USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 847 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 82 GLN : amide:sc= 0.138 K(o=-0.64,f=-2.4) USER MOD Set 1.2: A 95 HIS : no HE2:sc= -0.777 K(o=-0.64,f=-2.6) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 132:sc= 0.0296 (180deg=-0.0111) USER MOD Set 2.2: A 70 GLN : amide:sc= 0.15 K(o=-0.68,f=-1.2) USER MOD Set 2.3: A 72 TYR OH : rot -27:sc= -0.861 USER MOD Set 3.1: A 23 GLN : amide:sc= 0.0962 K(o=0.79,f=-1.1) USER MOD Set 3.2: A 88 LYS NZ :NH3+ -156:sc= 0.689 (180deg=0) USER MOD Set 4.1: A 9 THR OG1 : rot -110:sc= 1.2 USER MOD Set 4.2: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.141 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00809) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0294) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -43:sc= 0.428 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0564 X(o=-0.056,f=-0.22) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= -0.0469 (180deg=-0.201) USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 0.302 (180deg=-1.1!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 56 SER OG : rot 180:sc= -0.796 USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0337) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0.72 (180deg=0.633) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.959 K(o=-0.96,f=-0.017) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -110:sc= 0.375 USER MOD Single : A 77 ASN : amide:sc= -0.626 X(o=-0.63,f=-1.1) USER MOD Single : A 85 LYS NZ :NH3+ -173:sc=-0.00815 (180deg=-0.0732) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 97 HIS : no HE2:sc= 0.347 K(o=0.35,f=-1.3) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.876 16.042 -5.224 1.00 44.30 N ATOM 2 CA MET A 1 1.762 15.109 -5.516 1.00 41.32 C ATOM 3 C MET A 1 2.232 13.992 -6.469 1.00 23.55 C ATOM 4 O MET A 1 2.181 14.133 -7.699 1.00 72.21 O ATOM 5 CB MET A 1 0.525 15.870 -6.089 1.00 24.15 C ATOM 6 CG MET A 1 -0.169 16.812 -5.092 1.00 75.25 C ATOM 7 SD MET A 1 -1.596 17.676 -5.799 1.00 74.03 S ATOM 8 CE MET A 1 -2.669 16.318 -6.265 1.00 40.04 C ATOM 0 H1 MET A 1 2.558 16.759 -4.541 1.00 44.30 H new ATOM 0 H2 MET A 1 3.676 15.513 -4.823 1.00 44.30 H new ATOM 0 H3 MET A 1 3.176 16.510 -6.103 1.00 44.30 H new ATOM 0 HA MET A 1 1.449 14.644 -4.581 1.00 41.32 H new ATOM 0 HB2 MET A 1 0.842 16.450 -6.956 1.00 24.15 H new ATOM 0 HB3 MET A 1 -0.202 15.139 -6.443 1.00 24.15 H new ATOM 0 HG2 MET A 1 -0.494 16.237 -4.225 1.00 75.25 H new ATOM 0 HG3 MET A 1 0.552 17.547 -4.735 1.00 75.25 H new ATOM 0 HE1 MET A 1 -3.703 16.575 -6.033 1.00 40.04 H new ATOM 0 HE2 MET A 1 -2.573 16.129 -7.334 1.00 40.04 H new ATOM 0 HE3 MET A 1 -2.385 15.423 -5.711 1.00 40.04 H new ATOM 20 N GLY A 2 2.760 12.910 -5.868 1.00 30.34 N ATOM 21 CA GLY A 2 3.020 11.651 -6.574 1.00 44.51 C ATOM 22 C GLY A 2 1.867 10.680 -6.371 1.00 63.52 C ATOM 23 O GLY A 2 1.014 10.908 -5.509 1.00 53.33 O ATOM 0 H GLY A 2 3.016 12.888 -4.881 1.00 30.34 H new ATOM 0 HA2 GLY A 2 3.157 11.845 -7.638 1.00 44.51 H new ATOM 0 HA3 GLY A 2 3.946 11.207 -6.209 1.00 44.51 H new ATOM 27 N ARG A 3 1.823 9.607 -7.173 1.00 35.44 N ATOM 28 CA ARG A 3 0.730 8.617 -7.090 1.00 42.23 C ATOM 29 C ARG A 3 0.864 7.781 -5.804 1.00 33.22 C ATOM 30 O ARG A 3 1.971 7.365 -5.441 1.00 2.44 O ATOM 31 CB ARG A 3 0.721 7.709 -8.347 1.00 64.10 C ATOM 32 CG ARG A 3 0.510 8.480 -9.672 1.00 53.25 C ATOM 33 CD ARG A 3 0.498 7.552 -10.891 1.00 60.10 C ATOM 34 NE ARG A 3 0.362 8.268 -12.172 1.00 53.32 N ATOM 35 CZ ARG A 3 0.619 7.732 -13.381 1.00 34.41 C ATOM 36 NH1 ARG A 3 1.015 6.470 -13.491 1.00 3.42 N ATOM 37 NH2 ARG A 3 0.472 8.461 -14.474 1.00 32.34 N ATOM 0 H ARG A 3 2.525 9.399 -7.884 1.00 35.44 H new ATOM 0 HA ARG A 3 -0.221 9.148 -7.053 1.00 42.23 H new ATOM 0 HB2 ARG A 3 1.665 7.167 -8.399 1.00 64.10 H new ATOM 0 HB3 ARG A 3 -0.068 6.965 -8.241 1.00 64.10 H new ATOM 0 HG2 ARG A 3 -0.432 9.027 -9.625 1.00 53.25 H new ATOM 0 HG3 ARG A 3 1.302 9.219 -9.789 1.00 53.25 H new ATOM 0 HD2 ARG A 3 1.420 6.971 -10.905 1.00 60.10 H new ATOM 0 HD3 ARG A 3 -0.324 6.843 -10.791 1.00 60.10 H new ATOM 0 HE ARG A 3 0.051 9.239 -12.141 1.00 53.32 H new ATOM 0 HH11 ARG A 3 1.127 5.896 -12.655 1.00 3.42 H new ATOM 0 HH12 ARG A 3 1.207 6.074 -14.411 1.00 3.42 H new ATOM 0 HH21 ARG A 3 0.164 9.431 -14.403 1.00 32.34 H new ATOM 0 HH22 ARG A 3 0.667 8.054 -15.389 1.00 32.34 H new ATOM 51 N LEU A 4 -0.268 7.577 -5.113 1.00 62.31 N ATOM 52 CA LEU A 4 -0.333 6.823 -3.851 1.00 44.13 C ATOM 53 C LEU A 4 -0.923 5.425 -4.123 1.00 54.54 C ATOM 54 O LEU A 4 -2.031 5.309 -4.661 1.00 4.03 O ATOM 55 CB LEU A 4 -1.211 7.587 -2.812 1.00 21.14 C ATOM 56 CG LEU A 4 -1.236 6.986 -1.364 1.00 73.52 C ATOM 57 CD1 LEU A 4 0.146 7.081 -0.699 1.00 53.15 C ATOM 58 CD2 LEU A 4 -2.311 7.658 -0.483 1.00 71.14 C ATOM 0 H LEU A 4 -1.173 7.934 -5.418 1.00 62.31 H new ATOM 0 HA LEU A 4 0.671 6.717 -3.441 1.00 44.13 H new ATOM 0 HB2 LEU A 4 -0.856 8.616 -2.752 1.00 21.14 H new ATOM 0 HB3 LEU A 4 -2.234 7.624 -3.187 1.00 21.14 H new ATOM 0 HG LEU A 4 -1.498 5.932 -1.460 1.00 73.52 H new ATOM 0 HD11 LEU A 4 0.097 6.656 0.304 1.00 53.15 H new ATOM 0 HD12 LEU A 4 0.874 6.528 -1.292 1.00 53.15 H new ATOM 0 HD13 LEU A 4 0.448 8.126 -0.636 1.00 53.15 H new ATOM 0 HD21 LEU A 4 -2.296 7.213 0.512 1.00 71.14 H new ATOM 0 HD22 LEU A 4 -2.104 8.725 -0.407 1.00 71.14 H new ATOM 0 HD23 LEU A 4 -3.293 7.510 -0.932 1.00 71.14 H new ATOM 70 N VAL A 5 -0.165 4.372 -3.774 1.00 52.51 N ATOM 71 CA VAL A 5 -0.632 2.971 -3.855 1.00 61.33 C ATOM 72 C VAL A 5 -0.847 2.447 -2.429 1.00 52.45 C ATOM 73 O VAL A 5 0.040 2.560 -1.584 1.00 23.03 O ATOM 74 CB VAL A 5 0.391 2.050 -4.641 1.00 63.31 C ATOM 75 CG1 VAL A 5 -0.016 0.550 -4.602 1.00 41.11 C ATOM 76 CG2 VAL A 5 0.545 2.539 -6.102 1.00 53.02 C ATOM 0 H VAL A 5 0.790 4.464 -3.427 1.00 52.51 H new ATOM 0 HA VAL A 5 -1.569 2.943 -4.412 1.00 61.33 H new ATOM 0 HB VAL A 5 1.354 2.131 -4.137 1.00 63.31 H new ATOM 0 HG11 VAL A 5 0.716 -0.040 -5.154 1.00 41.11 H new ATOM 0 HG12 VAL A 5 -0.051 0.209 -3.567 1.00 41.11 H new ATOM 0 HG13 VAL A 5 -0.999 0.428 -5.057 1.00 41.11 H new ATOM 0 HG21 VAL A 5 1.251 1.896 -6.628 1.00 53.02 H new ATOM 0 HG22 VAL A 5 -0.423 2.501 -6.602 1.00 53.02 H new ATOM 0 HG23 VAL A 5 0.916 3.564 -6.105 1.00 53.02 H new ATOM 86 N VAL A 6 -2.048 1.915 -2.165 1.00 4.41 N ATOM 87 CA VAL A 6 -2.399 1.309 -0.875 1.00 52.43 C ATOM 88 C VAL A 6 -2.323 -0.215 -1.013 1.00 41.41 C ATOM 89 O VAL A 6 -2.894 -0.774 -1.931 1.00 44.33 O ATOM 90 CB VAL A 6 -3.840 1.740 -0.413 1.00 64.14 C ATOM 91 CG1 VAL A 6 -4.248 1.052 0.913 1.00 20.33 C ATOM 92 CG2 VAL A 6 -3.943 3.282 -0.299 1.00 54.24 C ATOM 0 H VAL A 6 -2.808 1.893 -2.845 1.00 4.41 H new ATOM 0 HA VAL A 6 -1.696 1.654 -0.117 1.00 52.43 H new ATOM 0 HB VAL A 6 -4.543 1.408 -1.177 1.00 64.14 H new ATOM 0 HG11 VAL A 6 -5.249 1.376 1.198 1.00 20.33 H new ATOM 0 HG12 VAL A 6 -4.241 -0.030 0.779 1.00 20.33 H new ATOM 0 HG13 VAL A 6 -3.542 1.325 1.697 1.00 20.33 H new ATOM 0 HG21 VAL A 6 -4.948 3.557 0.022 1.00 54.24 H new ATOM 0 HG22 VAL A 6 -3.218 3.642 0.431 1.00 54.24 H new ATOM 0 HG23 VAL A 6 -3.736 3.733 -1.269 1.00 54.24 H new ATOM 102 N VAL A 7 -1.581 -0.863 -0.121 1.00 71.21 N ATOM 103 CA VAL A 7 -1.466 -2.318 -0.051 1.00 34.03 C ATOM 104 C VAL A 7 -2.237 -2.822 1.176 1.00 43.14 C ATOM 105 O VAL A 7 -2.021 -2.343 2.283 1.00 24.42 O ATOM 106 CB VAL A 7 0.038 -2.741 0.047 1.00 71.35 C ATOM 107 CG1 VAL A 7 0.212 -4.266 0.206 1.00 32.11 C ATOM 108 CG2 VAL A 7 0.842 -2.204 -1.157 1.00 44.20 C ATOM 0 H VAL A 7 -1.030 -0.382 0.590 1.00 71.21 H new ATOM 0 HA VAL A 7 -1.887 -2.759 -0.955 1.00 34.03 H new ATOM 0 HB VAL A 7 0.439 -2.287 0.953 1.00 71.35 H new ATOM 0 HG11 VAL A 7 1.273 -4.506 0.269 1.00 32.11 H new ATOM 0 HG12 VAL A 7 -0.290 -4.597 1.115 1.00 32.11 H new ATOM 0 HG13 VAL A 7 -0.224 -4.774 -0.654 1.00 32.11 H new ATOM 0 HG21 VAL A 7 1.884 -2.511 -1.065 1.00 44.20 H new ATOM 0 HG22 VAL A 7 0.425 -2.605 -2.081 1.00 44.20 H new ATOM 0 HG23 VAL A 7 0.785 -1.116 -1.176 1.00 44.20 H new ATOM 118 N VAL A 8 -3.127 -3.787 0.954 1.00 3.15 N ATOM 119 CA VAL A 8 -3.919 -4.445 2.010 1.00 60.33 C ATOM 120 C VAL A 8 -3.682 -5.958 1.913 1.00 62.44 C ATOM 121 O VAL A 8 -3.347 -6.459 0.840 1.00 61.33 O ATOM 122 CB VAL A 8 -5.457 -4.132 1.852 1.00 41.42 C ATOM 123 CG1 VAL A 8 -5.766 -2.630 2.087 1.00 51.25 C ATOM 124 CG2 VAL A 8 -5.968 -4.592 0.468 1.00 15.44 C ATOM 0 H VAL A 8 -3.327 -4.146 0.020 1.00 3.15 H new ATOM 0 HA VAL A 8 -3.605 -4.067 2.983 1.00 60.33 H new ATOM 0 HB VAL A 8 -5.988 -4.695 2.620 1.00 41.42 H new ATOM 0 HG11 VAL A 8 -6.836 -2.456 1.969 1.00 51.25 H new ATOM 0 HG12 VAL A 8 -5.462 -2.349 3.095 1.00 51.25 H new ATOM 0 HG13 VAL A 8 -5.218 -2.028 1.362 1.00 51.25 H new ATOM 0 HG21 VAL A 8 -7.031 -4.367 0.379 1.00 15.44 H new ATOM 0 HG22 VAL A 8 -5.420 -4.068 -0.315 1.00 15.44 H new ATOM 0 HG23 VAL A 8 -5.814 -5.666 0.362 1.00 15.44 H new ATOM 134 N THR A 9 -3.831 -6.687 3.024 1.00 33.14 N ATOM 135 CA THR A 9 -3.756 -8.169 3.014 1.00 33.53 C ATOM 136 C THR A 9 -5.164 -8.785 3.165 1.00 51.21 C ATOM 137 O THR A 9 -5.334 -10.008 3.083 1.00 73.24 O ATOM 138 CB THR A 9 -2.824 -8.701 4.146 1.00 55.41 C ATOM 139 OG1 THR A 9 -3.350 -8.311 5.420 1.00 43.12 O ATOM 140 CG2 THR A 9 -1.375 -8.182 4.010 1.00 42.53 C ATOM 0 H THR A 9 -4.004 -6.284 3.945 1.00 33.14 H new ATOM 0 HA THR A 9 -3.334 -8.468 2.054 1.00 33.53 H new ATOM 0 HB THR A 9 -2.793 -9.787 4.059 1.00 55.41 H new ATOM 0 HG1 THR A 9 -2.768 -7.632 5.820 1.00 43.12 H new ATOM 0 HG21 THR A 9 -0.768 -8.582 4.822 1.00 42.53 H new ATOM 0 HG22 THR A 9 -0.961 -8.505 3.055 1.00 42.53 H new ATOM 0 HG23 THR A 9 -1.373 -7.093 4.057 1.00 42.53 H new ATOM 148 N SER A 10 -6.173 -7.915 3.345 1.00 70.30 N ATOM 149 CA SER A 10 -7.551 -8.312 3.654 1.00 30.31 C ATOM 150 C SER A 10 -8.533 -7.639 2.678 1.00 33.22 C ATOM 151 O SER A 10 -8.390 -6.446 2.386 1.00 21.25 O ATOM 152 CB SER A 10 -7.863 -7.908 5.112 1.00 35.43 C ATOM 153 OG SER A 10 -6.950 -8.518 6.015 1.00 34.14 O ATOM 0 H SER A 10 -6.049 -6.905 3.278 1.00 70.30 H new ATOM 0 HA SER A 10 -7.662 -9.391 3.544 1.00 30.31 H new ATOM 0 HB2 SER A 10 -7.810 -6.824 5.212 1.00 35.43 H new ATOM 0 HB3 SER A 10 -8.882 -8.202 5.365 1.00 35.43 H new ATOM 0 HG SER A 10 -7.166 -8.247 6.932 1.00 34.14 H new ATOM 159 N GLU A 11 -9.506 -8.429 2.171 1.00 52.41 N ATOM 160 CA GLU A 11 -10.520 -7.967 1.201 1.00 5.12 C ATOM 161 C GLU A 11 -11.520 -6.975 1.824 1.00 24.24 C ATOM 162 O GLU A 11 -12.069 -6.129 1.118 1.00 44.15 O ATOM 163 CB GLU A 11 -11.282 -9.167 0.594 1.00 1.05 C ATOM 164 CG GLU A 11 -10.374 -10.232 -0.055 1.00 21.51 C ATOM 165 CD GLU A 11 -11.167 -11.396 -0.659 1.00 30.53 C ATOM 166 OE1 GLU A 11 -11.880 -12.086 0.101 1.00 24.14 O ATOM 167 OE2 GLU A 11 -11.125 -11.603 -1.894 1.00 71.51 O ATOM 0 H GLU A 11 -9.609 -9.411 2.426 1.00 52.41 H new ATOM 0 HA GLU A 11 -9.982 -7.442 0.412 1.00 5.12 H new ATOM 0 HB2 GLU A 11 -11.875 -9.640 1.377 1.00 1.05 H new ATOM 0 HB3 GLU A 11 -11.981 -8.797 -0.156 1.00 1.05 H new ATOM 0 HG2 GLU A 11 -9.772 -9.764 -0.834 1.00 21.51 H new ATOM 0 HG3 GLU A 11 -9.682 -10.619 0.693 1.00 21.51 H new ATOM 174 N GLN A 12 -11.762 -7.096 3.143 1.00 33.42 N ATOM 175 CA GLN A 12 -12.618 -6.142 3.882 1.00 34.43 C ATOM 176 C GLN A 12 -11.925 -4.767 3.970 1.00 5.10 C ATOM 177 O GLN A 12 -12.583 -3.733 3.862 1.00 53.44 O ATOM 178 CB GLN A 12 -12.968 -6.684 5.292 1.00 34.40 C ATOM 179 CG GLN A 12 -13.785 -7.987 5.285 1.00 24.34 C ATOM 180 CD GLN A 12 -14.088 -8.513 6.692 1.00 61.10 C ATOM 181 OE1 GLN A 12 -15.114 -8.181 7.287 1.00 62.24 O ATOM 182 NE2 GLN A 12 -13.187 -9.312 7.247 1.00 32.33 N ATOM 0 H GLN A 12 -11.378 -7.844 3.721 1.00 33.42 H new ATOM 0 HA GLN A 12 -13.554 -6.022 3.337 1.00 34.43 H new ATOM 0 HB2 GLN A 12 -12.043 -6.852 5.844 1.00 34.40 H new ATOM 0 HB3 GLN A 12 -13.528 -5.921 5.833 1.00 34.40 H new ATOM 0 HG2 GLN A 12 -14.723 -7.818 4.757 1.00 24.34 H new ATOM 0 HG3 GLN A 12 -13.239 -8.749 4.729 1.00 24.34 H new ATOM 0 HE21 GLN A 12 -12.347 -9.570 6.730 1.00 32.33 H new ATOM 0 HE22 GLN A 12 -13.334 -9.669 8.191 1.00 32.33 H new ATOM 191 N LEU A 13 -10.585 -4.776 4.140 1.00 31.13 N ATOM 192 CA LEU A 13 -9.751 -3.552 4.107 1.00 11.22 C ATOM 193 C LEU A 13 -9.599 -3.031 2.654 1.00 31.14 C ATOM 194 O LEU A 13 -9.452 -1.827 2.433 1.00 21.13 O ATOM 195 CB LEU A 13 -8.353 -3.823 4.749 1.00 70.53 C ATOM 196 CG LEU A 13 -8.354 -4.223 6.265 1.00 11.10 C ATOM 197 CD1 LEU A 13 -6.922 -4.515 6.778 1.00 31.52 C ATOM 198 CD2 LEU A 13 -9.056 -3.152 7.134 1.00 35.44 C ATOM 0 H LEU A 13 -10.051 -5.629 4.304 1.00 31.13 H new ATOM 0 HA LEU A 13 -10.251 -2.780 4.692 1.00 11.22 H new ATOM 0 HB2 LEU A 13 -7.865 -4.618 4.185 1.00 70.53 H new ATOM 0 HB3 LEU A 13 -7.742 -2.928 4.631 1.00 70.53 H new ATOM 0 HG LEU A 13 -8.927 -5.146 6.355 1.00 11.10 H new ATOM 0 HD11 LEU A 13 -6.962 -4.789 7.832 1.00 31.52 H new ATOM 0 HD12 LEU A 13 -6.491 -5.337 6.206 1.00 31.52 H new ATOM 0 HD13 LEU A 13 -6.304 -3.625 6.657 1.00 31.52 H new ATOM 0 HD21 LEU A 13 -9.038 -3.462 8.179 1.00 35.44 H new ATOM 0 HD22 LEU A 13 -8.536 -2.200 7.029 1.00 35.44 H new ATOM 0 HD23 LEU A 13 -10.090 -3.038 6.807 1.00 35.44 H new ATOM 210 N LYS A 14 -9.647 -3.959 1.676 1.00 34.35 N ATOM 211 CA LYS A 14 -9.542 -3.636 0.238 1.00 74.54 C ATOM 212 C LYS A 14 -10.740 -2.789 -0.224 1.00 32.00 C ATOM 213 O LYS A 14 -10.560 -1.653 -0.666 1.00 74.13 O ATOM 214 CB LYS A 14 -9.433 -4.941 -0.599 1.00 15.15 C ATOM 215 CG LYS A 14 -9.384 -4.733 -2.128 1.00 35.43 C ATOM 216 CD LYS A 14 -9.346 -6.062 -2.922 1.00 32.43 C ATOM 217 CE LYS A 14 -9.607 -5.849 -4.418 1.00 43.04 C ATOM 218 NZ LYS A 14 -9.450 -7.096 -5.205 1.00 2.34 N ATOM 0 H LYS A 14 -9.760 -4.956 1.862 1.00 34.35 H new ATOM 0 HA LYS A 14 -8.638 -3.047 0.082 1.00 74.54 H new ATOM 0 HB2 LYS A 14 -8.536 -5.478 -0.292 1.00 15.15 H new ATOM 0 HB3 LYS A 14 -10.284 -5.579 -0.361 1.00 15.15 H new ATOM 0 HG2 LYS A 14 -10.255 -4.156 -2.438 1.00 35.43 H new ATOM 0 HG3 LYS A 14 -8.504 -4.141 -2.380 1.00 35.43 H new ATOM 0 HD2 LYS A 14 -8.374 -6.536 -2.788 1.00 32.43 H new ATOM 0 HD3 LYS A 14 -10.092 -6.746 -2.518 1.00 32.43 H new ATOM 0 HE2 LYS A 14 -10.616 -5.461 -4.556 1.00 43.04 H new ATOM 0 HE3 LYS A 14 -8.920 -5.094 -4.799 1.00 43.04 H new ATOM 0 HZ1 LYS A 14 -9.637 -6.899 -6.209 1.00 2.34 H new ATOM 0 HZ2 LYS A 14 -8.480 -7.455 -5.097 1.00 2.34 H new ATOM 0 HZ3 LYS A 14 -10.123 -7.810 -4.861 1.00 2.34 H new ATOM 232 N GLU A 15 -11.962 -3.358 -0.086 1.00 63.32 N ATOM 233 CA GLU A 15 -13.220 -2.685 -0.470 1.00 20.03 C ATOM 234 C GLU A 15 -13.427 -1.387 0.324 1.00 64.41 C ATOM 235 O GLU A 15 -14.082 -0.468 -0.157 1.00 51.21 O ATOM 236 CB GLU A 15 -14.438 -3.629 -0.274 1.00 33.44 C ATOM 237 CG GLU A 15 -14.695 -4.067 1.188 1.00 73.41 C ATOM 238 CD GLU A 15 -15.957 -4.922 1.352 1.00 55.45 C ATOM 239 OE1 GLU A 15 -17.073 -4.376 1.196 1.00 41.31 O ATOM 240 OE2 GLU A 15 -15.851 -6.141 1.618 1.00 13.41 O ATOM 0 H GLU A 15 -12.100 -4.294 0.294 1.00 63.32 H new ATOM 0 HA GLU A 15 -13.141 -2.430 -1.527 1.00 20.03 H new ATOM 0 HB2 GLU A 15 -15.331 -3.129 -0.650 1.00 33.44 H new ATOM 0 HB3 GLU A 15 -14.290 -4.520 -0.884 1.00 33.44 H new ATOM 0 HG2 GLU A 15 -13.834 -4.630 1.548 1.00 73.41 H new ATOM 0 HG3 GLU A 15 -14.781 -3.180 1.816 1.00 73.41 H new ATOM 247 N GLU A 16 -12.859 -1.348 1.538 1.00 12.44 N ATOM 248 CA GLU A 16 -12.913 -0.191 2.430 1.00 50.43 C ATOM 249 C GLU A 16 -12.213 1.030 1.804 1.00 14.51 C ATOM 250 O GLU A 16 -12.841 2.076 1.588 1.00 13.31 O ATOM 251 CB GLU A 16 -12.259 -0.580 3.780 1.00 12.21 C ATOM 252 CG GLU A 16 -12.240 0.516 4.859 1.00 54.45 C ATOM 253 CD GLU A 16 -13.646 1.011 5.225 1.00 34.35 C ATOM 254 OE1 GLU A 16 -14.347 0.333 6.001 1.00 62.34 O ATOM 255 OE2 GLU A 16 -14.055 2.075 4.739 1.00 2.00 O ATOM 0 H GLU A 16 -12.342 -2.135 1.930 1.00 12.44 H new ATOM 0 HA GLU A 16 -13.952 0.093 2.595 1.00 50.43 H new ATOM 0 HB2 GLU A 16 -12.785 -1.447 4.180 1.00 12.21 H new ATOM 0 HB3 GLU A 16 -11.232 -0.891 3.588 1.00 12.21 H new ATOM 0 HG2 GLU A 16 -11.750 0.131 5.754 1.00 54.45 H new ATOM 0 HG3 GLU A 16 -11.643 1.357 4.506 1.00 54.45 H new ATOM 262 N VAL A 17 -10.912 0.867 1.505 1.00 31.34 N ATOM 263 CA VAL A 17 -10.079 1.946 0.950 1.00 42.34 C ATOM 264 C VAL A 17 -10.513 2.305 -0.497 1.00 45.23 C ATOM 265 O VAL A 17 -10.423 3.463 -0.892 1.00 35.31 O ATOM 266 CB VAL A 17 -8.547 1.576 0.998 1.00 21.43 C ATOM 267 CG1 VAL A 17 -7.667 2.753 0.520 1.00 24.40 C ATOM 268 CG2 VAL A 17 -8.120 1.112 2.418 1.00 73.35 C ATOM 0 H VAL A 17 -10.412 -0.011 1.641 1.00 31.34 H new ATOM 0 HA VAL A 17 -10.230 2.825 1.576 1.00 42.34 H new ATOM 0 HB VAL A 17 -8.395 0.743 0.312 1.00 21.43 H new ATOM 0 HG11 VAL A 17 -6.617 2.464 0.566 1.00 24.40 H new ATOM 0 HG12 VAL A 17 -7.928 3.009 -0.507 1.00 24.40 H new ATOM 0 HG13 VAL A 17 -7.834 3.617 1.163 1.00 24.40 H new ATOM 0 HG21 VAL A 17 -7.058 0.865 2.416 1.00 73.35 H new ATOM 0 HG22 VAL A 17 -8.305 1.913 3.133 1.00 73.35 H new ATOM 0 HG23 VAL A 17 -8.697 0.232 2.702 1.00 73.35 H new ATOM 278 N ARG A 18 -10.991 1.297 -1.267 1.00 22.03 N ATOM 279 CA ARG A 18 -11.493 1.506 -2.649 1.00 14.45 C ATOM 280 C ARG A 18 -12.805 2.308 -2.684 1.00 13.54 C ATOM 281 O ARG A 18 -13.023 3.087 -3.615 1.00 31.33 O ATOM 282 CB ARG A 18 -11.721 0.151 -3.389 1.00 1.25 C ATOM 283 CG ARG A 18 -10.442 -0.660 -3.666 1.00 34.24 C ATOM 284 CD ARG A 18 -10.718 -1.933 -4.483 1.00 73.22 C ATOM 285 NE ARG A 18 -11.707 -2.815 -3.826 1.00 73.04 N ATOM 286 CZ ARG A 18 -12.722 -3.452 -4.450 1.00 21.01 C ATOM 287 NH1 ARG A 18 -12.913 -3.320 -5.765 1.00 64.13 N ATOM 288 NH2 ARG A 18 -13.529 -4.233 -3.752 1.00 5.15 N ATOM 0 H ARG A 18 -11.040 0.328 -0.953 1.00 22.03 H new ATOM 0 HA ARG A 18 -10.717 2.078 -3.158 1.00 14.45 H new ATOM 0 HB2 ARG A 18 -12.400 -0.461 -2.795 1.00 1.25 H new ATOM 0 HB3 ARG A 18 -12.219 0.351 -4.338 1.00 1.25 H new ATOM 0 HG2 ARG A 18 -9.728 -0.035 -4.203 1.00 34.24 H new ATOM 0 HG3 ARG A 18 -9.977 -0.934 -2.719 1.00 34.24 H new ATOM 0 HD2 ARG A 18 -11.082 -1.656 -5.472 1.00 73.22 H new ATOM 0 HD3 ARG A 18 -9.786 -2.479 -4.627 1.00 73.22 H new ATOM 0 HE ARG A 18 -11.615 -2.954 -2.820 1.00 73.04 H new ATOM 0 HH11 ARG A 18 -12.287 -2.731 -6.315 1.00 64.13 H new ATOM 0 HH12 ARG A 18 -13.684 -3.808 -6.220 1.00 64.13 H new ATOM 0 HH21 ARG A 18 -13.383 -4.351 -2.749 1.00 5.15 H new ATOM 0 HH22 ARG A 18 -14.297 -4.717 -4.216 1.00 5.15 H new ATOM 302 N LYS A 19 -13.688 2.082 -1.694 1.00 25.22 N ATOM 303 CA LYS A 19 -15.015 2.735 -1.655 1.00 74.40 C ATOM 304 C LYS A 19 -14.870 4.193 -1.200 1.00 34.53 C ATOM 305 O LYS A 19 -15.469 5.101 -1.790 1.00 71.24 O ATOM 306 CB LYS A 19 -15.973 1.957 -0.719 1.00 3.53 C ATOM 307 CG LYS A 19 -17.443 2.460 -0.703 1.00 1.05 C ATOM 308 CD LYS A 19 -18.156 2.359 -2.076 1.00 23.33 C ATOM 309 CE LYS A 19 -18.249 0.917 -2.613 1.00 4.53 C ATOM 310 NZ LYS A 19 -18.934 -0.007 -1.663 1.00 50.23 N ATOM 0 H LYS A 19 -13.510 1.454 -0.910 1.00 25.22 H new ATOM 0 HA LYS A 19 -15.443 2.727 -2.658 1.00 74.40 H new ATOM 0 HB2 LYS A 19 -15.969 0.908 -1.014 1.00 3.53 H new ATOM 0 HB3 LYS A 19 -15.580 2.004 0.296 1.00 3.53 H new ATOM 0 HG2 LYS A 19 -18.006 1.884 0.031 1.00 1.05 H new ATOM 0 HG3 LYS A 19 -17.458 3.499 -0.372 1.00 1.05 H new ATOM 0 HD2 LYS A 19 -19.161 2.771 -1.986 1.00 23.33 H new ATOM 0 HD3 LYS A 19 -17.623 2.975 -2.800 1.00 23.33 H new ATOM 0 HE2 LYS A 19 -18.786 0.921 -3.561 1.00 4.53 H new ATOM 0 HE3 LYS A 19 -17.245 0.544 -2.817 1.00 4.53 H new ATOM 0 HZ1 LYS A 19 -19.030 -0.946 -2.100 1.00 50.23 H new ATOM 0 HZ2 LYS A 19 -18.373 -0.087 -0.791 1.00 50.23 H new ATOM 0 HZ3 LYS A 19 -19.877 0.367 -1.435 1.00 50.23 H new ATOM 324 N LYS A 20 -14.065 4.399 -0.139 1.00 63.01 N ATOM 325 CA LYS A 20 -13.716 5.740 0.355 1.00 51.11 C ATOM 326 C LYS A 20 -12.909 6.518 -0.713 1.00 45.04 C ATOM 327 O LYS A 20 -13.205 7.687 -0.996 1.00 50.12 O ATOM 328 CB LYS A 20 -12.906 5.642 1.689 1.00 23.34 C ATOM 329 CG LYS A 20 -13.765 5.428 2.961 1.00 14.20 C ATOM 330 CD LYS A 20 -12.902 5.271 4.241 1.00 52.32 C ATOM 331 CE LYS A 20 -13.706 5.462 5.548 1.00 54.12 C ATOM 332 NZ LYS A 20 -14.914 4.604 5.638 1.00 14.23 N ATOM 0 H LYS A 20 -13.641 3.641 0.396 1.00 63.01 H new ATOM 0 HA LYS A 20 -14.640 6.283 0.554 1.00 51.11 H new ATOM 0 HB2 LYS A 20 -12.195 4.820 1.606 1.00 23.34 H new ATOM 0 HB3 LYS A 20 -12.324 6.555 1.811 1.00 23.34 H new ATOM 0 HG2 LYS A 20 -14.442 6.273 3.085 1.00 14.20 H new ATOM 0 HG3 LYS A 20 -14.384 4.540 2.833 1.00 14.20 H new ATOM 0 HD2 LYS A 20 -12.446 4.281 4.244 1.00 52.32 H new ATOM 0 HD3 LYS A 20 -12.089 5.996 4.214 1.00 52.32 H new ATOM 0 HE2 LYS A 20 -13.057 5.250 6.397 1.00 54.12 H new ATOM 0 HE3 LYS A 20 -14.007 6.507 5.630 1.00 54.12 H new ATOM 0 HZ1 LYS A 20 -15.218 4.535 6.630 1.00 14.23 H new ATOM 0 HZ2 LYS A 20 -15.679 5.021 5.070 1.00 14.23 H new ATOM 0 HZ3 LYS A 20 -14.693 3.654 5.277 1.00 14.23 H new ATOM 346 N PHE A 21 -11.911 5.841 -1.316 1.00 1.34 N ATOM 347 CA PHE A 21 -10.976 6.455 -2.283 1.00 4.11 C ATOM 348 C PHE A 21 -10.828 5.549 -3.530 1.00 13.51 C ATOM 349 O PHE A 21 -9.964 4.659 -3.557 1.00 1.41 O ATOM 350 CB PHE A 21 -9.573 6.691 -1.640 1.00 22.32 C ATOM 351 CG PHE A 21 -9.594 7.427 -0.305 1.00 62.12 C ATOM 352 CD1 PHE A 21 -9.773 8.810 -0.246 1.00 14.53 C ATOM 353 CD2 PHE A 21 -9.443 6.734 0.894 1.00 5.31 C ATOM 354 CE1 PHE A 21 -9.793 9.466 0.973 1.00 74.34 C ATOM 355 CE2 PHE A 21 -9.469 7.395 2.101 1.00 3.04 C ATOM 356 CZ PHE A 21 -9.641 8.754 2.144 1.00 71.44 C ATOM 0 H PHE A 21 -11.730 4.852 -1.147 1.00 1.34 H new ATOM 0 HA PHE A 21 -11.387 7.420 -2.579 1.00 4.11 H new ATOM 0 HB2 PHE A 21 -9.087 5.725 -1.498 1.00 22.32 H new ATOM 0 HB3 PHE A 21 -8.959 7.257 -2.341 1.00 22.32 H new ATOM 0 HD1 PHE A 21 -9.897 9.373 -1.159 1.00 14.53 H new ATOM 0 HD2 PHE A 21 -9.304 5.663 0.876 1.00 5.31 H new ATOM 0 HE1 PHE A 21 -9.928 10.537 1.007 1.00 74.34 H new ATOM 0 HE2 PHE A 21 -9.353 6.839 3.020 1.00 3.04 H new ATOM 0 HZ PHE A 21 -9.657 9.267 3.094 1.00 71.44 H new ATOM 366 N PRO A 22 -11.699 5.727 -4.570 1.00 54.40 N ATOM 367 CA PRO A 22 -11.477 5.109 -5.905 1.00 71.30 C ATOM 368 C PRO A 22 -10.311 5.790 -6.677 1.00 23.44 C ATOM 369 O PRO A 22 -9.925 5.335 -7.758 1.00 64.42 O ATOM 370 CB PRO A 22 -12.845 5.296 -6.613 1.00 13.44 C ATOM 371 CG PRO A 22 -13.461 6.501 -5.958 1.00 60.54 C ATOM 372 CD PRO A 22 -12.988 6.480 -4.514 1.00 45.12 C ATOM 0 HA PRO A 22 -11.175 4.063 -5.846 1.00 71.30 H new ATOM 0 HB2 PRO A 22 -12.717 5.451 -7.684 1.00 13.44 H new ATOM 0 HB3 PRO A 22 -13.476 4.415 -6.492 1.00 13.44 H new ATOM 0 HG2 PRO A 22 -13.150 7.419 -6.457 1.00 60.54 H new ATOM 0 HG3 PRO A 22 -14.549 6.462 -6.013 1.00 60.54 H new ATOM 0 HD2 PRO A 22 -12.845 7.488 -4.125 1.00 45.12 H new ATOM 0 HD3 PRO A 22 -13.711 5.987 -3.864 1.00 45.12 H new ATOM 380 N GLN A 23 -9.764 6.879 -6.088 1.00 2.00 N ATOM 381 CA GLN A 23 -8.625 7.641 -6.647 1.00 63.33 C ATOM 382 C GLN A 23 -7.268 6.933 -6.422 1.00 13.10 C ATOM 383 O GLN A 23 -6.344 7.083 -7.236 1.00 11.44 O ATOM 384 CB GLN A 23 -8.600 9.062 -6.027 1.00 33.31 C ATOM 385 CG GLN A 23 -8.478 9.094 -4.490 1.00 34.21 C ATOM 386 CD GLN A 23 -8.533 10.502 -3.899 1.00 23.54 C ATOM 387 OE1 GLN A 23 -9.147 11.411 -4.462 1.00 1.33 O ATOM 388 NE2 GLN A 23 -7.901 10.696 -2.759 1.00 35.14 N ATOM 0 H GLN A 23 -10.105 7.256 -5.204 1.00 2.00 H new ATOM 0 HA GLN A 23 -8.770 7.707 -7.725 1.00 63.33 H new ATOM 0 HB2 GLN A 23 -7.765 9.616 -6.455 1.00 33.31 H new ATOM 0 HB3 GLN A 23 -9.511 9.586 -6.316 1.00 33.31 H new ATOM 0 HG2 GLN A 23 -9.281 8.497 -4.058 1.00 34.21 H new ATOM 0 HG3 GLN A 23 -7.539 8.624 -4.199 1.00 34.21 H new ATOM 0 HE21 GLN A 23 -7.401 9.925 -2.316 1.00 35.14 H new ATOM 0 HE22 GLN A 23 -7.912 11.617 -2.320 1.00 35.14 H new ATOM 397 N VAL A 24 -7.145 6.167 -5.319 1.00 3.45 N ATOM 398 CA VAL A 24 -5.911 5.420 -4.998 1.00 30.13 C ATOM 399 C VAL A 24 -6.062 3.964 -5.469 1.00 1.33 C ATOM 400 O VAL A 24 -7.163 3.404 -5.441 1.00 0.31 O ATOM 401 CB VAL A 24 -5.555 5.474 -3.457 1.00 60.34 C ATOM 402 CG1 VAL A 24 -5.353 6.936 -2.989 1.00 1.30 C ATOM 403 CG2 VAL A 24 -6.607 4.755 -2.583 1.00 25.54 C ATOM 0 H VAL A 24 -7.890 6.049 -4.632 1.00 3.45 H new ATOM 0 HA VAL A 24 -5.083 5.896 -5.524 1.00 30.13 H new ATOM 0 HB VAL A 24 -4.616 4.935 -3.329 1.00 60.34 H new ATOM 0 HG11 VAL A 24 -5.109 6.948 -1.927 1.00 1.30 H new ATOM 0 HG12 VAL A 24 -4.538 7.389 -3.553 1.00 1.30 H new ATOM 0 HG13 VAL A 24 -6.269 7.502 -3.157 1.00 1.30 H new ATOM 0 HG21 VAL A 24 -6.316 4.821 -1.535 1.00 25.54 H new ATOM 0 HG22 VAL A 24 -7.579 5.229 -2.720 1.00 25.54 H new ATOM 0 HG23 VAL A 24 -6.669 3.707 -2.877 1.00 25.54 H new ATOM 413 N GLU A 25 -4.954 3.377 -5.931 1.00 23.22 N ATOM 414 CA GLU A 25 -4.919 1.983 -6.408 1.00 22.53 C ATOM 415 C GLU A 25 -4.594 1.043 -5.238 1.00 74.31 C ATOM 416 O GLU A 25 -3.486 1.077 -4.691 1.00 43.34 O ATOM 417 CB GLU A 25 -3.884 1.855 -7.553 1.00 35.24 C ATOM 418 CG GLU A 25 -4.287 2.630 -8.828 1.00 13.24 C ATOM 419 CD GLU A 25 -3.200 2.633 -9.906 1.00 10.33 C ATOM 420 OE1 GLU A 25 -3.030 1.614 -10.619 1.00 34.32 O ATOM 421 OE2 GLU A 25 -2.479 3.649 -10.027 1.00 71.45 O ATOM 0 H GLU A 25 -4.053 3.852 -5.987 1.00 23.22 H new ATOM 0 HA GLU A 25 -5.894 1.697 -6.802 1.00 22.53 H new ATOM 0 HB2 GLU A 25 -2.918 2.220 -7.204 1.00 35.24 H new ATOM 0 HB3 GLU A 25 -3.755 0.802 -7.801 1.00 35.24 H new ATOM 0 HG2 GLU A 25 -5.195 2.190 -9.240 1.00 13.24 H new ATOM 0 HG3 GLU A 25 -4.525 3.659 -8.559 1.00 13.24 H new ATOM 428 N VAL A 26 -5.588 0.224 -4.853 1.00 62.41 N ATOM 429 CA VAL A 26 -5.497 -0.674 -3.698 1.00 55.31 C ATOM 430 C VAL A 26 -5.156 -2.093 -4.183 1.00 42.34 C ATOM 431 O VAL A 26 -5.984 -2.756 -4.814 1.00 21.41 O ATOM 432 CB VAL A 26 -6.837 -0.671 -2.867 1.00 33.03 C ATOM 433 CG1 VAL A 26 -6.715 -1.537 -1.589 1.00 72.54 C ATOM 434 CG2 VAL A 26 -7.254 0.778 -2.526 1.00 43.15 C ATOM 0 H VAL A 26 -6.482 0.169 -5.341 1.00 62.41 H new ATOM 0 HA VAL A 26 -4.706 -0.321 -3.037 1.00 55.31 H new ATOM 0 HB VAL A 26 -7.618 -1.117 -3.482 1.00 33.03 H new ATOM 0 HG11 VAL A 26 -7.657 -1.512 -1.041 1.00 72.54 H new ATOM 0 HG12 VAL A 26 -6.484 -2.565 -1.867 1.00 72.54 H new ATOM 0 HG13 VAL A 26 -5.918 -1.144 -0.958 1.00 72.54 H new ATOM 0 HG21 VAL A 26 -8.181 0.764 -1.952 1.00 43.15 H new ATOM 0 HG22 VAL A 26 -6.470 1.253 -1.937 1.00 43.15 H new ATOM 0 HG23 VAL A 26 -7.406 1.339 -3.448 1.00 43.15 H new ATOM 444 N ARG A 27 -3.913 -2.517 -3.909 1.00 34.43 N ATOM 445 CA ARG A 27 -3.374 -3.832 -4.271 1.00 51.45 C ATOM 446 C ARG A 27 -3.541 -4.817 -3.104 1.00 63.42 C ATOM 447 O ARG A 27 -3.092 -4.546 -1.988 1.00 50.04 O ATOM 448 CB ARG A 27 -1.871 -3.672 -4.646 1.00 41.00 C ATOM 449 CG ARG A 27 -1.629 -2.983 -6.009 1.00 41.24 C ATOM 450 CD ARG A 27 -2.201 -3.823 -7.168 1.00 22.44 C ATOM 451 NE ARG A 27 -1.999 -3.209 -8.486 1.00 60.41 N ATOM 452 CZ ARG A 27 -2.713 -3.514 -9.586 1.00 22.31 C ATOM 453 NH1 ARG A 27 -3.688 -4.428 -9.549 1.00 33.02 N ATOM 454 NH2 ARG A 27 -2.437 -2.902 -10.726 1.00 73.12 N ATOM 0 H ARG A 27 -3.237 -1.935 -3.415 1.00 34.43 H new ATOM 0 HA ARG A 27 -3.920 -4.232 -5.126 1.00 51.45 H new ATOM 0 HB2 ARG A 27 -1.373 -3.096 -3.866 1.00 41.00 H new ATOM 0 HB3 ARG A 27 -1.405 -4.657 -4.661 1.00 41.00 H new ATOM 0 HG2 ARG A 27 -2.093 -1.997 -6.008 1.00 41.24 H new ATOM 0 HG3 ARG A 27 -0.560 -2.833 -6.159 1.00 41.24 H new ATOM 0 HD2 ARG A 27 -1.734 -4.808 -7.158 1.00 22.44 H new ATOM 0 HD3 ARG A 27 -3.268 -3.975 -7.005 1.00 22.44 H new ATOM 0 HE ARG A 27 -1.268 -2.503 -8.574 1.00 60.41 H new ATOM 0 HH11 ARG A 27 -3.903 -4.909 -8.676 1.00 33.02 H new ATOM 0 HH12 ARG A 27 -4.217 -4.644 -10.394 1.00 33.02 H new ATOM 0 HH21 ARG A 27 -1.691 -2.208 -10.765 1.00 73.12 H new ATOM 0 HH22 ARG A 27 -2.971 -3.124 -11.566 1.00 73.12 H new ATOM 468 N LEU A 28 -4.198 -5.956 -3.377 1.00 55.24 N ATOM 469 CA LEU A 28 -4.372 -7.040 -2.406 1.00 55.30 C ATOM 470 C LEU A 28 -3.150 -7.970 -2.486 1.00 31.13 C ATOM 471 O LEU A 28 -2.857 -8.540 -3.543 1.00 61.31 O ATOM 472 CB LEU A 28 -5.678 -7.833 -2.689 1.00 30.33 C ATOM 473 CG LEU A 28 -6.029 -8.959 -1.655 1.00 14.35 C ATOM 474 CD1 LEU A 28 -6.322 -8.374 -0.262 1.00 3.21 C ATOM 475 CD2 LEU A 28 -7.196 -9.842 -2.144 1.00 70.33 C ATOM 0 H LEU A 28 -4.624 -6.148 -4.283 1.00 55.24 H new ATOM 0 HA LEU A 28 -4.454 -6.620 -1.403 1.00 55.30 H new ATOM 0 HB2 LEU A 28 -6.508 -7.128 -2.726 1.00 30.33 H new ATOM 0 HB3 LEU A 28 -5.599 -8.285 -3.678 1.00 30.33 H new ATOM 0 HG LEU A 28 -5.150 -9.598 -1.569 1.00 14.35 H new ATOM 0 HD11 LEU A 28 -6.561 -9.182 0.429 1.00 3.21 H new ATOM 0 HD12 LEU A 28 -5.445 -7.836 0.098 1.00 3.21 H new ATOM 0 HD13 LEU A 28 -7.167 -7.689 -0.326 1.00 3.21 H new ATOM 0 HD21 LEU A 28 -7.408 -10.610 -1.400 1.00 70.33 H new ATOM 0 HD22 LEU A 28 -8.082 -9.225 -2.292 1.00 70.33 H new ATOM 0 HD23 LEU A 28 -6.923 -10.316 -3.087 1.00 70.33 H new ATOM 487 N VAL A 29 -2.437 -8.083 -1.367 1.00 43.05 N ATOM 488 CA VAL A 29 -1.258 -8.933 -1.220 1.00 44.23 C ATOM 489 C VAL A 29 -1.549 -9.997 -0.158 1.00 14.45 C ATOM 490 O VAL A 29 -1.605 -9.697 1.033 1.00 12.11 O ATOM 491 CB VAL A 29 0.006 -8.066 -0.831 1.00 50.11 C ATOM 492 CG1 VAL A 29 1.233 -8.938 -0.460 1.00 32.42 C ATOM 493 CG2 VAL A 29 0.357 -7.079 -1.972 1.00 42.52 C ATOM 0 H VAL A 29 -2.670 -7.572 -0.515 1.00 43.05 H new ATOM 0 HA VAL A 29 -1.035 -9.424 -2.167 1.00 44.23 H new ATOM 0 HB VAL A 29 -0.257 -7.498 0.061 1.00 50.11 H new ATOM 0 HG11 VAL A 29 2.073 -8.293 -0.201 1.00 32.42 H new ATOM 0 HG12 VAL A 29 0.985 -9.571 0.392 1.00 32.42 H new ATOM 0 HG13 VAL A 29 1.505 -9.564 -1.310 1.00 32.42 H new ATOM 0 HG21 VAL A 29 1.229 -6.490 -1.688 1.00 42.52 H new ATOM 0 HG22 VAL A 29 0.577 -7.638 -2.882 1.00 42.52 H new ATOM 0 HG23 VAL A 29 -0.488 -6.414 -2.150 1.00 42.52 H new ATOM 503 N THR A 30 -1.791 -11.234 -0.609 1.00 62.50 N ATOM 504 CA THR A 30 -1.971 -12.395 0.281 1.00 54.03 C ATOM 505 C THR A 30 -0.699 -13.272 0.230 1.00 63.53 C ATOM 506 O THR A 30 -0.315 -13.900 1.224 1.00 12.50 O ATOM 507 CB THR A 30 -3.238 -13.224 -0.119 1.00 61.45 C ATOM 508 OG1 THR A 30 -3.168 -13.577 -1.511 1.00 42.02 O ATOM 509 CG2 THR A 30 -4.552 -12.452 0.145 1.00 51.25 C ATOM 0 H THR A 30 -1.868 -11.462 -1.600 1.00 62.50 H new ATOM 0 HA THR A 30 -2.126 -12.042 1.300 1.00 54.03 H new ATOM 0 HB THR A 30 -3.247 -14.120 0.501 1.00 61.45 H new ATOM 0 HG1 THR A 30 -3.962 -14.097 -1.757 1.00 42.02 H new ATOM 0 HG21 THR A 30 -5.402 -13.069 -0.149 1.00 51.25 H new ATOM 0 HG22 THR A 30 -4.627 -12.213 1.206 1.00 51.25 H new ATOM 0 HG23 THR A 30 -4.555 -11.530 -0.436 1.00 51.25 H new ATOM 517 N THR A 31 -0.035 -13.277 -0.948 1.00 75.23 N ATOM 518 CA THR A 31 1.240 -13.997 -1.174 1.00 55.11 C ATOM 519 C THR A 31 2.378 -12.996 -1.437 1.00 42.35 C ATOM 520 O THR A 31 2.130 -11.818 -1.733 1.00 73.45 O ATOM 521 CB THR A 31 1.144 -15.003 -2.374 1.00 63.41 C ATOM 522 OG1 THR A 31 0.848 -14.312 -3.594 1.00 24.45 O ATOM 523 CG2 THR A 31 0.077 -16.085 -2.139 1.00 32.41 C ATOM 0 H THR A 31 -0.370 -12.779 -1.773 1.00 75.23 H new ATOM 0 HA THR A 31 1.450 -14.569 -0.270 1.00 55.11 H new ATOM 0 HB THR A 31 2.116 -15.489 -2.451 1.00 63.41 H new ATOM 0 HG1 THR A 31 0.159 -13.635 -3.428 1.00 24.45 H new ATOM 0 HG21 THR A 31 0.047 -16.758 -2.996 1.00 32.41 H new ATOM 0 HG22 THR A 31 0.325 -16.651 -1.241 1.00 32.41 H new ATOM 0 HG23 THR A 31 -0.898 -15.614 -2.013 1.00 32.41 H new ATOM 531 N GLU A 32 3.624 -13.494 -1.337 1.00 75.42 N ATOM 532 CA GLU A 32 4.840 -12.700 -1.583 1.00 10.10 C ATOM 533 C GLU A 32 4.936 -12.296 -3.066 1.00 62.02 C ATOM 534 O GLU A 32 5.448 -11.223 -3.372 1.00 11.40 O ATOM 535 CB GLU A 32 6.089 -13.512 -1.160 1.00 32.01 C ATOM 536 CG GLU A 32 7.429 -12.765 -1.308 1.00 52.03 C ATOM 537 CD GLU A 32 8.634 -13.636 -0.931 1.00 33.01 C ATOM 538 OE1 GLU A 32 9.159 -14.351 -1.814 1.00 43.04 O ATOM 539 OE2 GLU A 32 9.047 -13.630 0.244 1.00 42.34 O ATOM 0 H GLU A 32 3.816 -14.463 -1.082 1.00 75.42 H new ATOM 0 HA GLU A 32 4.791 -11.788 -0.988 1.00 10.10 H new ATOM 0 HB2 GLU A 32 5.972 -13.816 -0.120 1.00 32.01 H new ATOM 0 HB3 GLU A 32 6.130 -14.424 -1.755 1.00 32.01 H new ATOM 0 HG2 GLU A 32 7.539 -12.425 -2.338 1.00 52.03 H new ATOM 0 HG3 GLU A 32 7.417 -11.876 -0.678 1.00 52.03 H new ATOM 546 N GLU A 33 4.426 -13.173 -3.971 1.00 72.32 N ATOM 547 CA GLU A 33 4.388 -12.917 -5.432 1.00 63.20 C ATOM 548 C GLU A 33 3.578 -11.643 -5.764 1.00 31.31 C ATOM 549 O GLU A 33 3.942 -10.894 -6.689 1.00 30.33 O ATOM 550 CB GLU A 33 3.801 -14.142 -6.188 1.00 31.51 C ATOM 551 CG GLU A 33 4.709 -15.386 -6.195 1.00 62.03 C ATOM 552 CD GLU A 33 4.123 -16.546 -7.022 1.00 30.32 C ATOM 553 OE1 GLU A 33 3.953 -16.382 -8.251 1.00 51.22 O ATOM 554 OE2 GLU A 33 3.856 -17.633 -6.460 1.00 41.22 O ATOM 0 H GLU A 33 4.031 -14.075 -3.706 1.00 72.32 H new ATOM 0 HA GLU A 33 5.414 -12.757 -5.764 1.00 63.20 H new ATOM 0 HB2 GLU A 33 2.846 -14.408 -5.735 1.00 31.51 H new ATOM 0 HB3 GLU A 33 3.596 -13.852 -7.219 1.00 31.51 H new ATOM 0 HG2 GLU A 33 5.685 -15.116 -6.597 1.00 62.03 H new ATOM 0 HG3 GLU A 33 4.868 -15.720 -5.170 1.00 62.03 H new ATOM 561 N ASP A 34 2.489 -11.406 -4.994 1.00 23.20 N ATOM 562 CA ASP A 34 1.681 -10.173 -5.100 1.00 43.10 C ATOM 563 C ASP A 34 2.536 -8.955 -4.729 1.00 63.14 C ATOM 564 O ASP A 34 2.594 -7.988 -5.487 1.00 3.11 O ATOM 565 CB ASP A 34 0.433 -10.210 -4.175 1.00 65.31 C ATOM 566 CG ASP A 34 -0.588 -11.303 -4.522 1.00 14.25 C ATOM 567 OD1 ASP A 34 -0.949 -11.438 -5.709 1.00 73.22 O ATOM 568 OD2 ASP A 34 -1.057 -12.022 -3.606 1.00 0.30 O ATOM 0 H ASP A 34 2.150 -12.060 -4.288 1.00 23.20 H new ATOM 0 HA ASP A 34 1.339 -10.100 -6.132 1.00 43.10 H new ATOM 0 HB2 ASP A 34 0.764 -10.354 -3.146 1.00 65.31 H new ATOM 0 HB3 ASP A 34 -0.064 -9.241 -4.218 1.00 65.31 H new ATOM 573 N ALA A 35 3.216 -9.055 -3.556 1.00 24.33 N ATOM 574 CA ALA A 35 4.089 -7.988 -3.016 1.00 35.23 C ATOM 575 C ALA A 35 5.207 -7.632 -4.005 1.00 54.34 C ATOM 576 O ALA A 35 5.572 -6.463 -4.124 1.00 64.11 O ATOM 577 CB ALA A 35 4.695 -8.402 -1.663 1.00 42.43 C ATOM 0 H ALA A 35 3.171 -9.881 -2.960 1.00 24.33 H new ATOM 0 HA ALA A 35 3.468 -7.105 -2.864 1.00 35.23 H new ATOM 0 HB1 ALA A 35 5.332 -7.600 -1.289 1.00 42.43 H new ATOM 0 HB2 ALA A 35 3.894 -8.592 -0.949 1.00 42.43 H new ATOM 0 HB3 ALA A 35 5.289 -9.307 -1.792 1.00 42.43 H new ATOM 583 N LYS A 36 5.727 -8.663 -4.708 1.00 60.21 N ATOM 584 CA LYS A 36 6.745 -8.499 -5.754 1.00 3.00 C ATOM 585 C LYS A 36 6.209 -7.646 -6.920 1.00 2.41 C ATOM 586 O LYS A 36 6.855 -6.675 -7.304 1.00 60.45 O ATOM 587 CB LYS A 36 7.225 -9.879 -6.275 1.00 30.42 C ATOM 588 CG LYS A 36 7.992 -10.731 -5.240 1.00 13.34 C ATOM 589 CD LYS A 36 8.527 -12.057 -5.840 1.00 34.22 C ATOM 590 CE LYS A 36 9.563 -11.838 -6.964 1.00 64.21 C ATOM 591 NZ LYS A 36 10.108 -13.119 -7.498 1.00 34.33 N ATOM 0 H LYS A 36 5.447 -9.633 -4.561 1.00 60.21 H new ATOM 0 HA LYS A 36 7.595 -7.979 -5.312 1.00 3.00 H new ATOM 0 HB2 LYS A 36 6.358 -10.443 -6.619 1.00 30.42 H new ATOM 0 HB3 LYS A 36 7.867 -9.721 -7.142 1.00 30.42 H new ATOM 0 HG2 LYS A 36 8.827 -10.152 -4.845 1.00 13.34 H new ATOM 0 HG3 LYS A 36 7.334 -10.955 -4.400 1.00 13.34 H new ATOM 0 HD2 LYS A 36 8.981 -12.651 -5.047 1.00 34.22 H new ATOM 0 HD3 LYS A 36 7.690 -12.635 -6.233 1.00 34.22 H new ATOM 0 HE2 LYS A 36 9.100 -11.278 -7.776 1.00 64.21 H new ATOM 0 HE3 LYS A 36 10.383 -11.229 -6.584 1.00 64.21 H new ATOM 0 HZ1 LYS A 36 10.798 -12.916 -8.249 1.00 34.33 H new ATOM 0 HZ2 LYS A 36 10.575 -13.644 -6.731 1.00 34.33 H new ATOM 0 HZ3 LYS A 36 9.332 -13.691 -7.887 1.00 34.33 H new ATOM 605 N GLN A 37 5.012 -8.013 -7.451 1.00 43.35 N ATOM 606 CA GLN A 37 4.365 -7.271 -8.565 1.00 55.32 C ATOM 607 C GLN A 37 4.079 -5.807 -8.175 1.00 40.43 C ATOM 608 O GLN A 37 4.185 -4.915 -9.019 1.00 70.43 O ATOM 609 CB GLN A 37 3.046 -7.952 -9.034 1.00 3.25 C ATOM 610 CG GLN A 37 3.232 -9.292 -9.764 1.00 43.11 C ATOM 611 CD GLN A 37 1.910 -9.875 -10.271 1.00 41.11 C ATOM 612 OE1 GLN A 37 1.238 -10.621 -9.563 1.00 33.12 O ATOM 613 NE2 GLN A 37 1.517 -9.537 -11.490 1.00 2.13 N ATOM 0 H GLN A 37 4.477 -8.818 -7.125 1.00 43.35 H new ATOM 0 HA GLN A 37 5.072 -7.286 -9.394 1.00 55.32 H new ATOM 0 HB2 GLN A 37 2.409 -8.114 -8.164 1.00 3.25 H new ATOM 0 HB3 GLN A 37 2.515 -7.266 -9.694 1.00 3.25 H new ATOM 0 HG2 GLN A 37 3.910 -9.152 -10.606 1.00 43.11 H new ATOM 0 HG3 GLN A 37 3.705 -10.006 -9.090 1.00 43.11 H new ATOM 0 HE21 GLN A 37 2.093 -8.916 -12.058 1.00 2.13 H new ATOM 0 HE22 GLN A 37 0.638 -9.898 -11.861 1.00 2.13 H new ATOM 622 N VAL A 38 3.715 -5.584 -6.895 1.00 44.12 N ATOM 623 CA VAL A 38 3.497 -4.234 -6.347 1.00 34.41 C ATOM 624 C VAL A 38 4.818 -3.442 -6.357 1.00 74.23 C ATOM 625 O VAL A 38 4.846 -2.328 -6.848 1.00 51.32 O ATOM 626 CB VAL A 38 2.886 -4.283 -4.893 1.00 73.24 C ATOM 627 CG1 VAL A 38 2.690 -2.865 -4.307 1.00 12.23 C ATOM 628 CG2 VAL A 38 1.551 -5.064 -4.886 1.00 42.50 C ATOM 0 H VAL A 38 3.565 -6.332 -6.218 1.00 44.12 H new ATOM 0 HA VAL A 38 2.772 -3.726 -6.983 1.00 34.41 H new ATOM 0 HB VAL A 38 3.599 -4.807 -4.256 1.00 73.24 H new ATOM 0 HG11 VAL A 38 2.267 -2.941 -3.305 1.00 12.23 H new ATOM 0 HG12 VAL A 38 3.652 -2.356 -4.258 1.00 12.23 H new ATOM 0 HG13 VAL A 38 2.012 -2.298 -4.945 1.00 12.23 H new ATOM 0 HG21 VAL A 38 1.147 -5.085 -3.874 1.00 42.50 H new ATOM 0 HG22 VAL A 38 0.839 -4.574 -5.550 1.00 42.50 H new ATOM 0 HG23 VAL A 38 1.724 -6.084 -5.229 1.00 42.50 H new ATOM 638 N ILE A 39 5.908 -4.068 -5.867 1.00 54.31 N ATOM 639 CA ILE A 39 7.263 -3.468 -5.817 1.00 34.52 C ATOM 640 C ILE A 39 7.743 -3.037 -7.222 1.00 40.13 C ATOM 641 O ILE A 39 8.279 -1.933 -7.384 1.00 32.23 O ATOM 642 CB ILE A 39 8.288 -4.473 -5.138 1.00 30.53 C ATOM 643 CG1 ILE A 39 8.056 -4.517 -3.594 1.00 62.43 C ATOM 644 CG2 ILE A 39 9.767 -4.156 -5.476 1.00 34.33 C ATOM 645 CD1 ILE A 39 8.890 -5.536 -2.838 1.00 12.45 C ATOM 0 H ILE A 39 5.875 -5.015 -5.490 1.00 54.31 H new ATOM 0 HA ILE A 39 7.213 -2.567 -5.206 1.00 34.52 H new ATOM 0 HB ILE A 39 8.092 -5.460 -5.556 1.00 30.53 H new ATOM 0 HG12 ILE A 39 8.263 -3.528 -3.185 1.00 62.43 H new ATOM 0 HG13 ILE A 39 7.002 -4.725 -3.408 1.00 62.43 H new ATOM 0 HG21 ILE A 39 10.416 -4.879 -4.982 1.00 34.33 H new ATOM 0 HG22 ILE A 39 9.914 -4.214 -6.554 1.00 34.33 H new ATOM 0 HG23 ILE A 39 10.012 -3.152 -5.130 1.00 34.33 H new ATOM 0 HD11 ILE A 39 8.652 -5.484 -1.775 1.00 12.45 H new ATOM 0 HD12 ILE A 39 8.669 -6.536 -3.211 1.00 12.45 H new ATOM 0 HD13 ILE A 39 9.948 -5.320 -2.984 1.00 12.45 H new ATOM 657 N LYS A 40 7.504 -3.902 -8.229 1.00 25.43 N ATOM 658 CA LYS A 40 7.859 -3.621 -9.636 1.00 11.34 C ATOM 659 C LYS A 40 7.012 -2.452 -10.176 1.00 23.50 C ATOM 660 O LYS A 40 7.528 -1.565 -10.851 1.00 53.22 O ATOM 661 CB LYS A 40 7.655 -4.878 -10.530 1.00 30.23 C ATOM 662 CG LYS A 40 8.371 -6.156 -10.045 1.00 74.53 C ATOM 663 CD LYS A 40 9.892 -5.989 -9.865 1.00 70.32 C ATOM 664 CE LYS A 40 10.633 -5.704 -11.177 1.00 4.10 C ATOM 665 NZ LYS A 40 12.085 -5.493 -10.945 1.00 71.31 N ATOM 0 H LYS A 40 7.062 -4.811 -8.091 1.00 25.43 H new ATOM 0 HA LYS A 40 8.913 -3.347 -9.667 1.00 11.34 H new ATOM 0 HB2 LYS A 40 6.587 -5.084 -10.600 1.00 30.23 H new ATOM 0 HB3 LYS A 40 8.002 -4.647 -11.537 1.00 30.23 H new ATOM 0 HG2 LYS A 40 7.935 -6.467 -9.096 1.00 74.53 H new ATOM 0 HG3 LYS A 40 8.185 -6.958 -10.759 1.00 74.53 H new ATOM 0 HD2 LYS A 40 10.080 -5.174 -9.166 1.00 70.32 H new ATOM 0 HD3 LYS A 40 10.299 -6.895 -9.416 1.00 70.32 H new ATOM 0 HE2 LYS A 40 10.490 -6.537 -11.865 1.00 4.10 H new ATOM 0 HE3 LYS A 40 10.207 -4.821 -11.653 1.00 4.10 H new ATOM 0 HZ1 LYS A 40 12.557 -5.303 -11.852 1.00 71.31 H new ATOM 0 HZ2 LYS A 40 12.221 -4.683 -10.307 1.00 71.31 H new ATOM 0 HZ3 LYS A 40 12.495 -6.346 -10.513 1.00 71.31 H new ATOM 679 N GLU A 41 5.709 -2.470 -9.824 1.00 73.12 N ATOM 680 CA GLU A 41 4.730 -1.441 -10.223 1.00 51.15 C ATOM 681 C GLU A 41 5.123 -0.067 -9.657 1.00 12.30 C ATOM 682 O GLU A 41 5.035 0.930 -10.358 1.00 64.44 O ATOM 683 CB GLU A 41 3.316 -1.843 -9.725 1.00 2.14 C ATOM 684 CG GLU A 41 2.214 -0.801 -9.982 1.00 65.52 C ATOM 685 CD GLU A 41 0.830 -1.245 -9.500 1.00 44.33 C ATOM 686 OE1 GLU A 41 0.249 -2.148 -10.129 1.00 45.52 O ATOM 687 OE2 GLU A 41 0.290 -0.660 -8.527 1.00 45.02 O ATOM 0 H GLU A 41 5.304 -3.208 -9.248 1.00 73.12 H new ATOM 0 HA GLU A 41 4.721 -1.370 -11.311 1.00 51.15 H new ATOM 0 HB2 GLU A 41 3.030 -2.778 -10.207 1.00 2.14 H new ATOM 0 HB3 GLU A 41 3.367 -2.039 -8.654 1.00 2.14 H new ATOM 0 HG2 GLU A 41 2.482 0.130 -9.483 1.00 65.52 H new ATOM 0 HG3 GLU A 41 2.167 -0.589 -11.050 1.00 65.52 H new ATOM 694 N ILE A 42 5.572 -0.060 -8.390 1.00 53.24 N ATOM 695 CA ILE A 42 6.013 1.148 -7.671 1.00 12.31 C ATOM 696 C ILE A 42 7.169 1.837 -8.434 1.00 41.12 C ATOM 697 O ILE A 42 7.176 3.059 -8.608 1.00 33.01 O ATOM 698 CB ILE A 42 6.437 0.786 -6.187 1.00 41.23 C ATOM 699 CG1 ILE A 42 5.206 0.307 -5.346 1.00 54.13 C ATOM 700 CG2 ILE A 42 7.131 1.967 -5.478 1.00 11.31 C ATOM 701 CD1 ILE A 42 5.562 -0.384 -4.032 1.00 42.32 C ATOM 0 H ILE A 42 5.640 -0.908 -7.827 1.00 53.24 H new ATOM 0 HA ILE A 42 5.180 1.850 -7.619 1.00 12.31 H new ATOM 0 HB ILE A 42 7.154 -0.032 -6.259 1.00 41.23 H new ATOM 0 HG12 ILE A 42 4.574 1.168 -5.128 1.00 54.13 H new ATOM 0 HG13 ILE A 42 4.613 -0.378 -5.952 1.00 54.13 H new ATOM 0 HG21 ILE A 42 7.404 1.673 -4.464 1.00 11.31 H new ATOM 0 HG22 ILE A 42 8.029 2.245 -6.029 1.00 11.31 H new ATOM 0 HG23 ILE A 42 6.451 2.818 -5.439 1.00 11.31 H new ATOM 0 HD11 ILE A 42 4.648 -0.681 -3.518 1.00 42.32 H new ATOM 0 HD12 ILE A 42 6.166 -1.268 -4.238 1.00 42.32 H new ATOM 0 HD13 ILE A 42 6.127 0.303 -3.401 1.00 42.32 H new ATOM 713 N GLN A 43 8.113 1.018 -8.925 1.00 54.24 N ATOM 714 CA GLN A 43 9.294 1.490 -9.678 1.00 21.31 C ATOM 715 C GLN A 43 8.893 2.024 -11.075 1.00 14.04 C ATOM 716 O GLN A 43 9.334 3.105 -11.490 1.00 3.12 O ATOM 717 CB GLN A 43 10.323 0.337 -9.792 1.00 73.44 C ATOM 718 CG GLN A 43 10.825 -0.177 -8.420 1.00 72.31 C ATOM 719 CD GLN A 43 11.793 -1.356 -8.512 1.00 13.13 C ATOM 720 OE1 GLN A 43 12.571 -1.473 -9.458 1.00 13.14 O ATOM 721 NE2 GLN A 43 11.755 -2.239 -7.522 1.00 24.22 N ATOM 0 H GLN A 43 8.081 0.005 -8.812 1.00 54.24 H new ATOM 0 HA GLN A 43 9.749 2.321 -9.139 1.00 21.31 H new ATOM 0 HB2 GLN A 43 9.871 -0.491 -10.339 1.00 73.44 H new ATOM 0 HB3 GLN A 43 11.176 0.678 -10.378 1.00 73.44 H new ATOM 0 HG2 GLN A 43 11.316 0.642 -7.895 1.00 72.31 H new ATOM 0 HG3 GLN A 43 9.966 -0.472 -7.818 1.00 72.31 H new ATOM 0 HE21 GLN A 43 11.098 -2.114 -6.752 1.00 24.22 H new ATOM 0 HE22 GLN A 43 12.383 -3.043 -7.531 1.00 24.22 H new ATOM 730 N LYS A 44 8.021 1.264 -11.761 1.00 2.53 N ATOM 731 CA LYS A 44 7.553 1.569 -13.134 1.00 30.22 C ATOM 732 C LYS A 44 6.657 2.825 -13.189 1.00 22.00 C ATOM 733 O LYS A 44 6.729 3.608 -14.142 1.00 15.32 O ATOM 734 CB LYS A 44 6.772 0.348 -13.692 1.00 54.42 C ATOM 735 CG LYS A 44 7.632 -0.904 -13.978 1.00 10.10 C ATOM 736 CD LYS A 44 8.576 -0.743 -15.190 1.00 52.05 C ATOM 737 CE LYS A 44 7.813 -0.583 -16.518 1.00 2.44 C ATOM 738 NZ LYS A 44 6.876 -1.714 -16.778 1.00 24.34 N ATOM 0 H LYS A 44 7.614 0.411 -11.378 1.00 2.53 H new ATOM 0 HA LYS A 44 8.433 1.774 -13.743 1.00 30.22 H new ATOM 0 HB2 LYS A 44 5.992 0.079 -12.980 1.00 54.42 H new ATOM 0 HB3 LYS A 44 6.273 0.646 -14.614 1.00 54.42 H new ATOM 0 HG2 LYS A 44 8.226 -1.136 -13.094 1.00 10.10 H new ATOM 0 HG3 LYS A 44 6.973 -1.755 -14.152 1.00 10.10 H new ATOM 0 HD2 LYS A 44 9.215 0.127 -15.035 1.00 52.05 H new ATOM 0 HD3 LYS A 44 9.231 -1.612 -15.254 1.00 52.05 H new ATOM 0 HE2 LYS A 44 7.253 0.352 -16.501 1.00 2.44 H new ATOM 0 HE3 LYS A 44 8.528 -0.512 -17.338 1.00 2.44 H new ATOM 0 HZ1 LYS A 44 6.528 -1.659 -17.757 1.00 24.34 H new ATOM 0 HZ2 LYS A 44 7.374 -2.616 -16.638 1.00 24.34 H new ATOM 0 HZ3 LYS A 44 6.072 -1.656 -16.121 1.00 24.34 H new ATOM 752 N LYS A 45 5.815 2.983 -12.169 1.00 21.50 N ATOM 753 CA LYS A 45 4.819 4.063 -12.071 1.00 15.24 C ATOM 754 C LYS A 45 5.444 5.324 -11.437 1.00 73.04 C ATOM 755 O LYS A 45 4.969 6.442 -11.660 1.00 33.44 O ATOM 756 CB LYS A 45 3.635 3.531 -11.225 1.00 13.33 C ATOM 757 CG LYS A 45 2.434 4.480 -11.045 1.00 11.53 C ATOM 758 CD LYS A 45 1.312 3.840 -10.192 1.00 21.30 C ATOM 759 CE LYS A 45 0.749 2.545 -10.800 1.00 73.05 C ATOM 760 NZ LYS A 45 -0.177 1.842 -9.870 1.00 25.21 N ATOM 0 H LYS A 45 5.801 2.353 -11.367 1.00 21.50 H new ATOM 0 HA LYS A 45 4.466 4.352 -13.061 1.00 15.24 H new ATOM 0 HB2 LYS A 45 3.276 2.610 -11.684 1.00 13.33 H new ATOM 0 HB3 LYS A 45 4.013 3.269 -10.237 1.00 13.33 H new ATOM 0 HG2 LYS A 45 2.769 5.402 -10.570 1.00 11.53 H new ATOM 0 HG3 LYS A 45 2.036 4.751 -12.023 1.00 11.53 H new ATOM 0 HD2 LYS A 45 1.699 3.627 -9.196 1.00 21.30 H new ATOM 0 HD3 LYS A 45 0.502 4.559 -10.072 1.00 21.30 H new ATOM 0 HE2 LYS A 45 0.223 2.779 -11.725 1.00 73.05 H new ATOM 0 HE3 LYS A 45 1.573 1.880 -11.061 1.00 73.05 H new ATOM 0 HZ1 LYS A 45 -0.901 1.335 -10.418 1.00 25.21 H new ATOM 0 HZ2 LYS A 45 0.360 1.163 -9.293 1.00 25.21 H new ATOM 0 HZ3 LYS A 45 -0.638 2.537 -9.248 1.00 25.21 H new ATOM 774 N GLY A 46 6.530 5.122 -10.664 1.00 14.24 N ATOM 775 CA GLY A 46 7.234 6.221 -9.993 1.00 32.42 C ATOM 776 C GLY A 46 6.542 6.660 -8.709 1.00 52.10 C ATOM 777 O GLY A 46 6.530 7.852 -8.368 1.00 31.23 O ATOM 0 H GLY A 46 6.936 4.202 -10.492 1.00 14.24 H new ATOM 0 HA2 GLY A 46 8.253 5.909 -9.764 1.00 32.42 H new ATOM 0 HA3 GLY A 46 7.305 7.071 -10.672 1.00 32.42 H new ATOM 781 N VAL A 47 5.975 5.674 -7.994 1.00 12.40 N ATOM 782 CA VAL A 47 5.232 5.885 -6.740 1.00 22.04 C ATOM 783 C VAL A 47 6.204 6.350 -5.644 1.00 21.13 C ATOM 784 O VAL A 47 7.281 5.779 -5.494 1.00 1.04 O ATOM 785 CB VAL A 47 4.524 4.558 -6.287 1.00 53.44 C ATOM 786 CG1 VAL A 47 3.724 4.726 -4.980 1.00 62.34 C ATOM 787 CG2 VAL A 47 3.643 3.990 -7.408 1.00 3.04 C ATOM 0 H VAL A 47 6.020 4.694 -8.275 1.00 12.40 H new ATOM 0 HA VAL A 47 4.470 6.646 -6.907 1.00 22.04 H new ATOM 0 HB VAL A 47 5.315 3.839 -6.076 1.00 53.44 H new ATOM 0 HG11 VAL A 47 3.256 3.778 -4.715 1.00 62.34 H new ATOM 0 HG12 VAL A 47 4.396 5.035 -4.179 1.00 62.34 H new ATOM 0 HG13 VAL A 47 2.953 5.484 -5.120 1.00 62.34 H new ATOM 0 HG21 VAL A 47 3.166 3.072 -7.066 1.00 3.04 H new ATOM 0 HG22 VAL A 47 2.878 4.719 -7.674 1.00 3.04 H new ATOM 0 HG23 VAL A 47 4.259 3.775 -8.281 1.00 3.04 H new ATOM 797 N GLN A 48 5.817 7.393 -4.911 1.00 20.53 N ATOM 798 CA GLN A 48 6.667 8.013 -3.875 1.00 34.22 C ATOM 799 C GLN A 48 6.310 7.470 -2.481 1.00 31.44 C ATOM 800 O GLN A 48 7.190 7.119 -1.684 1.00 33.42 O ATOM 801 CB GLN A 48 6.496 9.555 -3.944 1.00 54.21 C ATOM 802 CG GLN A 48 6.922 10.160 -5.306 1.00 25.01 C ATOM 803 CD GLN A 48 6.718 11.672 -5.406 1.00 64.20 C ATOM 804 OE1 GLN A 48 5.818 12.241 -4.783 1.00 42.22 O ATOM 805 NE2 GLN A 48 7.525 12.333 -6.221 1.00 43.23 N ATOM 0 H GLN A 48 4.905 7.838 -5.013 1.00 20.53 H new ATOM 0 HA GLN A 48 7.712 7.763 -4.057 1.00 34.22 H new ATOM 0 HB2 GLN A 48 5.453 9.807 -3.753 1.00 54.21 H new ATOM 0 HB3 GLN A 48 7.085 10.015 -3.150 1.00 54.21 H new ATOM 0 HG2 GLN A 48 7.974 9.933 -5.479 1.00 25.01 H new ATOM 0 HG3 GLN A 48 6.356 9.674 -6.101 1.00 25.01 H new ATOM 0 HE21 GLN A 48 8.261 11.836 -6.723 1.00 43.23 H new ATOM 0 HE22 GLN A 48 7.411 13.339 -6.346 1.00 43.23 H new ATOM 814 N LYS A 49 5.001 7.414 -2.199 1.00 61.33 N ATOM 815 CA LYS A 49 4.461 6.933 -0.917 1.00 23.34 C ATOM 816 C LYS A 49 3.562 5.707 -1.140 1.00 12.24 C ATOM 817 O LYS A 49 2.755 5.687 -2.074 1.00 23.12 O ATOM 818 CB LYS A 49 3.661 8.073 -0.235 1.00 10.20 C ATOM 819 CG LYS A 49 4.520 9.281 0.187 1.00 53.15 C ATOM 820 CD LYS A 49 3.674 10.439 0.763 1.00 3.01 C ATOM 821 CE LYS A 49 4.534 11.468 1.515 1.00 3.53 C ATOM 822 NZ LYS A 49 5.613 12.058 0.676 1.00 14.35 N ATOM 0 H LYS A 49 4.280 7.704 -2.859 1.00 61.33 H new ATOM 0 HA LYS A 49 5.286 6.636 -0.269 1.00 23.34 H new ATOM 0 HB2 LYS A 49 2.883 8.415 -0.918 1.00 10.20 H new ATOM 0 HB3 LYS A 49 3.159 7.673 0.646 1.00 10.20 H new ATOM 0 HG2 LYS A 49 5.248 8.962 0.933 1.00 53.15 H new ATOM 0 HG3 LYS A 49 5.083 9.641 -0.674 1.00 53.15 H new ATOM 0 HD2 LYS A 49 3.142 10.936 -0.048 1.00 3.01 H new ATOM 0 HD3 LYS A 49 2.920 10.035 1.439 1.00 3.01 H new ATOM 0 HE2 LYS A 49 3.892 12.268 1.884 1.00 3.53 H new ATOM 0 HE3 LYS A 49 4.981 10.990 2.387 1.00 3.53 H new ATOM 0 HZ1 LYS A 49 5.607 13.093 0.780 1.00 14.35 H new ATOM 0 HZ2 LYS A 49 6.534 11.685 0.982 1.00 14.35 H new ATOM 0 HZ3 LYS A 49 5.453 11.809 -0.321 1.00 14.35 H new ATOM 836 N VAL A 50 3.722 4.686 -0.280 1.00 60.20 N ATOM 837 CA VAL A 50 2.908 3.455 -0.293 1.00 3.24 C ATOM 838 C VAL A 50 2.316 3.233 1.113 1.00 34.22 C ATOM 839 O VAL A 50 3.067 3.113 2.093 1.00 21.14 O ATOM 840 CB VAL A 50 3.769 2.203 -0.730 1.00 14.14 C ATOM 841 CG1 VAL A 50 2.934 0.898 -0.735 1.00 53.21 C ATOM 842 CG2 VAL A 50 4.418 2.443 -2.111 1.00 2.40 C ATOM 0 H VAL A 50 4.430 4.692 0.454 1.00 60.20 H new ATOM 0 HA VAL A 50 2.104 3.570 -1.020 1.00 3.24 H new ATOM 0 HB VAL A 50 4.560 2.078 0.010 1.00 14.14 H new ATOM 0 HG11 VAL A 50 3.565 0.064 -1.041 1.00 53.21 H new ATOM 0 HG12 VAL A 50 2.545 0.711 0.266 1.00 53.21 H new ATOM 0 HG13 VAL A 50 2.103 1.000 -1.433 1.00 53.21 H new ATOM 0 HG21 VAL A 50 5.006 1.570 -2.393 1.00 2.40 H new ATOM 0 HG22 VAL A 50 3.639 2.612 -2.855 1.00 2.40 H new ATOM 0 HG23 VAL A 50 5.067 3.317 -2.061 1.00 2.40 H new ATOM 852 N VAL A 51 0.971 3.198 1.206 1.00 73.24 N ATOM 853 CA VAL A 51 0.254 2.968 2.473 1.00 4.44 C ATOM 854 C VAL A 51 0.071 1.460 2.692 1.00 3.01 C ATOM 855 O VAL A 51 -0.718 0.829 1.996 1.00 2.31 O ATOM 856 CB VAL A 51 -1.164 3.648 2.493 1.00 62.33 C ATOM 857 CG1 VAL A 51 -1.844 3.465 3.862 1.00 63.44 C ATOM 858 CG2 VAL A 51 -1.093 5.131 2.119 1.00 31.21 C ATOM 0 H VAL A 51 0.354 3.328 0.405 1.00 73.24 H new ATOM 0 HA VAL A 51 0.856 3.412 3.266 1.00 4.44 H new ATOM 0 HB VAL A 51 -1.770 3.149 1.737 1.00 62.33 H new ATOM 0 HG11 VAL A 51 -2.823 3.944 3.849 1.00 63.44 H new ATOM 0 HG12 VAL A 51 -1.963 2.402 4.070 1.00 63.44 H new ATOM 0 HG13 VAL A 51 -1.228 3.919 4.638 1.00 63.44 H new ATOM 0 HG21 VAL A 51 -2.094 5.561 2.145 1.00 31.21 H new ATOM 0 HG22 VAL A 51 -0.454 5.655 2.830 1.00 31.21 H new ATOM 0 HG23 VAL A 51 -0.680 5.234 1.115 1.00 31.21 H new ATOM 868 N LEU A 52 0.790 0.898 3.652 1.00 42.10 N ATOM 869 CA LEU A 52 0.728 -0.531 3.967 1.00 43.01 C ATOM 870 C LEU A 52 -0.274 -0.777 5.117 1.00 63.24 C ATOM 871 O LEU A 52 0.079 -0.672 6.300 1.00 1.05 O ATOM 872 CB LEU A 52 2.153 -1.004 4.334 1.00 23.34 C ATOM 873 CG LEU A 52 3.218 -0.883 3.197 1.00 44.13 C ATOM 874 CD1 LEU A 52 4.628 -1.126 3.730 1.00 32.45 C ATOM 875 CD2 LEU A 52 2.915 -1.832 2.029 1.00 43.00 C ATOM 0 H LEU A 52 1.439 1.420 4.241 1.00 42.10 H new ATOM 0 HA LEU A 52 0.375 -1.102 3.109 1.00 43.01 H new ATOM 0 HB2 LEU A 52 2.498 -0.428 5.193 1.00 23.34 H new ATOM 0 HB3 LEU A 52 2.101 -2.046 4.649 1.00 23.34 H new ATOM 0 HG LEU A 52 3.165 0.138 2.820 1.00 44.13 H new ATOM 0 HD11 LEU A 52 5.346 -1.035 2.915 1.00 32.45 H new ATOM 0 HD12 LEU A 52 4.858 -0.390 4.500 1.00 32.45 H new ATOM 0 HD13 LEU A 52 4.688 -2.127 4.156 1.00 32.45 H new ATOM 0 HD21 LEU A 52 3.678 -1.717 1.260 1.00 43.00 H new ATOM 0 HD22 LEU A 52 2.913 -2.861 2.388 1.00 43.00 H new ATOM 0 HD23 LEU A 52 1.938 -1.592 1.609 1.00 43.00 H new ATOM 887 N VAL A 53 -1.529 -1.079 4.740 1.00 24.12 N ATOM 888 CA VAL A 53 -2.628 -1.350 5.678 1.00 12.51 C ATOM 889 C VAL A 53 -2.651 -2.844 6.064 1.00 41.34 C ATOM 890 O VAL A 53 -3.049 -3.704 5.264 1.00 3.42 O ATOM 891 CB VAL A 53 -4.029 -0.920 5.082 1.00 1.14 C ATOM 892 CG1 VAL A 53 -5.171 -1.085 6.121 1.00 32.32 C ATOM 893 CG2 VAL A 53 -3.984 0.526 4.537 1.00 14.54 C ATOM 0 H VAL A 53 -1.810 -1.142 3.762 1.00 24.12 H new ATOM 0 HA VAL A 53 -2.449 -0.752 6.571 1.00 12.51 H new ATOM 0 HB VAL A 53 -4.244 -1.589 4.249 1.00 1.14 H new ATOM 0 HG11 VAL A 53 -6.117 -0.779 5.674 1.00 32.32 H new ATOM 0 HG12 VAL A 53 -5.235 -2.129 6.428 1.00 32.32 H new ATOM 0 HG13 VAL A 53 -4.964 -0.463 6.992 1.00 32.32 H new ATOM 0 HG21 VAL A 53 -4.961 0.793 4.134 1.00 14.54 H new ATOM 0 HG22 VAL A 53 -3.724 1.211 5.344 1.00 14.54 H new ATOM 0 HG23 VAL A 53 -3.235 0.594 3.748 1.00 14.54 H new ATOM 903 N GLY A 54 -2.190 -3.122 7.297 1.00 62.10 N ATOM 904 CA GLY A 54 -2.243 -4.453 7.898 1.00 51.45 C ATOM 905 C GLY A 54 -1.361 -5.491 7.210 1.00 31.14 C ATOM 906 O GLY A 54 -1.816 -6.597 6.924 1.00 51.24 O ATOM 0 H GLY A 54 -1.768 -2.419 7.903 1.00 62.10 H new ATOM 0 HA2 GLY A 54 -1.946 -4.378 8.944 1.00 51.45 H new ATOM 0 HA3 GLY A 54 -3.275 -4.804 7.884 1.00 51.45 H new ATOM 910 N VAL A 55 -0.088 -5.144 6.965 1.00 14.21 N ATOM 911 CA VAL A 55 0.895 -6.064 6.342 1.00 53.14 C ATOM 912 C VAL A 55 1.841 -6.624 7.421 1.00 32.22 C ATOM 913 O VAL A 55 1.822 -6.161 8.575 1.00 41.15 O ATOM 914 CB VAL A 55 1.724 -5.345 5.203 1.00 64.05 C ATOM 915 CG1 VAL A 55 0.784 -4.731 4.132 1.00 43.23 C ATOM 916 CG2 VAL A 55 2.699 -4.287 5.780 1.00 61.54 C ATOM 0 H VAL A 55 0.294 -4.225 7.189 1.00 14.21 H new ATOM 0 HA VAL A 55 0.346 -6.885 5.880 1.00 53.14 H new ATOM 0 HB VAL A 55 2.334 -6.104 4.713 1.00 64.05 H new ATOM 0 HG11 VAL A 55 1.380 -4.243 3.361 1.00 43.23 H new ATOM 0 HG12 VAL A 55 0.183 -5.520 3.680 1.00 43.23 H new ATOM 0 HG13 VAL A 55 0.128 -3.998 4.601 1.00 43.23 H new ATOM 0 HG21 VAL A 55 3.249 -3.816 4.965 1.00 61.54 H new ATOM 0 HG22 VAL A 55 2.134 -3.529 6.322 1.00 61.54 H new ATOM 0 HG23 VAL A 55 3.401 -4.771 6.459 1.00 61.54 H new ATOM 926 N SER A 56 2.651 -7.628 7.056 1.00 4.34 N ATOM 927 CA SER A 56 3.740 -8.101 7.923 1.00 21.23 C ATOM 928 C SER A 56 4.939 -7.144 7.767 1.00 52.41 C ATOM 929 O SER A 56 5.109 -6.530 6.705 1.00 63.53 O ATOM 930 CB SER A 56 4.140 -9.554 7.561 1.00 33.24 C ATOM 931 OG SER A 56 4.603 -9.656 6.225 1.00 23.12 O ATOM 0 H SER A 56 2.573 -8.127 6.170 1.00 4.34 H new ATOM 0 HA SER A 56 3.409 -8.106 8.961 1.00 21.23 H new ATOM 0 HB2 SER A 56 4.918 -9.897 8.242 1.00 33.24 H new ATOM 0 HB3 SER A 56 3.282 -10.212 7.700 1.00 33.24 H new ATOM 0 HG SER A 56 4.847 -10.586 6.034 1.00 23.12 H new ATOM 937 N GLU A 57 5.757 -7.027 8.828 1.00 32.31 N ATOM 938 CA GLU A 57 6.960 -6.161 8.841 1.00 64.24 C ATOM 939 C GLU A 57 8.017 -6.629 7.825 1.00 65.20 C ATOM 940 O GLU A 57 8.858 -5.840 7.402 1.00 71.30 O ATOM 941 CB GLU A 57 7.574 -6.110 10.256 1.00 72.11 C ATOM 942 CG GLU A 57 6.634 -5.539 11.330 1.00 42.14 C ATOM 943 CD GLU A 57 7.334 -5.399 12.683 1.00 72.11 C ATOM 944 OE1 GLU A 57 7.466 -6.412 13.406 1.00 31.21 O ATOM 945 OE2 GLU A 57 7.776 -4.281 13.031 1.00 13.23 O ATOM 0 H GLU A 57 5.607 -7.529 9.703 1.00 32.31 H new ATOM 0 HA GLU A 57 6.640 -5.160 8.551 1.00 64.24 H new ATOM 0 HB2 GLU A 57 7.871 -7.117 10.548 1.00 72.11 H new ATOM 0 HB3 GLU A 57 8.481 -5.506 10.225 1.00 72.11 H new ATOM 0 HG2 GLU A 57 6.265 -4.565 11.009 1.00 42.14 H new ATOM 0 HG3 GLU A 57 5.766 -6.189 11.436 1.00 42.14 H new ATOM 952 N LYS A 58 7.960 -7.927 7.464 1.00 55.13 N ATOM 953 CA LYS A 58 8.801 -8.508 6.406 1.00 30.23 C ATOM 954 C LYS A 58 8.423 -7.902 5.040 1.00 34.24 C ATOM 955 O LYS A 58 9.307 -7.510 4.277 1.00 51.42 O ATOM 956 CB LYS A 58 8.666 -10.057 6.383 1.00 11.11 C ATOM 957 CG LYS A 58 9.220 -10.776 7.639 1.00 25.20 C ATOM 958 CD LYS A 58 9.053 -12.318 7.575 1.00 14.14 C ATOM 959 CE LYS A 58 7.583 -12.777 7.662 1.00 42.31 C ATOM 960 NZ LYS A 58 6.985 -12.486 8.995 1.00 33.03 N ATOM 0 H LYS A 58 7.329 -8.599 7.900 1.00 55.13 H new ATOM 0 HA LYS A 58 9.843 -8.268 6.616 1.00 30.23 H new ATOM 0 HB2 LYS A 58 7.613 -10.314 6.269 1.00 11.11 H new ATOM 0 HB3 LYS A 58 9.185 -10.440 5.504 1.00 11.11 H new ATOM 0 HG2 LYS A 58 10.277 -10.534 7.753 1.00 25.20 H new ATOM 0 HG3 LYS A 58 8.709 -10.397 8.524 1.00 25.20 H new ATOM 0 HD2 LYS A 58 9.486 -12.685 6.645 1.00 14.14 H new ATOM 0 HD3 LYS A 58 9.617 -12.772 8.390 1.00 14.14 H new ATOM 0 HE2 LYS A 58 7.001 -12.278 6.887 1.00 42.31 H new ATOM 0 HE3 LYS A 58 7.525 -13.847 7.465 1.00 42.31 H new ATOM 0 HZ1 LYS A 58 6.039 -12.914 9.052 1.00 33.03 H new ATOM 0 HZ2 LYS A 58 7.591 -12.883 9.741 1.00 33.03 H new ATOM 0 HZ3 LYS A 58 6.907 -11.457 9.123 1.00 33.03 H new ATOM 974 N LEU A 59 7.096 -7.799 4.766 1.00 35.52 N ATOM 975 CA LEU A 59 6.583 -7.165 3.531 1.00 23.41 C ATOM 976 C LEU A 59 6.864 -5.654 3.553 1.00 63.45 C ATOM 977 O LEU A 59 7.217 -5.079 2.531 1.00 65.31 O ATOM 978 CB LEU A 59 5.055 -7.421 3.345 1.00 34.14 C ATOM 979 CG LEU A 59 4.626 -8.904 3.120 1.00 13.15 C ATOM 980 CD1 LEU A 59 3.087 -9.033 3.028 1.00 71.25 C ATOM 981 CD2 LEU A 59 5.326 -9.514 1.884 1.00 33.13 C ATOM 0 H LEU A 59 6.365 -8.148 5.386 1.00 35.52 H new ATOM 0 HA LEU A 59 7.104 -7.617 2.687 1.00 23.41 H new ATOM 0 HB2 LEU A 59 4.535 -7.044 4.226 1.00 34.14 H new ATOM 0 HB3 LEU A 59 4.710 -6.832 2.495 1.00 34.14 H new ATOM 0 HG LEU A 59 4.950 -9.478 3.988 1.00 13.15 H new ATOM 0 HD11 LEU A 59 2.818 -10.078 2.871 1.00 71.25 H new ATOM 0 HD12 LEU A 59 2.636 -8.677 3.954 1.00 71.25 H new ATOM 0 HD13 LEU A 59 2.721 -8.435 2.193 1.00 71.25 H new ATOM 0 HD21 LEU A 59 5.004 -10.548 1.757 1.00 33.13 H new ATOM 0 HD22 LEU A 59 5.062 -8.940 0.996 1.00 33.13 H new ATOM 0 HD23 LEU A 59 6.406 -9.485 2.027 1.00 33.13 H new ATOM 993 N LEU A 60 6.742 -5.034 4.744 1.00 52.33 N ATOM 994 CA LEU A 60 6.966 -3.588 4.919 1.00 43.25 C ATOM 995 C LEU A 60 8.398 -3.208 4.531 1.00 71.21 C ATOM 996 O LEU A 60 8.625 -2.285 3.731 1.00 2.14 O ATOM 997 CB LEU A 60 6.644 -3.155 6.372 1.00 4.33 C ATOM 998 CG LEU A 60 6.895 -1.628 6.716 1.00 2.45 C ATOM 999 CD1 LEU A 60 5.751 -1.040 7.554 1.00 24.21 C ATOM 1000 CD2 LEU A 60 8.260 -1.404 7.428 1.00 31.31 C ATOM 0 H LEU A 60 6.487 -5.519 5.605 1.00 52.33 H new ATOM 0 HA LEU A 60 6.288 -3.054 4.253 1.00 43.25 H new ATOM 0 HB2 LEU A 60 5.598 -3.385 6.575 1.00 4.33 H new ATOM 0 HB3 LEU A 60 7.242 -3.763 7.052 1.00 4.33 H new ATOM 0 HG LEU A 60 6.927 -1.100 5.763 1.00 2.45 H new ATOM 0 HD11 LEU A 60 5.959 0.008 7.770 1.00 24.21 H new ATOM 0 HD12 LEU A 60 4.816 -1.117 6.999 1.00 24.21 H new ATOM 0 HD13 LEU A 60 5.664 -1.593 8.490 1.00 24.21 H new ATOM 0 HD21 LEU A 60 8.388 -0.343 7.644 1.00 31.31 H new ATOM 0 HD22 LEU A 60 8.281 -1.969 8.360 1.00 31.31 H new ATOM 0 HD23 LEU A 60 9.068 -1.742 6.780 1.00 31.31 H new ATOM 1012 N GLN A 61 9.353 -3.960 5.104 1.00 32.23 N ATOM 1013 CA GLN A 61 10.780 -3.780 4.842 1.00 61.45 C ATOM 1014 C GLN A 61 11.125 -4.155 3.392 1.00 42.34 C ATOM 1015 O GLN A 61 11.982 -3.521 2.780 1.00 3.01 O ATOM 1016 CB GLN A 61 11.628 -4.568 5.876 1.00 51.41 C ATOM 1017 CG GLN A 61 11.497 -4.024 7.321 1.00 3.52 C ATOM 1018 CD GLN A 61 12.298 -4.807 8.366 1.00 73.32 C ATOM 1019 OE1 GLN A 61 13.343 -5.383 8.069 1.00 44.41 O ATOM 1020 NE2 GLN A 61 11.813 -4.827 9.602 1.00 44.13 N ATOM 0 H GLN A 61 9.150 -4.711 5.764 1.00 32.23 H new ATOM 0 HA GLN A 61 11.028 -2.725 4.960 1.00 61.45 H new ATOM 0 HB2 GLN A 61 11.325 -5.615 5.861 1.00 51.41 H new ATOM 0 HB3 GLN A 61 12.676 -4.535 5.577 1.00 51.41 H new ATOM 0 HG2 GLN A 61 11.823 -2.984 7.336 1.00 3.52 H new ATOM 0 HG3 GLN A 61 10.445 -4.033 7.606 1.00 3.52 H new ATOM 0 HE21 GLN A 61 10.943 -4.339 9.817 1.00 44.13 H new ATOM 0 HE22 GLN A 61 12.310 -5.330 10.337 1.00 44.13 H new ATOM 1029 N LYS A 62 10.398 -5.145 2.837 1.00 30.23 N ATOM 1030 CA LYS A 62 10.603 -5.627 1.457 1.00 54.31 C ATOM 1031 C LYS A 62 10.321 -4.500 0.437 1.00 74.43 C ATOM 1032 O LYS A 62 11.102 -4.299 -0.502 1.00 13.22 O ATOM 1033 CB LYS A 62 9.695 -6.858 1.176 1.00 43.54 C ATOM 1034 CG LYS A 62 10.128 -7.711 -0.028 1.00 3.40 C ATOM 1035 CD LYS A 62 9.198 -8.916 -0.282 1.00 4.52 C ATOM 1036 CE LYS A 62 9.809 -9.917 -1.271 1.00 11.52 C ATOM 1037 NZ LYS A 62 10.009 -9.350 -2.626 1.00 73.23 N ATOM 0 H LYS A 62 9.652 -5.633 3.333 1.00 30.23 H new ATOM 0 HA LYS A 62 11.644 -5.931 1.348 1.00 54.31 H new ATOM 0 HB2 LYS A 62 9.676 -7.490 2.064 1.00 43.54 H new ATOM 0 HB3 LYS A 62 8.675 -6.511 1.011 1.00 43.54 H new ATOM 0 HG2 LYS A 62 10.153 -7.084 -0.920 1.00 3.40 H new ATOM 0 HG3 LYS A 62 11.143 -8.072 0.136 1.00 3.40 H new ATOM 0 HD2 LYS A 62 8.992 -9.420 0.662 1.00 4.52 H new ATOM 0 HD3 LYS A 62 8.243 -8.561 -0.669 1.00 4.52 H new ATOM 0 HE2 LYS A 62 10.767 -10.262 -0.883 1.00 11.52 H new ATOM 0 HE3 LYS A 62 9.161 -10.790 -1.342 1.00 11.52 H new ATOM 0 HZ1 LYS A 62 10.279 -10.109 -3.284 1.00 73.23 H new ATOM 0 HZ2 LYS A 62 9.126 -8.908 -2.951 1.00 73.23 H new ATOM 0 HZ3 LYS A 62 10.763 -8.635 -2.595 1.00 73.23 H new ATOM 1051 N ILE A 63 9.208 -3.758 0.663 1.00 13.41 N ATOM 1052 CA ILE A 63 8.805 -2.613 -0.178 1.00 52.23 C ATOM 1053 C ILE A 63 9.846 -1.462 -0.043 1.00 42.15 C ATOM 1054 O ILE A 63 10.406 -1.021 -1.047 1.00 24.40 O ATOM 1055 CB ILE A 63 7.308 -2.129 0.132 1.00 52.20 C ATOM 1056 CG1 ILE A 63 6.220 -3.000 -0.612 1.00 73.02 C ATOM 1057 CG2 ILE A 63 7.083 -0.633 -0.218 1.00 45.12 C ATOM 1058 CD1 ILE A 63 6.155 -4.477 -0.248 1.00 61.24 C ATOM 0 H ILE A 63 8.567 -3.940 1.435 1.00 13.41 H new ATOM 0 HA ILE A 63 8.796 -2.938 -1.218 1.00 52.23 H new ATOM 0 HB ILE A 63 7.187 -2.262 1.207 1.00 52.20 H new ATOM 0 HG12 ILE A 63 5.242 -2.559 -0.419 1.00 73.02 H new ATOM 0 HG13 ILE A 63 6.398 -2.922 -1.685 1.00 73.02 H new ATOM 0 HG21 ILE A 63 6.054 -0.357 0.011 1.00 45.12 H new ATOM 0 HG22 ILE A 63 7.763 -0.016 0.369 1.00 45.12 H new ATOM 0 HG23 ILE A 63 7.274 -0.475 -1.280 1.00 45.12 H new ATOM 0 HD11 ILE A 63 5.369 -4.960 -0.828 1.00 61.24 H new ATOM 0 HD12 ILE A 63 7.112 -4.949 -0.470 1.00 61.24 H new ATOM 0 HD13 ILE A 63 5.938 -4.581 0.815 1.00 61.24 H new ATOM 1070 N LYS A 64 10.166 -1.027 1.211 1.00 13.45 N ATOM 1071 CA LYS A 64 11.080 0.128 1.439 1.00 5.35 C ATOM 1072 C LYS A 64 12.535 -0.168 0.980 1.00 25.04 C ATOM 1073 O LYS A 64 13.315 0.761 0.776 1.00 70.35 O ATOM 1074 CB LYS A 64 11.008 0.660 2.915 1.00 61.14 C ATOM 1075 CG LYS A 64 11.475 -0.285 4.054 1.00 12.54 C ATOM 1076 CD LYS A 64 13.012 -0.310 4.275 1.00 1.55 C ATOM 1077 CE LYS A 64 13.433 -1.200 5.451 1.00 60.11 C ATOM 1078 NZ LYS A 64 14.905 -1.245 5.631 1.00 33.12 N ATOM 0 H LYS A 64 9.809 -1.453 2.066 1.00 13.45 H new ATOM 0 HA LYS A 64 10.722 0.938 0.804 1.00 5.35 H new ATOM 0 HB2 LYS A 64 11.604 1.571 2.971 1.00 61.14 H new ATOM 0 HB3 LYS A 64 9.975 0.943 3.118 1.00 61.14 H new ATOM 0 HG2 LYS A 64 10.991 0.018 4.983 1.00 12.54 H new ATOM 0 HG3 LYS A 64 11.135 -1.297 3.833 1.00 12.54 H new ATOM 0 HD2 LYS A 64 13.499 -0.664 3.366 1.00 1.55 H new ATOM 0 HD3 LYS A 64 13.365 0.706 4.451 1.00 1.55 H new ATOM 0 HE2 LYS A 64 12.969 -0.831 6.366 1.00 60.11 H new ATOM 0 HE3 LYS A 64 13.059 -2.211 5.289 1.00 60.11 H new ATOM 0 HZ1 LYS A 64 15.138 -1.859 6.438 1.00 33.12 H new ATOM 0 HZ2 LYS A 64 15.349 -1.622 4.769 1.00 33.12 H new ATOM 0 HZ3 LYS A 64 15.262 -0.285 5.812 1.00 33.12 H new ATOM 1092 N GLN A 65 12.898 -1.463 0.835 1.00 54.22 N ATOM 1093 CA GLN A 65 14.229 -1.869 0.318 1.00 12.03 C ATOM 1094 C GLN A 65 14.245 -1.891 -1.230 1.00 72.13 C ATOM 1095 O GLN A 65 14.956 -1.104 -1.863 1.00 40.41 O ATOM 1096 CB GLN A 65 14.619 -3.274 0.879 1.00 3.05 C ATOM 1097 CG GLN A 65 15.024 -3.294 2.371 1.00 64.00 C ATOM 1098 CD GLN A 65 15.103 -4.702 2.990 1.00 1.41 C ATOM 1099 OE1 GLN A 65 15.925 -4.964 3.877 1.00 54.41 O ATOM 1100 NE2 GLN A 65 14.209 -5.604 2.591 1.00 2.24 N ATOM 0 H GLN A 65 12.288 -2.247 1.069 1.00 54.22 H new ATOM 0 HA GLN A 65 14.960 -1.134 0.654 1.00 12.03 H new ATOM 0 HB2 GLN A 65 13.777 -3.951 0.738 1.00 3.05 H new ATOM 0 HB3 GLN A 65 15.446 -3.667 0.288 1.00 3.05 H new ATOM 0 HG2 GLN A 65 15.994 -2.808 2.478 1.00 64.00 H new ATOM 0 HG3 GLN A 65 14.306 -2.701 2.938 1.00 64.00 H new ATOM 0 HE21 GLN A 65 13.539 -5.369 1.858 1.00 2.24 H new ATOM 0 HE22 GLN A 65 14.193 -6.530 3.018 1.00 2.24 H new ATOM 1109 N GLU A 66 13.408 -2.773 -1.828 1.00 14.13 N ATOM 1110 CA GLU A 66 13.435 -3.054 -3.282 1.00 12.41 C ATOM 1111 C GLU A 66 12.729 -1.957 -4.094 1.00 60.15 C ATOM 1112 O GLU A 66 13.279 -1.466 -5.093 1.00 54.14 O ATOM 1113 CB GLU A 66 12.820 -4.450 -3.579 1.00 72.25 C ATOM 1114 CG GLU A 66 13.710 -5.624 -3.160 1.00 61.03 C ATOM 1115 CD GLU A 66 13.039 -6.978 -3.430 1.00 44.24 C ATOM 1116 OE1 GLU A 66 12.247 -7.429 -2.579 1.00 11.33 O ATOM 1117 OE2 GLU A 66 13.277 -7.589 -4.493 1.00 71.25 O ATOM 0 H GLU A 66 12.701 -3.305 -1.320 1.00 14.13 H new ATOM 0 HA GLU A 66 14.479 -3.060 -3.595 1.00 12.41 H new ATOM 0 HB2 GLU A 66 11.863 -4.531 -3.064 1.00 72.25 H new ATOM 0 HB3 GLU A 66 12.615 -4.526 -4.647 1.00 72.25 H new ATOM 0 HG2 GLU A 66 14.655 -5.573 -3.700 1.00 61.03 H new ATOM 0 HG3 GLU A 66 13.945 -5.541 -2.099 1.00 61.03 H new ATOM 1124 N ALA A 67 11.511 -1.575 -3.674 1.00 63.05 N ATOM 1125 CA ALA A 67 10.772 -0.465 -4.301 1.00 40.23 C ATOM 1126 C ALA A 67 11.405 0.880 -3.887 1.00 31.24 C ATOM 1127 O ALA A 67 11.310 1.867 -4.629 1.00 44.12 O ATOM 1128 CB ALA A 67 9.293 -0.527 -3.921 1.00 50.34 C ATOM 0 H ALA A 67 11.016 -2.020 -2.901 1.00 63.05 H new ATOM 0 HA ALA A 67 10.836 -0.554 -5.385 1.00 40.23 H new ATOM 0 HB1 ALA A 67 8.761 0.300 -4.392 1.00 50.34 H new ATOM 0 HB2 ALA A 67 8.869 -1.472 -4.261 1.00 50.34 H new ATOM 0 HB3 ALA A 67 9.192 -0.453 -2.838 1.00 50.34 H new ATOM 1134 N ASN A 68 12.054 0.865 -2.697 1.00 22.13 N ATOM 1135 CA ASN A 68 12.874 1.973 -2.152 1.00 73.00 C ATOM 1136 C ASN A 68 12.054 3.274 -2.059 1.00 0.35 C ATOM 1137 O ASN A 68 12.311 4.245 -2.770 1.00 14.34 O ATOM 1138 CB ASN A 68 14.205 2.137 -2.956 1.00 63.23 C ATOM 1139 CG ASN A 68 15.203 3.112 -2.308 1.00 50.22 C ATOM 1140 OD1 ASN A 68 15.249 4.301 -2.636 1.00 34.32 O ATOM 1141 ND2 ASN A 68 16.004 2.620 -1.373 1.00 25.44 N ATOM 0 H ASN A 68 12.020 0.059 -2.073 1.00 22.13 H new ATOM 0 HA ASN A 68 13.165 1.722 -1.132 1.00 73.00 H new ATOM 0 HB2 ASN A 68 14.679 1.161 -3.059 1.00 63.23 H new ATOM 0 HB3 ASN A 68 13.971 2.486 -3.962 1.00 63.23 H new ATOM 0 HD21 ASN A 68 16.678 3.228 -0.907 1.00 25.44 H new ATOM 0 HD22 ASN A 68 15.947 1.634 -1.120 1.00 25.44 H new ATOM 1148 N VAL A 69 11.024 3.246 -1.190 1.00 23.22 N ATOM 1149 CA VAL A 69 10.037 4.345 -1.052 1.00 73.24 C ATOM 1150 C VAL A 69 9.608 4.536 0.411 1.00 45.44 C ATOM 1151 O VAL A 69 9.953 3.730 1.289 1.00 10.35 O ATOM 1152 CB VAL A 69 8.755 4.095 -1.944 1.00 50.54 C ATOM 1153 CG1 VAL A 69 9.072 4.277 -3.440 1.00 74.51 C ATOM 1154 CG2 VAL A 69 8.141 2.699 -1.672 1.00 42.22 C ATOM 0 H VAL A 69 10.849 2.462 -0.562 1.00 23.22 H new ATOM 0 HA VAL A 69 10.534 5.252 -1.398 1.00 73.24 H new ATOM 0 HB VAL A 69 8.013 4.843 -1.666 1.00 50.54 H new ATOM 0 HG11 VAL A 69 8.171 4.099 -4.027 1.00 74.51 H new ATOM 0 HG12 VAL A 69 9.425 5.293 -3.616 1.00 74.51 H new ATOM 0 HG13 VAL A 69 9.845 3.568 -3.737 1.00 74.51 H new ATOM 0 HG21 VAL A 69 7.262 2.559 -2.301 1.00 42.22 H new ATOM 0 HG22 VAL A 69 8.876 1.927 -1.900 1.00 42.22 H new ATOM 0 HG23 VAL A 69 7.852 2.627 -0.623 1.00 42.22 H new ATOM 1164 N GLN A 70 8.847 5.620 0.645 1.00 33.41 N ATOM 1165 CA GLN A 70 8.312 5.962 1.963 1.00 41.45 C ATOM 1166 C GLN A 70 7.113 5.060 2.294 1.00 45.42 C ATOM 1167 O GLN A 70 6.080 5.108 1.619 1.00 61.12 O ATOM 1168 CB GLN A 70 7.914 7.463 2.001 1.00 73.44 C ATOM 1169 CG GLN A 70 9.130 8.418 1.976 1.00 34.21 C ATOM 1170 CD GLN A 70 8.772 9.903 1.923 1.00 32.41 C ATOM 1171 OE1 GLN A 70 7.727 10.330 2.416 1.00 61.41 O ATOM 1172 NE2 GLN A 70 9.656 10.713 1.344 1.00 20.02 N ATOM 0 H GLN A 70 8.588 6.284 -0.084 1.00 33.41 H new ATOM 0 HA GLN A 70 9.079 5.796 2.719 1.00 41.45 H new ATOM 0 HB2 GLN A 70 7.270 7.683 1.149 1.00 73.44 H new ATOM 0 HB3 GLN A 70 7.329 7.654 2.901 1.00 73.44 H new ATOM 0 HG2 GLN A 70 9.737 8.236 2.863 1.00 34.21 H new ATOM 0 HG3 GLN A 70 9.748 8.176 1.111 1.00 34.21 H new ATOM 0 HE21 GLN A 70 10.513 10.330 0.944 1.00 20.02 H new ATOM 0 HE22 GLN A 70 9.476 11.716 1.300 1.00 20.02 H new ATOM 1181 N VAL A 71 7.279 4.235 3.337 1.00 71.10 N ATOM 1182 CA VAL A 71 6.248 3.291 3.805 1.00 61.50 C ATOM 1183 C VAL A 71 5.452 3.924 4.944 1.00 65.34 C ATOM 1184 O VAL A 71 6.026 4.516 5.870 1.00 41.11 O ATOM 1185 CB VAL A 71 6.869 1.917 4.292 1.00 13.53 C ATOM 1186 CG1 VAL A 71 7.321 1.071 3.096 1.00 71.54 C ATOM 1187 CG2 VAL A 71 8.051 2.119 5.273 1.00 42.22 C ATOM 0 H VAL A 71 8.138 4.202 3.886 1.00 71.10 H new ATOM 0 HA VAL A 71 5.594 3.075 2.960 1.00 61.50 H new ATOM 0 HB VAL A 71 6.081 1.390 4.830 1.00 13.53 H new ATOM 0 HG11 VAL A 71 7.744 0.132 3.454 1.00 71.54 H new ATOM 0 HG12 VAL A 71 6.465 0.862 2.454 1.00 71.54 H new ATOM 0 HG13 VAL A 71 8.075 1.616 2.529 1.00 71.54 H new ATOM 0 HG21 VAL A 71 8.441 1.148 5.577 1.00 42.22 H new ATOM 0 HG22 VAL A 71 8.839 2.689 4.781 1.00 42.22 H new ATOM 0 HG23 VAL A 71 7.705 2.663 6.152 1.00 42.22 H new ATOM 1197 N TYR A 72 4.123 3.838 4.847 1.00 11.34 N ATOM 1198 CA TYR A 72 3.215 4.311 5.889 1.00 33.23 C ATOM 1199 C TYR A 72 2.408 3.119 6.401 1.00 34.10 C ATOM 1200 O TYR A 72 1.422 2.708 5.787 1.00 4.33 O ATOM 1201 CB TYR A 72 2.314 5.453 5.332 1.00 3.11 C ATOM 1202 CG TYR A 72 3.100 6.750 5.077 1.00 34.52 C ATOM 1203 CD1 TYR A 72 3.845 6.935 3.906 1.00 71.32 C ATOM 1204 CD2 TYR A 72 3.125 7.775 6.028 1.00 45.23 C ATOM 1205 CE1 TYR A 72 4.580 8.085 3.700 1.00 51.33 C ATOM 1206 CE2 TYR A 72 3.865 8.927 5.822 1.00 31.51 C ATOM 1207 CZ TYR A 72 4.588 9.077 4.658 1.00 74.31 C ATOM 1208 OH TYR A 72 5.333 10.222 4.456 1.00 62.31 O ATOM 0 H TYR A 72 3.647 3.436 4.039 1.00 11.34 H new ATOM 0 HA TYR A 72 3.768 4.734 6.728 1.00 33.23 H new ATOM 0 HB2 TYR A 72 1.849 5.125 4.402 1.00 3.11 H new ATOM 0 HB3 TYR A 72 1.508 5.653 6.038 1.00 3.11 H new ATOM 0 HD1 TYR A 72 3.845 6.164 3.150 1.00 71.32 H new ATOM 0 HD2 TYR A 72 2.557 7.666 6.940 1.00 45.23 H new ATOM 0 HE1 TYR A 72 5.148 8.208 2.790 1.00 51.33 H new ATOM 0 HE2 TYR A 72 3.876 9.705 6.571 1.00 31.51 H new ATOM 0 HH TYR A 72 6.089 10.021 3.866 1.00 62.31 H new ATOM 1218 N ARG A 73 2.886 2.559 7.522 1.00 51.10 N ATOM 1219 CA ARG A 73 2.233 1.456 8.229 1.00 41.55 C ATOM 1220 C ARG A 73 0.919 1.959 8.848 1.00 42.03 C ATOM 1221 O ARG A 73 0.910 2.950 9.586 1.00 71.44 O ATOM 1222 CB ARG A 73 3.180 0.886 9.324 1.00 40.34 C ATOM 1223 CG ARG A 73 2.662 -0.396 10.026 1.00 1.35 C ATOM 1224 CD ARG A 73 3.638 -0.929 11.098 1.00 53.44 C ATOM 1225 NE ARG A 73 3.168 -2.189 11.705 1.00 33.42 N ATOM 1226 CZ ARG A 73 3.661 -2.756 12.825 1.00 34.55 C ATOM 1227 NH1 ARG A 73 4.654 -2.188 13.507 1.00 12.32 N ATOM 1228 NH2 ARG A 73 3.154 -3.903 13.252 1.00 62.44 N ATOM 0 H ARG A 73 3.751 2.867 7.967 1.00 51.10 H new ATOM 0 HA ARG A 73 2.008 0.652 7.528 1.00 41.55 H new ATOM 0 HB2 ARG A 73 4.148 0.670 8.871 1.00 40.34 H new ATOM 0 HB3 ARG A 73 3.345 1.655 10.078 1.00 40.34 H new ATOM 0 HG2 ARG A 73 1.699 -0.186 10.491 1.00 1.35 H new ATOM 0 HG3 ARG A 73 2.493 -1.171 9.278 1.00 1.35 H new ATOM 0 HD2 ARG A 73 4.618 -1.088 10.647 1.00 53.44 H new ATOM 0 HD3 ARG A 73 3.764 -0.178 11.877 1.00 53.44 H new ATOM 0 HE ARG A 73 2.403 -2.674 11.236 1.00 33.42 H new ATOM 0 HH11 ARG A 73 5.056 -1.308 13.185 1.00 12.32 H new ATOM 0 HH12 ARG A 73 5.012 -2.633 14.352 1.00 12.32 H new ATOM 0 HH21 ARG A 73 2.397 -4.350 12.735 1.00 62.44 H new ATOM 0 HH22 ARG A 73 3.521 -4.339 14.098 1.00 62.44 H new ATOM 1242 N VAL A 74 -0.177 1.281 8.505 1.00 62.45 N ATOM 1243 CA VAL A 74 -1.542 1.640 8.919 1.00 63.01 C ATOM 1244 C VAL A 74 -2.248 0.371 9.424 1.00 25.42 C ATOM 1245 O VAL A 74 -2.164 -0.678 8.796 1.00 2.32 O ATOM 1246 CB VAL A 74 -2.325 2.285 7.708 1.00 72.22 C ATOM 1247 CG1 VAL A 74 -3.842 2.374 7.973 1.00 23.44 C ATOM 1248 CG2 VAL A 74 -1.746 3.681 7.361 1.00 14.34 C ATOM 0 H VAL A 74 -0.144 0.447 7.918 1.00 62.45 H new ATOM 0 HA VAL A 74 -1.512 2.377 9.721 1.00 63.01 H new ATOM 0 HB VAL A 74 -2.188 1.626 6.851 1.00 72.22 H new ATOM 0 HG11 VAL A 74 -4.336 2.824 7.112 1.00 23.44 H new ATOM 0 HG12 VAL A 74 -4.242 1.374 8.139 1.00 23.44 H new ATOM 0 HG13 VAL A 74 -4.022 2.987 8.856 1.00 23.44 H new ATOM 0 HG21 VAL A 74 -2.300 4.107 6.524 1.00 14.34 H new ATOM 0 HG22 VAL A 74 -1.835 4.337 8.227 1.00 14.34 H new ATOM 0 HG23 VAL A 74 -0.696 3.581 7.088 1.00 14.34 H new ATOM 1258 N THR A 75 -2.891 0.470 10.598 1.00 30.35 N ATOM 1259 CA THR A 75 -3.654 -0.636 11.211 1.00 1.41 C ATOM 1260 C THR A 75 -5.108 -0.198 11.513 1.00 31.34 C ATOM 1261 O THR A 75 -5.870 -0.940 12.140 1.00 22.24 O ATOM 1262 CB THR A 75 -2.945 -1.123 12.522 1.00 64.15 C ATOM 1263 OG1 THR A 75 -2.820 -0.025 13.439 1.00 45.32 O ATOM 1264 CG2 THR A 75 -1.537 -1.711 12.254 1.00 11.15 C ATOM 0 H THR A 75 -2.898 1.325 11.155 1.00 30.35 H new ATOM 0 HA THR A 75 -3.688 -1.464 10.503 1.00 1.41 H new ATOM 0 HB THR A 75 -3.564 -1.915 12.944 1.00 64.15 H new ATOM 0 HG1 THR A 75 -2.378 -0.332 14.258 1.00 45.32 H new ATOM 0 HG21 THR A 75 -1.092 -2.032 13.196 1.00 11.15 H new ATOM 0 HG22 THR A 75 -1.621 -2.565 11.582 1.00 11.15 H new ATOM 0 HG23 THR A 75 -0.906 -0.950 11.795 1.00 11.15 H new ATOM 1272 N SER A 76 -5.490 1.005 11.024 1.00 71.14 N ATOM 1273 CA SER A 76 -6.832 1.584 11.237 1.00 71.12 C ATOM 1274 C SER A 76 -7.133 2.646 10.160 1.00 60.14 C ATOM 1275 O SER A 76 -6.216 3.354 9.723 1.00 72.44 O ATOM 1276 CB SER A 76 -6.930 2.213 12.648 1.00 5.24 C ATOM 1277 OG SER A 76 -8.239 2.690 12.910 1.00 4.41 O ATOM 0 H SER A 76 -4.874 1.600 10.470 1.00 71.14 H new ATOM 0 HA SER A 76 -7.570 0.786 11.159 1.00 71.12 H new ATOM 0 HB2 SER A 76 -6.654 1.472 13.399 1.00 5.24 H new ATOM 0 HB3 SER A 76 -6.218 3.034 12.733 1.00 5.24 H new ATOM 0 HG SER A 76 -8.231 3.670 12.934 1.00 4.41 H new ATOM 1283 N ASN A 77 -8.433 2.767 9.788 1.00 14.15 N ATOM 1284 CA ASN A 77 -8.925 3.671 8.707 1.00 61.53 C ATOM 1285 C ASN A 77 -8.435 5.115 8.877 1.00 52.14 C ATOM 1286 O ASN A 77 -8.153 5.782 7.887 1.00 70.43 O ATOM 1287 CB ASN A 77 -10.483 3.672 8.657 1.00 35.15 C ATOM 1288 CG ASN A 77 -11.092 2.366 8.157 1.00 72.53 C ATOM 1289 OD1 ASN A 77 -10.460 1.311 8.168 1.00 1.55 O ATOM 1290 ND2 ASN A 77 -12.349 2.421 7.761 1.00 64.31 N ATOM 0 H ASN A 77 -9.181 2.235 10.233 1.00 14.15 H new ATOM 0 HA ASN A 77 -8.518 3.281 7.774 1.00 61.53 H new ATOM 0 HB2 ASN A 77 -10.867 3.881 9.655 1.00 35.15 H new ATOM 0 HB3 ASN A 77 -10.814 4.485 8.011 1.00 35.15 H new ATOM 0 HD21 ASN A 77 -12.824 1.573 7.452 1.00 64.31 H new ATOM 0 HD22 ASN A 77 -12.846 3.312 7.764 1.00 64.31 H new ATOM 1297 N ASP A 78 -8.334 5.559 10.150 1.00 70.32 N ATOM 1298 CA ASP A 78 -7.892 6.918 10.535 1.00 1.43 C ATOM 1299 C ASP A 78 -6.594 7.306 9.815 1.00 42.12 C ATOM 1300 O ASP A 78 -6.557 8.283 9.059 1.00 15.02 O ATOM 1301 CB ASP A 78 -7.664 6.980 12.073 1.00 64.32 C ATOM 1302 CG ASP A 78 -8.928 6.668 12.885 1.00 71.33 C ATOM 1303 OD1 ASP A 78 -9.220 5.476 13.126 1.00 51.03 O ATOM 1304 OD2 ASP A 78 -9.650 7.611 13.267 1.00 41.21 O ATOM 0 H ASP A 78 -8.561 4.972 10.953 1.00 70.32 H new ATOM 0 HA ASP A 78 -8.672 7.621 10.244 1.00 1.43 H new ATOM 0 HB2 ASP A 78 -6.881 6.273 12.346 1.00 64.32 H new ATOM 0 HB3 ASP A 78 -7.304 7.973 12.341 1.00 64.32 H new ATOM 1309 N GLU A 79 -5.569 6.451 9.994 1.00 73.41 N ATOM 1310 CA GLU A 79 -4.197 6.701 9.517 1.00 64.34 C ATOM 1311 C GLU A 79 -4.133 6.655 7.986 1.00 50.32 C ATOM 1312 O GLU A 79 -3.427 7.453 7.365 1.00 24.24 O ATOM 1313 CB GLU A 79 -3.225 5.657 10.129 1.00 72.12 C ATOM 1314 CG GLU A 79 -3.344 5.502 11.656 1.00 22.31 C ATOM 1315 CD GLU A 79 -3.265 6.836 12.421 1.00 51.44 C ATOM 1316 OE1 GLU A 79 -2.204 7.496 12.378 1.00 54.44 O ATOM 1317 OE2 GLU A 79 -4.252 7.217 13.095 1.00 11.32 O ATOM 0 H GLU A 79 -5.672 5.559 10.478 1.00 73.41 H new ATOM 0 HA GLU A 79 -3.896 7.698 9.838 1.00 64.34 H new ATOM 0 HB2 GLU A 79 -3.408 4.689 9.662 1.00 72.12 H new ATOM 0 HB3 GLU A 79 -2.202 5.942 9.883 1.00 72.12 H new ATOM 0 HG2 GLU A 79 -4.290 5.014 11.890 1.00 22.31 H new ATOM 0 HG3 GLU A 79 -2.550 4.843 12.009 1.00 22.31 H new ATOM 1324 N LEU A 80 -4.909 5.715 7.408 1.00 52.33 N ATOM 1325 CA LEU A 80 -5.067 5.544 5.950 1.00 53.13 C ATOM 1326 C LEU A 80 -5.485 6.886 5.312 1.00 42.55 C ATOM 1327 O LEU A 80 -4.817 7.388 4.402 1.00 42.34 O ATOM 1328 CB LEU A 80 -6.114 4.397 5.705 1.00 62.03 C ATOM 1329 CG LEU A 80 -6.567 4.046 4.235 1.00 11.05 C ATOM 1330 CD1 LEU A 80 -7.695 4.950 3.722 1.00 63.25 C ATOM 1331 CD2 LEU A 80 -5.377 4.025 3.251 1.00 22.01 C ATOM 0 H LEU A 80 -5.452 5.043 7.950 1.00 52.33 H new ATOM 0 HA LEU A 80 -4.129 5.255 5.477 1.00 53.13 H new ATOM 0 HB2 LEU A 80 -5.707 3.487 6.145 1.00 62.03 H new ATOM 0 HB3 LEU A 80 -7.011 4.651 6.269 1.00 62.03 H new ATOM 0 HG LEU A 80 -6.975 3.036 4.286 1.00 11.05 H new ATOM 0 HD11 LEU A 80 -7.962 4.658 2.706 1.00 63.25 H new ATOM 0 HD12 LEU A 80 -8.566 4.848 4.369 1.00 63.25 H new ATOM 0 HD13 LEU A 80 -7.360 5.987 3.726 1.00 63.25 H new ATOM 0 HD21 LEU A 80 -5.736 3.779 2.252 1.00 22.01 H new ATOM 0 HD22 LEU A 80 -4.901 5.005 3.235 1.00 22.01 H new ATOM 0 HD23 LEU A 80 -4.653 3.276 3.571 1.00 22.01 H new ATOM 1343 N GLU A 81 -6.553 7.476 5.874 1.00 4.01 N ATOM 1344 CA GLU A 81 -7.172 8.707 5.363 1.00 23.11 C ATOM 1345 C GLU A 81 -6.243 9.920 5.549 1.00 23.20 C ATOM 1346 O GLU A 81 -6.231 10.812 4.698 1.00 42.13 O ATOM 1347 CB GLU A 81 -8.529 8.918 6.072 1.00 24.24 C ATOM 1348 CG GLU A 81 -9.521 7.747 5.868 1.00 14.30 C ATOM 1349 CD GLU A 81 -10.771 7.856 6.744 1.00 23.03 C ATOM 1350 OE1 GLU A 81 -10.658 7.698 7.977 1.00 60.44 O ATOM 1351 OE2 GLU A 81 -11.871 8.133 6.215 1.00 54.03 O ATOM 0 H GLU A 81 -7.015 7.106 6.705 1.00 4.01 H new ATOM 0 HA GLU A 81 -7.342 8.606 4.291 1.00 23.11 H new ATOM 0 HB2 GLU A 81 -8.355 9.055 7.139 1.00 24.24 H new ATOM 0 HB3 GLU A 81 -8.984 9.837 5.703 1.00 24.24 H new ATOM 0 HG2 GLU A 81 -9.821 7.712 4.821 1.00 14.30 H new ATOM 0 HG3 GLU A 81 -9.013 6.807 6.086 1.00 14.30 H new ATOM 1358 N GLN A 82 -5.453 9.925 6.652 1.00 30.51 N ATOM 1359 CA GLN A 82 -4.475 11.000 6.940 1.00 51.53 C ATOM 1360 C GLN A 82 -3.392 11.063 5.842 1.00 42.43 C ATOM 1361 O GLN A 82 -3.075 12.144 5.344 1.00 1.12 O ATOM 1362 CB GLN A 82 -3.796 10.811 8.334 1.00 3.53 C ATOM 1363 CG GLN A 82 -4.750 10.811 9.548 1.00 45.13 C ATOM 1364 CD GLN A 82 -5.585 12.087 9.701 1.00 13.21 C ATOM 1365 OE1 GLN A 82 -5.171 13.044 10.352 1.00 44.32 O ATOM 1366 NE2 GLN A 82 -6.782 12.103 9.121 1.00 44.15 N ATOM 0 H GLN A 82 -5.476 9.191 7.360 1.00 30.51 H new ATOM 0 HA GLN A 82 -5.030 11.938 6.956 1.00 51.53 H new ATOM 0 HB2 GLN A 82 -3.248 9.869 8.326 1.00 3.53 H new ATOM 0 HB3 GLN A 82 -3.063 11.606 8.471 1.00 3.53 H new ATOM 0 HG2 GLN A 82 -5.424 9.959 9.464 1.00 45.13 H new ATOM 0 HG3 GLN A 82 -4.163 10.665 10.455 1.00 45.13 H new ATOM 0 HE21 GLN A 82 -7.101 11.295 8.586 1.00 44.15 H new ATOM 0 HE22 GLN A 82 -7.381 12.923 9.211 1.00 44.15 H new ATOM 1375 N VAL A 83 -2.848 9.885 5.465 1.00 51.24 N ATOM 1376 CA VAL A 83 -1.764 9.785 4.457 1.00 4.11 C ATOM 1377 C VAL A 83 -2.271 10.186 3.049 1.00 50.22 C ATOM 1378 O VAL A 83 -1.511 10.731 2.237 1.00 13.31 O ATOM 1379 CB VAL A 83 -1.117 8.348 4.431 1.00 51.33 C ATOM 1380 CG1 VAL A 83 0.068 8.265 3.429 1.00 3.42 C ATOM 1381 CG2 VAL A 83 -0.662 7.920 5.851 1.00 52.13 C ATOM 0 H VAL A 83 -3.142 8.985 5.844 1.00 51.24 H new ATOM 0 HA VAL A 83 -0.986 10.489 4.753 1.00 4.11 H new ATOM 0 HB VAL A 83 -1.885 7.655 4.089 1.00 51.33 H new ATOM 0 HG11 VAL A 83 0.486 7.258 3.442 1.00 3.42 H new ATOM 0 HG12 VAL A 83 -0.287 8.498 2.425 1.00 3.42 H new ATOM 0 HG13 VAL A 83 0.838 8.981 3.716 1.00 3.42 H new ATOM 0 HG21 VAL A 83 -0.219 6.925 5.807 1.00 52.13 H new ATOM 0 HG22 VAL A 83 0.076 8.629 6.226 1.00 52.13 H new ATOM 0 HG23 VAL A 83 -1.523 7.904 6.520 1.00 52.13 H new ATOM 1391 N VAL A 84 -3.573 9.934 2.782 1.00 50.31 N ATOM 1392 CA VAL A 84 -4.234 10.377 1.535 1.00 71.24 C ATOM 1393 C VAL A 84 -4.325 11.923 1.487 1.00 11.54 C ATOM 1394 O VAL A 84 -4.115 12.531 0.436 1.00 51.14 O ATOM 1395 CB VAL A 84 -5.666 9.742 1.351 1.00 24.13 C ATOM 1396 CG1 VAL A 84 -6.327 10.225 0.038 1.00 60.01 C ATOM 1397 CG2 VAL A 84 -5.606 8.195 1.388 1.00 2.31 C ATOM 0 H VAL A 84 -4.188 9.424 3.417 1.00 50.31 H new ATOM 0 HA VAL A 84 -3.616 10.026 0.709 1.00 71.24 H new ATOM 0 HB VAL A 84 -6.279 10.078 2.187 1.00 24.13 H new ATOM 0 HG11 VAL A 84 -7.313 9.771 -0.062 1.00 60.01 H new ATOM 0 HG12 VAL A 84 -6.428 11.310 0.059 1.00 60.01 H new ATOM 0 HG13 VAL A 84 -5.706 9.935 -0.810 1.00 60.01 H new ATOM 0 HG21 VAL A 84 -6.609 7.789 1.258 1.00 2.31 H new ATOM 0 HG22 VAL A 84 -4.963 7.837 0.584 1.00 2.31 H new ATOM 0 HG23 VAL A 84 -5.204 7.869 2.347 1.00 2.31 H new ATOM 1407 N LYS A 85 -4.613 12.542 2.648 1.00 65.12 N ATOM 1408 CA LYS A 85 -4.652 14.015 2.791 1.00 54.20 C ATOM 1409 C LYS A 85 -3.238 14.612 2.677 1.00 63.35 C ATOM 1410 O LYS A 85 -3.064 15.723 2.180 1.00 10.11 O ATOM 1411 CB LYS A 85 -5.296 14.400 4.145 1.00 32.05 C ATOM 1412 CG LYS A 85 -6.759 13.922 4.287 1.00 63.05 C ATOM 1413 CD LYS A 85 -7.308 14.083 5.722 1.00 61.24 C ATOM 1414 CE LYS A 85 -8.705 13.462 5.877 1.00 45.32 C ATOM 1415 NZ LYS A 85 -9.684 14.044 4.921 1.00 61.20 N ATOM 0 H LYS A 85 -4.825 12.040 3.511 1.00 65.12 H new ATOM 0 HA LYS A 85 -5.259 14.426 1.984 1.00 54.20 H new ATOM 0 HB2 LYS A 85 -4.703 13.975 4.955 1.00 32.05 H new ATOM 0 HB3 LYS A 85 -5.263 15.483 4.260 1.00 32.05 H new ATOM 0 HG2 LYS A 85 -7.388 14.485 3.598 1.00 63.05 H new ATOM 0 HG3 LYS A 85 -6.823 12.874 3.994 1.00 63.05 H new ATOM 0 HD2 LYS A 85 -6.622 13.613 6.427 1.00 61.24 H new ATOM 0 HD3 LYS A 85 -7.352 15.142 5.977 1.00 61.24 H new ATOM 0 HE2 LYS A 85 -8.642 12.385 5.721 1.00 45.32 H new ATOM 0 HE3 LYS A 85 -9.059 13.616 6.896 1.00 45.32 H new ATOM 0 HZ1 LYS A 85 -10.636 13.685 5.137 1.00 61.20 H new ATOM 0 HZ2 LYS A 85 -9.677 15.081 5.005 1.00 61.20 H new ATOM 0 HZ3 LYS A 85 -9.425 13.774 3.951 1.00 61.20 H new ATOM 1429 N ASP A 86 -2.238 13.840 3.118 1.00 50.02 N ATOM 1430 CA ASP A 86 -0.825 14.253 3.096 1.00 62.12 C ATOM 1431 C ASP A 86 -0.299 14.320 1.649 1.00 42.00 C ATOM 1432 O ASP A 86 0.402 15.269 1.276 1.00 33.43 O ATOM 1433 CB ASP A 86 0.024 13.276 3.951 1.00 53.41 C ATOM 1434 CG ASP A 86 1.510 13.668 4.027 1.00 60.11 C ATOM 1435 OD1 ASP A 86 1.860 14.529 4.861 1.00 22.20 O ATOM 1436 OD2 ASP A 86 2.332 13.132 3.256 1.00 34.42 O ATOM 0 H ASP A 86 -2.384 12.907 3.502 1.00 50.02 H new ATOM 0 HA ASP A 86 -0.743 15.251 3.525 1.00 62.12 H new ATOM 0 HB2 ASP A 86 -0.386 13.237 4.960 1.00 53.41 H new ATOM 0 HB3 ASP A 86 -0.059 12.273 3.534 1.00 53.41 H new ATOM 1441 N VAL A 87 -0.666 13.310 0.832 1.00 73.33 N ATOM 1442 CA VAL A 87 -0.207 13.203 -0.569 1.00 12.34 C ATOM 1443 C VAL A 87 -0.998 14.173 -1.486 1.00 32.31 C ATOM 1444 O VAL A 87 -0.427 14.754 -2.420 1.00 73.11 O ATOM 1445 CB VAL A 87 -0.293 11.710 -1.096 1.00 10.14 C ATOM 1446 CG1 VAL A 87 -1.743 11.208 -1.218 1.00 64.13 C ATOM 1447 CG2 VAL A 87 0.467 11.527 -2.427 1.00 21.02 C ATOM 0 H VAL A 87 -1.284 12.552 1.122 1.00 73.33 H new ATOM 0 HA VAL A 87 0.843 13.496 -0.598 1.00 12.34 H new ATOM 0 HB VAL A 87 0.197 11.094 -0.341 1.00 10.14 H new ATOM 0 HG11 VAL A 87 -1.743 10.181 -1.583 1.00 64.13 H new ATOM 0 HG12 VAL A 87 -2.225 11.246 -0.241 1.00 64.13 H new ATOM 0 HG13 VAL A 87 -2.290 11.841 -1.917 1.00 64.13 H new ATOM 0 HG21 VAL A 87 0.384 10.491 -2.754 1.00 21.02 H new ATOM 0 HG22 VAL A 87 0.037 12.182 -3.185 1.00 21.02 H new ATOM 0 HG23 VAL A 87 1.518 11.779 -2.284 1.00 21.02 H new ATOM 1457 N LYS A 88 -2.299 14.384 -1.178 1.00 62.41 N ATOM 1458 CA LYS A 88 -3.193 15.253 -1.979 1.00 34.10 C ATOM 1459 C LYS A 88 -4.341 15.817 -1.118 1.00 1.21 C ATOM 1460 O LYS A 88 -4.840 15.153 -0.211 1.00 33.33 O ATOM 1461 CB LYS A 88 -3.776 14.480 -3.197 1.00 63.04 C ATOM 1462 CG LYS A 88 -4.605 13.218 -2.841 1.00 62.44 C ATOM 1463 CD LYS A 88 -5.357 12.630 -4.060 1.00 52.13 C ATOM 1464 CE LYS A 88 -6.405 13.609 -4.620 1.00 0.25 C ATOM 1465 NZ LYS A 88 -7.104 13.061 -5.817 1.00 43.41 N ATOM 0 H LYS A 88 -2.757 13.959 -0.372 1.00 62.41 H new ATOM 0 HA LYS A 88 -2.594 16.086 -2.346 1.00 34.10 H new ATOM 0 HB2 LYS A 88 -4.406 15.160 -3.771 1.00 63.04 H new ATOM 0 HB3 LYS A 88 -2.953 14.183 -3.847 1.00 63.04 H new ATOM 0 HG2 LYS A 88 -3.942 12.458 -2.428 1.00 62.44 H new ATOM 0 HG3 LYS A 88 -5.325 13.470 -2.063 1.00 62.44 H new ATOM 0 HD2 LYS A 88 -4.640 12.380 -4.842 1.00 52.13 H new ATOM 0 HD3 LYS A 88 -5.848 11.701 -3.769 1.00 52.13 H new ATOM 0 HE2 LYS A 88 -7.138 13.836 -3.846 1.00 0.25 H new ATOM 0 HE3 LYS A 88 -5.918 14.548 -4.884 1.00 0.25 H new ATOM 0 HZ1 LYS A 88 -7.476 13.845 -6.391 1.00 43.41 H new ATOM 0 HZ2 LYS A 88 -6.434 12.504 -6.385 1.00 43.41 H new ATOM 0 HZ3 LYS A 88 -7.890 12.452 -5.512 1.00 43.41 H new ATOM 1479 N GLY A 89 -4.753 17.060 -1.421 1.00 40.12 N ATOM 1480 CA GLY A 89 -5.865 17.726 -0.734 1.00 20.42 C ATOM 1481 C GLY A 89 -5.414 18.582 0.442 1.00 54.31 C ATOM 1482 O GLY A 89 -6.065 19.585 0.765 1.00 3.34 O ATOM 0 H GLY A 89 -4.322 17.629 -2.150 1.00 40.12 H new ATOM 0 HA2 GLY A 89 -6.402 18.352 -1.447 1.00 20.42 H new ATOM 0 HA3 GLY A 89 -6.568 16.973 -0.379 1.00 20.42 H new ATOM 1486 N SER A 90 -4.294 18.159 1.075 1.00 44.14 N ATOM 1487 CA SER A 90 -3.698 18.787 2.265 1.00 52.54 C ATOM 1488 C SER A 90 -4.584 18.576 3.511 1.00 64.11 C ATOM 1489 O SER A 90 -5.783 18.873 3.493 1.00 14.03 O ATOM 1490 CB SER A 90 -3.357 20.288 2.026 1.00 11.54 C ATOM 1491 OG SER A 90 -2.453 20.424 0.930 1.00 40.32 O ATOM 0 H SER A 90 -3.768 17.345 0.757 1.00 44.14 H new ATOM 0 HA SER A 90 -2.749 18.287 2.458 1.00 52.54 H new ATOM 0 HB2 SER A 90 -4.270 20.847 1.824 1.00 11.54 H new ATOM 0 HB3 SER A 90 -2.914 20.715 2.926 1.00 11.54 H new ATOM 0 HG SER A 90 -2.249 21.372 0.790 1.00 40.32 H new ATOM 1497 N GLY A 91 -3.990 17.999 4.580 1.00 54.40 N ATOM 1498 CA GLY A 91 -4.653 17.881 5.880 1.00 1.24 C ATOM 1499 C GLY A 91 -4.731 19.224 6.603 1.00 64.05 C ATOM 1500 O GLY A 91 -4.033 19.444 7.601 1.00 62.45 O ATOM 0 H GLY A 91 -3.048 17.609 4.558 1.00 54.40 H new ATOM 0 HA2 GLY A 91 -5.659 17.485 5.740 1.00 1.24 H new ATOM 0 HA3 GLY A 91 -4.112 17.166 6.500 1.00 1.24 H new ATOM 1504 N LEU A 92 -5.567 20.129 6.049 1.00 11.35 N ATOM 1505 CA LEU A 92 -5.866 21.470 6.612 1.00 71.14 C ATOM 1506 C LEU A 92 -6.412 21.368 8.051 1.00 61.03 C ATOM 1507 O LEU A 92 -6.264 22.298 8.862 1.00 64.42 O ATOM 1508 CB LEU A 92 -6.877 22.246 5.699 1.00 65.14 C ATOM 1509 CG LEU A 92 -8.349 21.677 5.561 1.00 34.51 C ATOM 1510 CD1 LEU A 92 -9.298 22.706 4.912 1.00 42.54 C ATOM 1511 CD2 LEU A 92 -8.396 20.346 4.777 1.00 31.11 C ATOM 0 H LEU A 92 -6.066 19.946 5.178 1.00 11.35 H new ATOM 0 HA LEU A 92 -4.930 22.027 6.646 1.00 71.14 H new ATOM 0 HB2 LEU A 92 -6.948 23.267 6.074 1.00 65.14 H new ATOM 0 HB3 LEU A 92 -6.447 22.303 4.699 1.00 65.14 H new ATOM 0 HG LEU A 92 -8.692 21.478 6.576 1.00 34.51 H new ATOM 0 HD11 LEU A 92 -10.298 22.280 4.834 1.00 42.54 H new ATOM 0 HD12 LEU A 92 -9.334 23.606 5.526 1.00 42.54 H new ATOM 0 HD13 LEU A 92 -8.933 22.960 3.917 1.00 42.54 H new ATOM 0 HD21 LEU A 92 -9.427 19.999 4.711 1.00 31.11 H new ATOM 0 HD22 LEU A 92 -8.000 20.501 3.773 1.00 31.11 H new ATOM 0 HD23 LEU A 92 -7.794 19.598 5.293 1.00 31.11 H new ATOM 1523 N GLU A 93 -7.071 20.229 8.329 1.00 52.54 N ATOM 1524 CA GLU A 93 -7.498 19.823 9.671 1.00 23.14 C ATOM 1525 C GLU A 93 -6.284 19.726 10.626 1.00 45.23 C ATOM 1526 O GLU A 93 -5.228 19.193 10.260 1.00 50.34 O ATOM 1527 CB GLU A 93 -8.233 18.454 9.599 1.00 71.45 C ATOM 1528 CG GLU A 93 -7.420 17.337 8.911 1.00 50.02 C ATOM 1529 CD GLU A 93 -8.098 15.965 8.967 1.00 12.23 C ATOM 1530 OE1 GLU A 93 -9.104 15.775 8.263 1.00 72.50 O ATOM 1531 OE2 GLU A 93 -7.636 15.073 9.716 1.00 61.13 O ATOM 0 H GLU A 93 -7.325 19.554 7.608 1.00 52.54 H new ATOM 0 HA GLU A 93 -8.181 20.577 10.062 1.00 23.14 H new ATOM 0 HB2 GLU A 93 -8.484 18.135 10.611 1.00 71.45 H new ATOM 0 HB3 GLU A 93 -9.173 18.586 9.064 1.00 71.45 H new ATOM 0 HG2 GLU A 93 -7.254 17.609 7.869 1.00 50.02 H new ATOM 0 HG3 GLU A 93 -6.440 17.269 9.383 1.00 50.02 H new ATOM 1538 N HIS A 94 -6.447 20.266 11.838 1.00 55.50 N ATOM 1539 CA HIS A 94 -5.407 20.221 12.875 1.00 12.12 C ATOM 1540 C HIS A 94 -5.404 18.826 13.520 1.00 14.22 C ATOM 1541 O HIS A 94 -6.431 18.364 14.032 1.00 12.14 O ATOM 1542 CB HIS A 94 -5.640 21.347 13.909 1.00 53.22 C ATOM 1543 CG HIS A 94 -5.526 22.724 13.304 1.00 73.21 C ATOM 1544 ND1 HIS A 94 -6.573 23.614 13.232 1.00 1.52 N ATOM 1545 CD2 HIS A 94 -4.469 23.341 12.724 1.00 55.52 C ATOM 1546 CE1 HIS A 94 -6.162 24.717 12.631 1.00 3.14 C ATOM 1547 NE2 HIS A 94 -4.892 24.573 12.321 1.00 4.05 N ATOM 0 H HIS A 94 -7.299 20.745 12.129 1.00 55.50 H new ATOM 0 HA HIS A 94 -4.424 20.392 12.436 1.00 12.12 H new ATOM 0 HB2 HIS A 94 -6.629 21.230 14.352 1.00 53.22 H new ATOM 0 HB3 HIS A 94 -4.915 21.248 14.717 1.00 53.22 H new ATOM 0 HD2 HIS A 94 -3.476 22.933 12.603 1.00 55.52 H new ATOM 0 HE1 HIS A 94 -6.767 25.589 12.429 1.00 3.14 H new ATOM 0 HE2 HIS A 94 -4.315 25.272 11.853 1.00 4.05 H new ATOM 1556 N HIS A 95 -4.237 18.164 13.483 1.00 15.53 N ATOM 1557 CA HIS A 95 -4.098 16.734 13.839 1.00 44.52 C ATOM 1558 C HIS A 95 -3.758 16.572 15.340 1.00 51.41 C ATOM 1559 O HIS A 95 -2.799 15.874 15.705 1.00 62.15 O ATOM 1560 CB HIS A 95 -3.019 16.080 12.926 1.00 54.01 C ATOM 1561 CG HIS A 95 -3.244 16.285 11.449 1.00 4.44 C ATOM 1562 ND1 HIS A 95 -4.249 15.668 10.739 1.00 21.22 N ATOM 1563 CD2 HIS A 95 -2.581 17.052 10.551 1.00 54.32 C ATOM 1564 CE1 HIS A 95 -4.184 16.039 9.476 1.00 41.11 C ATOM 1565 NE2 HIS A 95 -3.185 16.876 9.341 1.00 40.54 N ATOM 0 H HIS A 95 -3.359 18.602 13.205 1.00 15.53 H new ATOM 0 HA HIS A 95 -5.046 16.223 13.673 1.00 44.52 H new ATOM 0 HB2 HIS A 95 -2.042 16.484 13.192 1.00 54.01 H new ATOM 0 HB3 HIS A 95 -2.987 15.010 13.131 1.00 54.01 H new ATOM 0 HD1 HIS A 95 -4.937 15.024 11.130 1.00 21.22 H new ATOM 0 HD2 HIS A 95 -1.731 17.686 10.755 1.00 54.32 H new ATOM 0 HE1 HIS A 95 -4.843 15.709 8.686 1.00 41.11 H new ATOM 1574 N HIS A 96 -4.570 17.248 16.190 1.00 3.21 N ATOM 1575 CA HIS A 96 -4.498 17.189 17.675 1.00 20.01 C ATOM 1576 C HIS A 96 -3.258 17.914 18.240 1.00 61.35 C ATOM 1577 O HIS A 96 -2.203 17.978 17.600 1.00 53.12 O ATOM 1578 CB HIS A 96 -4.597 15.729 18.210 1.00 63.41 C ATOM 1579 CG HIS A 96 -5.950 15.089 18.015 1.00 74.30 C ATOM 1580 ND1 HIS A 96 -6.714 14.601 19.057 1.00 22.11 N ATOM 1581 CD2 HIS A 96 -6.670 14.855 16.893 1.00 4.50 C ATOM 1582 CE1 HIS A 96 -7.831 14.096 18.581 1.00 14.43 C ATOM 1583 NE2 HIS A 96 -7.831 14.234 17.272 1.00 3.54 N ATOM 0 H HIS A 96 -5.311 17.864 15.856 1.00 3.21 H new ATOM 0 HA HIS A 96 -5.372 17.729 18.040 1.00 20.01 H new ATOM 0 HB2 HIS A 96 -3.844 15.119 17.711 1.00 63.41 H new ATOM 0 HB3 HIS A 96 -4.356 15.726 19.273 1.00 63.41 H new ATOM 0 HD2 HIS A 96 -6.382 15.111 15.884 1.00 4.50 H new ATOM 0 HE1 HIS A 96 -8.617 13.643 19.167 1.00 14.43 H new ATOM 0 HE2 HIS A 96 -8.574 13.929 16.643 1.00 3.54 H new ATOM 1592 N HIS A 97 -3.416 18.466 19.457 1.00 74.42 N ATOM 1593 CA HIS A 97 -2.355 19.211 20.172 1.00 14.34 C ATOM 1594 C HIS A 97 -2.766 19.421 21.642 1.00 74.21 C ATOM 1595 O HIS A 97 -3.952 19.297 21.987 1.00 3.34 O ATOM 1596 CB HIS A 97 -2.063 20.585 19.491 1.00 32.45 C ATOM 1597 CG HIS A 97 -3.223 21.553 19.524 1.00 33.24 C ATOM 1598 ND1 HIS A 97 -3.347 22.546 20.474 1.00 42.44 N ATOM 1599 CD2 HIS A 97 -4.321 21.666 18.733 1.00 32.25 C ATOM 1600 CE1 HIS A 97 -4.458 23.217 20.268 1.00 64.35 C ATOM 1601 NE2 HIS A 97 -5.067 22.705 19.223 1.00 63.23 N ATOM 0 H HIS A 97 -4.290 18.409 19.979 1.00 74.42 H new ATOM 0 HA HIS A 97 -1.439 18.621 20.132 1.00 14.34 H new ATOM 0 HB2 HIS A 97 -1.206 21.046 19.982 1.00 32.45 H new ATOM 0 HB3 HIS A 97 -1.780 20.410 18.453 1.00 32.45 H new ATOM 0 HD1 HIS A 97 -2.679 22.731 21.222 1.00 42.44 H new ATOM 0 HD2 HIS A 97 -4.561 21.052 17.878 1.00 32.25 H new ATOM 0 HE1 HIS A 97 -4.811 24.049 20.859 1.00 64.35 H new ATOM 1610 N HIS A 98 -1.780 19.766 22.489 1.00 22.40 N ATOM 1611 CA HIS A 98 -1.998 20.043 23.926 1.00 24.10 C ATOM 1612 C HIS A 98 -2.672 21.419 24.121 1.00 53.43 C ATOM 1613 O HIS A 98 -2.596 22.292 23.249 1.00 23.40 O ATOM 1614 CB HIS A 98 -0.652 19.994 24.713 1.00 10.43 C ATOM 1615 CG HIS A 98 -0.041 18.619 24.835 1.00 24.42 C ATOM 1616 ND1 HIS A 98 -0.083 17.871 25.997 1.00 72.35 N ATOM 1617 CD2 HIS A 98 0.648 17.874 23.943 1.00 74.12 C ATOM 1618 CE1 HIS A 98 0.545 16.728 25.803 1.00 51.21 C ATOM 1619 NE2 HIS A 98 0.997 16.705 24.569 1.00 34.23 N ATOM 0 H HIS A 98 -0.807 19.862 22.199 1.00 22.40 H new ATOM 0 HA HIS A 98 -2.658 19.269 24.318 1.00 24.10 H new ATOM 0 HB2 HIS A 98 0.064 20.652 24.222 1.00 10.43 H new ATOM 0 HB3 HIS A 98 -0.817 20.393 25.714 1.00 10.43 H new ATOM 0 HD2 HIS A 98 0.881 18.149 22.925 1.00 74.12 H new ATOM 0 HE1 HIS A 98 0.667 15.943 26.535 1.00 51.21 H new ATOM 0 HE2 HIS A 98 1.523 15.941 24.145 1.00 34.23 H new ATOM 1628 N HIS A 99 -3.329 21.587 25.283 1.00 52.12 N ATOM 1629 CA HIS A 99 -3.968 22.855 25.692 1.00 74.22 C ATOM 1630 C HIS A 99 -3.258 23.372 26.965 1.00 21.55 C ATOM 1631 O HIS A 99 -3.577 22.891 28.073 1.00 31.02 O ATOM 1632 CB HIS A 99 -5.496 22.659 25.920 1.00 71.01 C ATOM 1633 CG HIS A 99 -6.261 22.286 24.672 1.00 50.22 C ATOM 1634 ND1 HIS A 99 -6.584 20.987 24.355 1.00 0.31 N ATOM 1635 CD2 HIS A 99 -6.737 23.045 23.655 1.00 31.01 C ATOM 1636 CE1 HIS A 99 -7.223 20.964 23.203 1.00 1.54 C ATOM 1637 NE2 HIS A 99 -7.331 22.198 22.759 1.00 72.25 N ATOM 1638 OXT HIS A 99 -2.345 24.217 26.848 1.00 38.15 O ATOM 0 H HIS A 99 -3.433 20.842 25.971 1.00 52.12 H new ATOM 0 HA HIS A 99 -3.866 23.597 24.900 1.00 74.22 H new ATOM 0 HB2 HIS A 99 -5.644 21.882 26.670 1.00 71.01 H new ATOM 0 HB3 HIS A 99 -5.913 23.580 26.328 1.00 71.01 H new ATOM 0 HD2 HIS A 99 -6.662 24.119 23.568 1.00 31.01 H new ATOM 0 HE1 HIS A 99 -7.596 20.080 22.706 1.00 1.54 H new ATOM 0 HE2 HIS A 99 -7.784 22.478 21.889 1.00 72.25 H new TER 1647 HIS A 99