 0 H SER A 150 6.532 -14.819 0.696 1.00 23.33 H new ATOM 0 HA SER A 150 5.136 -14.739 -1.800 1.00 12.24 H new ATOM 0 HB2 SER A 150 7.227 -13.272 -2.191 1.00 34.11 H new ATOM 0 HB3 SER A 150 8.198 -14.698 -1.886 1.00 34.11 H new ATOM 0 HG SER A 150 7.836 -14.347 -4.138 1.00 3.33 H new ATOM 2157 N LYS A 151 6.850 -17.005 -0.197 1.00 61.25 N ATOM 2158 CA LYS A 151 7.167 -18.437 -0.100 1.00 15.11 C ATOM 2159 C LYS A 151 5.938 -19.335 -0.139 1.00 44.03 C ATOM 2160 O LYS A 151 4.939 -19.060 0.552 1.00 11.44 O ATOM 2161 CB LYS A 151 7.995 -18.706 1.166 1.00 40.05 C ATOM 2162 CG LYS A 151 9.453 -18.284 0.974 1.00 40.42 C ATOM 2163 CD LYS A 151 10.357 -18.788 2.099 1.00 51.13 C ATOM 2164 CE LYS A 151 11.765 -18.232 1.878 1.00 23.23 C ATOM 2165 NZ LYS A 151 12.611 -18.299 3.084 1.00 12.31 N ATOM 0 H LYS A 151 7.159 -16.462 0.609 1.00 61.25 H new ATOM 0 HA LYS A 151 7.752 -18.690 -0.985 1.00 15.11 H new ATOM 0 HB2 LYS A 151 7.564 -18.163 2.007 1.00 40.05 H new ATOM 0 HB3 LYS A 151 7.950 -19.766 1.414 1.00 40.05 H new ATOM 0 HG2 LYS A 151 9.817 -18.666 0.020 1.00 40.42 H new ATOM 0 HG3 LYS A 151 9.510 -17.197 0.925 1.00 40.42 H new ATOM 0 HD2 LYS A 151 9.971 -18.468 3.067 1.00 51.13 H new ATOM 0 HD3 LYS A 151 10.378 -19.878 2.109 1.00 51.13 H new ATOM 0 HE2 LYS A 151 12.246 -18.788 1.073 1.00 23.23 H new ATOM 0 HE3 LYS A 151 11.692 -17.195 1.550 1.00 23.23 H new ATOM 0 HZ1 LYS A 151 13.340 -17.559 3.038 1.00 12.31 H new ATOM 0 HZ2 LYS A 151 12.023 -18.154 3.929 1.00 12.31 H new ATOM 0 HZ3 LYS A 151 13.068 -19.232 3.136 1.00 12.31 H new