USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 887 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 63 GLN : amide:sc= 0.0924 X(o=-1.3,f=-1.5) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.141 K(o=-1.3,f=-2.2) USER MOD Set 1.3: A 70 GLN : amide:sc= -1.53 X(o=-1.3,f=-1) USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 59 ASN : amide:sc= -0.598 K(o=-0.6,f=-3.2!) USER MOD Set 3.1: A 19 GLN :FLIP amide:sc= 0.979 F(o=-1.2,f=2.1) USER MOD Set 3.2: A 33 THR OG1 : rot -94:sc= 1.16 USER MOD Set 4.1: A 3 LYS NZ :NH3+ 173:sc= 1.23 (180deg=0.572) USER MOD Set 4.2: A 101 THR OG1 : rot 180:sc= 0.698 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.61 (180deg=0.894) USER MOD Single : A 9 SER OG : rot -60:sc= 1.07 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 150:sc= 0.0667 USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= -0.918 (180deg=-2.85!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.0418 X(o=0.042,f=0) USER MOD Single : A 26 TYR OH : rot 110:sc= -0.25 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc=-0.00249 X(o=-0.0025,f=-0.27) USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 0.579 (180deg=0.283) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -173:sc= -2.28! (180deg=-2.32) USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= 0.753 (180deg=-0.0405) USER MOD Single : A 50 ASN : amide:sc= 0.598 K(o=0.6,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 142:sc= 0.654 (180deg=-1.7!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.232 K(o=-0.23,f=-3.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 0.408 (180deg=0.321) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0415) USER MOD Single : A 85 SER OG : rot 33:sc= 0.289 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 79:sc= 0.86 USER MOD Single : A 93 GLN : amide:sc= -0.373 K(o=-0.37,f=-2.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 7:sc= 0.27 USER MOD Single : A 107 HIS : no HE2:sc= 0.377 K(o=0.38,f=-1.5) USER MOD Single : A 108 HIS : no HD1:sc=-0.00821 X(o=-0.0082,f=-0.0082) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.105 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.262 14.983 4.043 1.00 33.14 N ATOM 2 CA MET A 1 5.285 15.136 2.933 1.00 55.24 C ATOM 3 C MET A 1 5.048 13.786 2.247 1.00 52.40 C ATOM 4 O MET A 1 5.663 12.783 2.615 1.00 10.11 O ATOM 5 CB MET A 1 5.763 16.206 1.913 1.00 23.32 C ATOM 6 CG MET A 1 5.752 17.645 2.446 1.00 52.32 C ATOM 7 SD MET A 1 6.830 17.892 3.871 1.00 64.44 S ATOM 8 CE MET A 1 6.672 19.656 4.137 1.00 33.24 C ATOM 0 H1 MET A 1 6.883 15.816 4.076 1.00 33.14 H new ATOM 0 H2 MET A 1 5.752 14.896 4.945 1.00 33.14 H new ATOM 0 H3 MET A 1 6.835 14.130 3.886 1.00 33.14 H new ATOM 0 HA MET A 1 4.339 15.480 3.350 1.00 55.24 H new ATOM 0 HB2 MET A 1 6.775 15.958 1.594 1.00 23.32 H new ATOM 0 HB3 MET A 1 5.128 16.155 1.028 1.00 23.32 H new ATOM 0 HG2 MET A 1 6.057 18.322 1.648 1.00 52.32 H new ATOM 0 HG3 MET A 1 4.732 17.915 2.721 1.00 52.32 H new ATOM 0 HE1 MET A 1 7.285 19.952 4.988 1.00 33.24 H new ATOM 0 HE2 MET A 1 7.005 20.189 3.247 1.00 33.24 H new ATOM 0 HE3 MET A 1 5.629 19.902 4.338 1.00 33.24 H new ATOM 20 N GLY A 2 4.147 13.772 1.240 1.00 20.32 N ATOM 21 CA GLY A 2 3.676 12.520 0.633 1.00 42.05 C ATOM 22 C GLY A 2 2.717 11.774 1.557 1.00 53.34 C ATOM 23 O GLY A 2 2.490 12.203 2.699 1.00 21.31 O ATOM 0 H GLY A 2 3.736 14.613 0.836 1.00 20.32 H new ATOM 0 HA2 GLY A 2 3.177 12.738 -0.311 1.00 42.05 H new ATOM 0 HA3 GLY A 2 4.530 11.883 0.403 1.00 42.05 H new ATOM 27 N LYS A 3 2.138 10.670 1.070 1.00 60.42 N ATOM 28 CA LYS A 3 1.203 9.855 1.862 1.00 64.32 C ATOM 29 C LYS A 3 1.006 8.501 1.183 1.00 2.52 C ATOM 30 O LYS A 3 0.796 8.444 -0.034 1.00 11.31 O ATOM 31 CB LYS A 3 -0.157 10.591 2.050 1.00 52.44 C ATOM 32 CG LYS A 3 -1.116 9.923 3.069 1.00 3.20 C ATOM 33 CD LYS A 3 -2.344 10.803 3.393 1.00 71.21 C ATOM 34 CE LYS A 3 -1.965 12.087 4.150 1.00 20.50 C ATOM 35 NZ LYS A 3 -3.134 12.980 4.356 1.00 61.41 N ATOM 0 H LYS A 3 2.300 10.318 0.127 1.00 60.42 H new ATOM 0 HA LYS A 3 1.625 9.694 2.854 1.00 64.32 H new ATOM 0 HB2 LYS A 3 0.040 11.614 2.372 1.00 52.44 H new ATOM 0 HB3 LYS A 3 -0.659 10.652 1.084 1.00 52.44 H new ATOM 0 HG2 LYS A 3 -1.454 8.966 2.671 1.00 3.20 H new ATOM 0 HG3 LYS A 3 -0.572 9.711 3.990 1.00 3.20 H new ATOM 0 HD2 LYS A 3 -2.852 11.068 2.466 1.00 71.21 H new ATOM 0 HD3 LYS A 3 -3.051 10.228 3.991 1.00 71.21 H new ATOM 0 HE2 LYS A 3 -1.536 11.824 5.117 1.00 20.50 H new ATOM 0 HE3 LYS A 3 -1.195 12.621 3.594 1.00 20.50 H new ATOM 0 HZ1 LYS A 3 -2.861 13.774 4.970 1.00 61.41 H new ATOM 0 HZ2 LYS A 3 -3.456 13.348 3.438 1.00 61.41 H new ATOM 0 HZ3 LYS A 3 -3.905 12.445 4.804 1.00 61.41 H new ATOM 49 N VAL A 4 1.084 7.407 1.954 1.00 42.33 N ATOM 50 CA VAL A 4 0.918 6.050 1.410 1.00 13.32 C ATOM 51 C VAL A 4 0.111 5.162 2.365 1.00 13.33 C ATOM 52 O VAL A 4 0.244 5.255 3.590 1.00 63.30 O ATOM 53 CB VAL A 4 2.303 5.390 1.054 1.00 64.12 C ATOM 54 CG1 VAL A 4 3.166 5.118 2.287 1.00 52.22 C ATOM 55 CG2 VAL A 4 2.127 4.118 0.212 1.00 60.42 C ATOM 0 H VAL A 4 1.261 7.435 2.958 1.00 42.33 H new ATOM 0 HA VAL A 4 0.354 6.142 0.482 1.00 13.32 H new ATOM 0 HB VAL A 4 2.839 6.122 0.450 1.00 64.12 H new ATOM 0 HG11 VAL A 4 4.107 4.663 1.979 1.00 52.22 H new ATOM 0 HG12 VAL A 4 3.368 6.056 2.804 1.00 52.22 H new ATOM 0 HG13 VAL A 4 2.638 4.441 2.958 1.00 52.22 H new ATOM 0 HG21 VAL A 4 3.105 3.692 -0.013 1.00 60.42 H new ATOM 0 HG22 VAL A 4 1.535 3.392 0.769 1.00 60.42 H new ATOM 0 HG23 VAL A 4 1.616 4.365 -0.719 1.00 60.42 H new ATOM 65 N LEU A 5 -0.764 4.327 1.781 1.00 14.11 N ATOM 66 CA LEU A 5 -1.547 3.333 2.517 1.00 22.52 C ATOM 67 C LEU A 5 -0.886 1.965 2.333 1.00 24.34 C ATOM 68 O LEU A 5 -1.038 1.328 1.282 1.00 20.35 O ATOM 69 CB LEU A 5 -3.019 3.312 2.019 1.00 62.41 C ATOM 70 CG LEU A 5 -3.983 2.349 2.783 1.00 4.51 C ATOM 71 CD1 LEU A 5 -4.045 2.679 4.283 1.00 23.34 C ATOM 72 CD2 LEU A 5 -5.394 2.345 2.150 1.00 23.45 C ATOM 0 H LEU A 5 -0.946 4.326 0.777 1.00 14.11 H new ATOM 0 HA LEU A 5 -1.569 3.589 3.576 1.00 22.52 H new ATOM 0 HB2 LEU A 5 -3.419 4.324 2.085 1.00 62.41 H new ATOM 0 HB3 LEU A 5 -3.022 3.037 0.964 1.00 62.41 H new ATOM 0 HG LEU A 5 -3.575 1.343 2.689 1.00 4.51 H new ATOM 0 HD11 LEU A 5 -4.726 1.988 4.780 1.00 23.34 H new ATOM 0 HD12 LEU A 5 -3.050 2.584 4.718 1.00 23.34 H new ATOM 0 HD13 LEU A 5 -4.403 3.700 4.416 1.00 23.34 H new ATOM 0 HD21 LEU A 5 -6.040 1.665 2.705 1.00 23.45 H new ATOM 0 HD22 LEU A 5 -5.811 3.351 2.185 1.00 23.45 H new ATOM 0 HD23 LEU A 5 -5.327 2.016 1.113 1.00 23.45 H new ATOM 84 N LEU A 6 -0.096 1.562 3.329 1.00 14.22 N ATOM 85 CA LEU A 6 0.527 0.237 3.371 1.00 30.23 C ATOM 86 C LEU A 6 -0.553 -0.811 3.742 1.00 14.20 C ATOM 87 O LEU A 6 -0.817 -1.057 4.923 1.00 10.22 O ATOM 88 CB LEU A 6 1.701 0.268 4.404 1.00 2.21 C ATOM 89 CG LEU A 6 2.566 -1.026 4.547 1.00 10.33 C ATOM 90 CD1 LEU A 6 3.261 -1.388 3.224 1.00 3.24 C ATOM 91 CD2 LEU A 6 3.594 -0.879 5.700 1.00 53.23 C ATOM 0 H LEU A 6 0.131 2.147 4.133 1.00 14.22 H new ATOM 0 HA LEU A 6 0.941 -0.039 2.401 1.00 30.23 H new ATOM 0 HB2 LEU A 6 2.365 1.089 4.135 1.00 2.21 H new ATOM 0 HB3 LEU A 6 1.283 0.504 5.383 1.00 2.21 H new ATOM 0 HG LEU A 6 1.895 -1.848 4.797 1.00 10.33 H new ATOM 0 HD11 LEU A 6 3.854 -2.293 3.360 1.00 3.24 H new ATOM 0 HD12 LEU A 6 2.510 -1.559 2.453 1.00 3.24 H new ATOM 0 HD13 LEU A 6 3.913 -0.569 2.920 1.00 3.24 H new ATOM 0 HD21 LEU A 6 4.184 -1.792 5.780 1.00 53.23 H new ATOM 0 HD22 LEU A 6 4.255 -0.037 5.493 1.00 53.23 H new ATOM 0 HD23 LEU A 6 3.066 -0.705 6.638 1.00 53.23 H new ATOM 103 N VAL A 7 -1.198 -1.382 2.707 1.00 53.03 N ATOM 104 CA VAL A 7 -2.229 -2.427 2.854 1.00 25.53 C ATOM 105 C VAL A 7 -1.542 -3.788 2.998 1.00 61.35 C ATOM 106 O VAL A 7 -0.818 -4.217 2.092 1.00 61.00 O ATOM 107 CB VAL A 7 -3.211 -2.469 1.618 1.00 64.42 C ATOM 108 CG1 VAL A 7 -4.306 -3.550 1.787 1.00 64.34 C ATOM 109 CG2 VAL A 7 -3.832 -1.086 1.362 1.00 72.54 C ATOM 0 H VAL A 7 -1.016 -1.128 1.736 1.00 53.03 H new ATOM 0 HA VAL A 7 -2.820 -2.194 3.740 1.00 25.53 H new ATOM 0 HB VAL A 7 -2.621 -2.744 0.744 1.00 64.42 H new ATOM 0 HG11 VAL A 7 -4.960 -3.545 0.915 1.00 64.34 H new ATOM 0 HG12 VAL A 7 -3.838 -4.530 1.884 1.00 64.34 H new ATOM 0 HG13 VAL A 7 -4.892 -3.337 2.681 1.00 64.34 H new ATOM 0 HG21 VAL A 7 -4.504 -1.142 0.506 1.00 72.54 H new ATOM 0 HG22 VAL A 7 -4.391 -0.770 2.242 1.00 72.54 H new ATOM 0 HG23 VAL A 7 -3.041 -0.365 1.156 1.00 72.54 H new ATOM 119 N ILE A 8 -1.772 -4.458 4.134 1.00 1.53 N ATOM 120 CA ILE A 8 -1.129 -5.729 4.465 1.00 42.14 C ATOM 121 C ILE A 8 -2.195 -6.814 4.673 1.00 64.43 C ATOM 122 O ILE A 8 -3.063 -6.682 5.551 1.00 31.15 O ATOM 123 CB ILE A 8 -0.246 -5.601 5.759 1.00 34.55 C ATOM 124 CG1 ILE A 8 0.742 -4.398 5.642 1.00 44.11 C ATOM 125 CG2 ILE A 8 0.519 -6.919 6.033 1.00 12.55 C ATOM 126 CD1 ILE A 8 1.562 -4.137 6.883 1.00 45.41 C ATOM 0 H ILE A 8 -2.416 -4.128 4.853 1.00 1.53 H new ATOM 0 HA ILE A 8 -0.480 -6.006 3.634 1.00 42.14 H new ATOM 0 HB ILE A 8 -0.908 -5.411 6.604 1.00 34.55 H new ATOM 0 HG12 ILE A 8 1.418 -4.580 4.807 1.00 44.11 H new ATOM 0 HG13 ILE A 8 0.173 -3.499 5.402 1.00 44.11 H new ATOM 0 HG21 ILE A 8 1.124 -6.808 6.933 1.00 12.55 H new ATOM 0 HG22 ILE A 8 -0.194 -7.731 6.173 1.00 12.55 H new ATOM 0 HG23 ILE A 8 1.167 -7.147 5.186 1.00 12.55 H new ATOM 0 HD11 ILE A 8 2.220 -3.285 6.712 1.00 45.41 H new ATOM 0 HD12 ILE A 8 0.897 -3.920 7.719 1.00 45.41 H new ATOM 0 HD13 ILE A 8 2.162 -5.017 7.115 1.00 45.41 H new ATOM 138 N SER A 9 -2.133 -7.858 3.838 1.00 52.01 N ATOM 139 CA SER A 9 -2.931 -9.076 3.981 1.00 44.03 C ATOM 140 C SER A 9 -2.036 -10.273 3.618 1.00 15.04 C ATOM 141 O SER A 9 -1.203 -10.174 2.705 1.00 40.23 O ATOM 142 CB SER A 9 -4.167 -9.045 3.040 1.00 25.42 C ATOM 143 OG SER A 9 -4.851 -7.806 3.097 1.00 23.33 O ATOM 0 H SER A 9 -1.513 -7.878 3.028 1.00 52.01 H new ATOM 0 HA SER A 9 -3.293 -9.157 5.006 1.00 44.03 H new ATOM 0 HB2 SER A 9 -3.847 -9.235 2.016 1.00 25.42 H new ATOM 0 HB3 SER A 9 -4.851 -9.849 3.314 1.00 25.42 H new ATOM 0 HG SER A 9 -5.158 -7.643 4.014 1.00 23.33 H new ATOM 149 N THR A 10 -2.193 -11.383 4.341 1.00 50.41 N ATOM 150 CA THR A 10 -1.529 -12.651 3.990 1.00 65.44 C ATOM 151 C THR A 10 -2.352 -13.392 2.924 1.00 11.43 C ATOM 152 O THR A 10 -1.801 -14.136 2.109 1.00 12.23 O ATOM 153 CB THR A 10 -1.299 -13.549 5.254 1.00 41.52 C ATOM 154 OG1 THR A 10 -0.642 -14.778 4.894 1.00 34.33 O ATOM 155 CG2 THR A 10 -2.601 -13.865 6.009 1.00 51.03 C ATOM 0 H THR A 10 -2.775 -11.435 5.177 1.00 50.41 H new ATOM 0 HA THR A 10 -0.546 -12.423 3.579 1.00 65.44 H new ATOM 0 HB THR A 10 -0.662 -12.972 5.925 1.00 41.52 H new ATOM 0 HG1 THR A 10 -0.506 -15.324 5.697 1.00 34.33 H new ATOM 0 HG21 THR A 10 -2.378 -14.490 6.874 1.00 51.03 H new ATOM 0 HG22 THR A 10 -3.063 -12.936 6.342 1.00 51.03 H new ATOM 0 HG23 THR A 10 -3.286 -14.394 5.347 1.00 51.03 H new ATOM 163 N ASP A 11 -3.675 -13.168 2.944 1.00 72.52 N ATOM 164 CA ASP A 11 -4.606 -13.691 1.939 1.00 4.43 C ATOM 165 C ASP A 11 -4.506 -12.831 0.661 1.00 3.30 C ATOM 166 O ASP A 11 -5.162 -11.786 0.541 1.00 23.41 O ATOM 167 CB ASP A 11 -6.052 -13.695 2.501 1.00 11.44 C ATOM 168 CG ASP A 11 -6.232 -14.605 3.731 1.00 3.04 C ATOM 169 OD1 ASP A 11 -5.841 -14.201 4.846 1.00 23.11 O ATOM 170 OD2 ASP A 11 -6.759 -15.730 3.589 1.00 3.30 O ATOM 0 H ASP A 11 -4.131 -12.612 3.668 1.00 72.52 H new ATOM 0 HA ASP A 11 -4.344 -14.719 1.691 1.00 4.43 H new ATOM 0 HB2 ASP A 11 -6.332 -12.676 2.769 1.00 11.44 H new ATOM 0 HB3 ASP A 11 -6.737 -14.018 1.717 1.00 11.44 H new ATOM 175 N THR A 12 -3.650 -13.276 -0.277 1.00 73.21 N ATOM 176 CA THR A 12 -3.335 -12.539 -1.519 1.00 65.41 C ATOM 177 C THR A 12 -4.534 -12.523 -2.504 1.00 23.22 C ATOM 178 O THR A 12 -4.584 -11.699 -3.427 1.00 33.22 O ATOM 179 CB THR A 12 -2.034 -13.115 -2.188 1.00 4.33 C ATOM 180 OG1 THR A 12 -1.032 -13.324 -1.169 1.00 51.30 O ATOM 181 CG2 THR A 12 -1.462 -12.161 -3.254 1.00 3.43 C ATOM 0 H THR A 12 -3.153 -14.163 -0.196 1.00 73.21 H new ATOM 0 HA THR A 12 -3.143 -11.500 -1.252 1.00 65.41 H new ATOM 0 HB THR A 12 -2.299 -14.052 -2.677 1.00 4.33 H new ATOM 0 HG1 THR A 12 -0.218 -13.685 -1.579 1.00 51.30 H new ATOM 0 HG21 THR A 12 -0.564 -12.599 -3.690 1.00 3.43 H new ATOM 0 HG22 THR A 12 -2.205 -12.002 -4.036 1.00 3.43 H new ATOM 0 HG23 THR A 12 -1.212 -11.206 -2.791 1.00 3.43 H new ATOM 189 N ASN A 13 -5.509 -13.418 -2.264 1.00 30.12 N ATOM 190 CA ASN A 13 -6.792 -13.440 -2.999 1.00 71.41 C ATOM 191 C ASN A 13 -7.619 -12.188 -2.685 1.00 21.32 C ATOM 192 O ASN A 13 -8.240 -11.615 -3.581 1.00 64.14 O ATOM 193 CB ASN A 13 -7.620 -14.705 -2.652 1.00 13.34 C ATOM 194 CG ASN A 13 -6.899 -15.998 -3.021 1.00 54.34 C ATOM 195 OD1 ASN A 13 -6.140 -16.555 -2.220 1.00 62.41 O ATOM 196 ND2 ASN A 13 -7.115 -16.479 -4.241 1.00 3.02 N ATOM 0 H ASN A 13 -5.432 -14.148 -1.555 1.00 30.12 H new ATOM 0 HA ASN A 13 -6.556 -13.458 -4.063 1.00 71.41 H new ATOM 0 HB2 ASN A 13 -7.841 -14.709 -1.585 1.00 13.34 H new ATOM 0 HB3 ASN A 13 -8.575 -14.664 -3.175 1.00 13.34 H new ATOM 0 HD21 ASN A 13 -6.648 -17.334 -4.542 1.00 3.02 H new ATOM 0 HD22 ASN A 13 -7.748 -15.993 -4.876 1.00 3.02 H new ATOM 203 N ILE A 14 -7.611 -11.776 -1.398 1.00 71.30 N ATOM 204 CA ILE A 14 -8.306 -10.557 -0.941 1.00 3.43 C ATOM 205 C ILE A 14 -7.642 -9.320 -1.574 1.00 65.21 C ATOM 206 O ILE A 14 -8.323 -8.455 -2.123 1.00 32.33 O ATOM 207 CB ILE A 14 -8.282 -10.424 0.629 1.00 42.12 C ATOM 208 CG1 ILE A 14 -8.857 -11.701 1.323 1.00 22.00 C ATOM 209 CG2 ILE A 14 -9.032 -9.158 1.099 1.00 40.41 C ATOM 210 CD1 ILE A 14 -10.313 -12.026 1.010 1.00 72.31 C ATOM 0 H ILE A 14 -7.126 -12.276 -0.653 1.00 71.30 H new ATOM 0 HA ILE A 14 -9.348 -10.627 -1.254 1.00 3.43 H new ATOM 0 HB ILE A 14 -7.238 -10.326 0.927 1.00 42.12 H new ATOM 0 HG12 ILE A 14 -8.244 -12.555 1.036 1.00 22.00 H new ATOM 0 HG13 ILE A 14 -8.754 -11.583 2.402 1.00 22.00 H new ATOM 0 HG21 ILE A 14 -8.996 -9.097 2.187 1.00 40.41 H new ATOM 0 HG22 ILE A 14 -8.559 -8.275 0.670 1.00 40.41 H new ATOM 0 HG23 ILE A 14 -10.071 -9.208 0.772 1.00 40.41 H new ATOM 0 HD11 ILE A 14 -10.607 -12.930 1.544 1.00 72.31 H new ATOM 0 HD12 ILE A 14 -10.947 -11.197 1.325 1.00 72.31 H new ATOM 0 HD13 ILE A 14 -10.428 -12.184 -0.062 1.00 72.31 H new ATOM 222 N ILE A 15 -6.291 -9.289 -1.495 1.00 53.53 N ATOM 223 CA ILE A 15 -5.447 -8.231 -2.087 1.00 2.11 C ATOM 224 C ILE A 15 -5.789 -8.013 -3.568 1.00 53.44 C ATOM 225 O ILE A 15 -6.137 -6.902 -3.977 1.00 73.40 O ATOM 226 CB ILE A 15 -3.923 -8.605 -1.962 1.00 42.44 C ATOM 227 CG1 ILE A 15 -3.510 -8.707 -0.470 1.00 31.24 C ATOM 228 CG2 ILE A 15 -3.027 -7.604 -2.727 1.00 61.44 C ATOM 229 CD1 ILE A 15 -2.100 -9.203 -0.250 1.00 4.44 C ATOM 0 H ILE A 15 -5.752 -10.008 -1.012 1.00 53.53 H new ATOM 0 HA ILE A 15 -5.644 -7.310 -1.538 1.00 2.11 H new ATOM 0 HB ILE A 15 -3.777 -9.582 -2.424 1.00 42.44 H new ATOM 0 HG12 ILE A 15 -3.614 -7.725 -0.008 1.00 31.24 H new ATOM 0 HG13 ILE A 15 -4.202 -9.375 0.042 1.00 31.24 H new ATOM 0 HG21 ILE A 15 -1.982 -7.894 -2.618 1.00 61.44 H new ATOM 0 HG22 ILE A 15 -3.297 -7.608 -3.783 1.00 61.44 H new ATOM 0 HG23 ILE A 15 -3.170 -6.603 -2.320 1.00 61.44 H new ATOM 0 HD11 ILE A 15 -1.892 -9.245 0.819 1.00 4.44 H new ATOM 0 HD12 ILE A 15 -1.993 -10.199 -0.680 1.00 4.44 H new ATOM 0 HD13 ILE A 15 -1.396 -8.523 -0.730 1.00 4.44 H new ATOM 241 N SER A 16 -5.717 -9.116 -4.332 1.00 53.01 N ATOM 242 CA SER A 16 -5.947 -9.122 -5.777 1.00 2.33 C ATOM 243 C SER A 16 -7.363 -8.626 -6.105 1.00 23.11 C ATOM 244 O SER A 16 -7.525 -7.687 -6.885 1.00 41.44 O ATOM 245 CB SER A 16 -5.714 -10.554 -6.332 1.00 1.15 C ATOM 246 OG SER A 16 -5.908 -10.626 -7.739 1.00 13.12 O ATOM 0 H SER A 16 -5.494 -10.037 -3.954 1.00 53.01 H new ATOM 0 HA SER A 16 -5.243 -8.441 -6.254 1.00 2.33 H new ATOM 0 HB2 SER A 16 -4.701 -10.874 -6.090 1.00 1.15 H new ATOM 0 HB3 SER A 16 -6.394 -11.248 -5.838 1.00 1.15 H new ATOM 0 HG SER A 16 -5.749 -11.544 -8.045 1.00 13.12 H new ATOM 252 N SER A 17 -8.370 -9.225 -5.437 1.00 52.04 N ATOM 253 CA SER A 17 -9.793 -8.939 -5.685 1.00 51.31 C ATOM 254 C SER A 17 -10.118 -7.446 -5.468 1.00 24.51 C ATOM 255 O SER A 17 -10.610 -6.774 -6.384 1.00 41.34 O ATOM 256 CB SER A 17 -10.671 -9.838 -4.782 1.00 44.11 C ATOM 257 OG SER A 17 -12.034 -9.763 -5.140 1.00 22.21 O ATOM 0 H SER A 17 -8.216 -9.922 -4.709 1.00 52.04 H new ATOM 0 HA SER A 17 -10.013 -9.164 -6.729 1.00 51.31 H new ATOM 0 HB2 SER A 17 -10.331 -10.871 -4.856 1.00 44.11 H new ATOM 0 HB3 SER A 17 -10.551 -9.537 -3.741 1.00 44.11 H new ATOM 0 HG SER A 17 -12.473 -10.615 -4.936 1.00 22.21 H new ATOM 263 N VAL A 18 -9.767 -6.938 -4.272 1.00 64.41 N ATOM 264 CA VAL A 18 -10.003 -5.534 -3.874 1.00 32.22 C ATOM 265 C VAL A 18 -9.280 -4.547 -4.805 1.00 60.15 C ATOM 266 O VAL A 18 -9.869 -3.557 -5.240 1.00 10.14 O ATOM 267 CB VAL A 18 -9.539 -5.278 -2.393 1.00 24.31 C ATOM 268 CG1 VAL A 18 -9.608 -3.777 -2.011 1.00 60.01 C ATOM 269 CG2 VAL A 18 -10.366 -6.139 -1.422 1.00 14.11 C ATOM 0 H VAL A 18 -9.309 -7.492 -3.549 1.00 64.41 H new ATOM 0 HA VAL A 18 -11.077 -5.366 -3.952 1.00 32.22 H new ATOM 0 HB VAL A 18 -8.492 -5.572 -2.316 1.00 24.31 H new ATOM 0 HG11 VAL A 18 -9.278 -3.648 -0.980 1.00 60.01 H new ATOM 0 HG12 VAL A 18 -8.960 -3.203 -2.673 1.00 60.01 H new ATOM 0 HG13 VAL A 18 -10.634 -3.423 -2.111 1.00 60.01 H new ATOM 0 HG21 VAL A 18 -10.036 -5.953 -0.400 1.00 14.11 H new ATOM 0 HG22 VAL A 18 -11.421 -5.881 -1.515 1.00 14.11 H new ATOM 0 HG23 VAL A 18 -10.228 -7.193 -1.662 1.00 14.11 H new ATOM 279 N GLN A 19 -8.012 -4.854 -5.108 1.00 3.34 N ATOM 280 CA GLN A 19 -7.138 -3.983 -5.913 1.00 14.43 C ATOM 281 C GLN A 19 -7.701 -3.783 -7.329 1.00 71.21 C ATOM 282 O GLN A 19 -7.668 -2.670 -7.862 1.00 35.44 O ATOM 283 CB GLN A 19 -5.730 -4.605 -5.979 1.00 4.52 C ATOM 284 CG GLN A 19 -4.675 -3.759 -6.691 1.00 53.23 C ATOM 285 CD GLN A 19 -3.358 -4.506 -6.815 1.00 52.00 C ATOM 286 OE1 GLN A 19 -2.523 -4.413 -5.795 1.00 63.42 O flip ATOM 287 NE2 GLN A 19 -3.118 -5.198 -7.803 1.00 53.44 N flip ATOM 0 H GLN A 19 -7.560 -5.716 -4.802 1.00 3.34 H new ATOM 0 HA GLN A 19 -7.086 -3.003 -5.439 1.00 14.43 H new ATOM 0 HB2 GLN A 19 -5.389 -4.801 -4.962 1.00 4.52 H new ATOM 0 HB3 GLN A 19 -5.800 -5.569 -6.483 1.00 4.52 H new ATOM 0 HG2 GLN A 19 -5.035 -3.485 -7.683 1.00 53.23 H new ATOM 0 HG3 GLN A 19 -4.519 -2.831 -6.141 1.00 53.23 H new ATOM 0 HE21 GLN A 19 -3.789 -5.243 -8.570 1.00 53.44 H new ATOM 0 HE22 GLN A 19 -2.248 -5.727 -7.856 1.00 53.44 H new ATOM 296 N GLU A 20 -8.247 -4.870 -7.908 1.00 74.11 N ATOM 297 CA GLU A 20 -8.862 -4.827 -9.243 1.00 23.11 C ATOM 298 C GLU A 20 -10.103 -3.919 -9.237 1.00 13.54 C ATOM 299 O GLU A 20 -10.302 -3.142 -10.168 1.00 2.15 O ATOM 300 CB GLU A 20 -9.236 -6.250 -9.724 1.00 10.20 C ATOM 301 CG GLU A 20 -8.039 -7.207 -9.884 1.00 45.43 C ATOM 302 CD GLU A 20 -6.983 -6.735 -10.896 1.00 24.45 C ATOM 303 OE1 GLU A 20 -7.162 -6.983 -12.109 1.00 72.53 O ATOM 304 OE2 GLU A 20 -5.963 -6.149 -10.480 1.00 53.42 O ATOM 0 H GLU A 20 -8.273 -5.790 -7.468 1.00 74.11 H new ATOM 0 HA GLU A 20 -8.132 -4.413 -9.939 1.00 23.11 H new ATOM 0 HB2 GLU A 20 -9.941 -6.686 -9.016 1.00 10.20 H new ATOM 0 HB3 GLU A 20 -9.753 -6.172 -10.681 1.00 10.20 H new ATOM 0 HG2 GLU A 20 -7.562 -7.338 -8.913 1.00 45.43 H new ATOM 0 HG3 GLU A 20 -8.409 -8.185 -10.192 1.00 45.43 H new ATOM 311 N ARG A 21 -10.903 -4.014 -8.156 1.00 2.33 N ATOM 312 CA ARG A 21 -12.120 -3.197 -7.968 1.00 1.43 C ATOM 313 C ARG A 21 -11.755 -1.715 -7.800 1.00 35.24 C ATOM 314 O ARG A 21 -12.363 -0.851 -8.416 1.00 12.41 O ATOM 315 CB ARG A 21 -12.903 -3.661 -6.708 1.00 13.44 C ATOM 316 CG ARG A 21 -13.279 -5.152 -6.696 1.00 75.31 C ATOM 317 CD ARG A 21 -13.873 -5.598 -5.351 1.00 12.44 C ATOM 318 NE ARG A 21 -13.960 -7.064 -5.248 1.00 52.33 N ATOM 319 CZ ARG A 21 -14.582 -7.741 -4.267 1.00 13.20 C ATOM 320 NH1 ARG A 21 -15.196 -7.103 -3.272 1.00 64.51 N ATOM 321 NH2 ARG A 21 -14.599 -9.062 -4.300 1.00 23.55 N ATOM 0 H ARG A 21 -10.724 -4.660 -7.387 1.00 2.33 H new ATOM 0 HA ARG A 21 -12.743 -3.324 -8.854 1.00 1.43 H new ATOM 0 HB2 ARG A 21 -12.303 -3.445 -5.824 1.00 13.44 H new ATOM 0 HB3 ARG A 21 -13.815 -3.070 -6.626 1.00 13.44 H new ATOM 0 HG2 ARG A 21 -13.999 -5.348 -7.490 1.00 75.31 H new ATOM 0 HG3 ARG A 21 -12.393 -5.749 -6.914 1.00 75.31 H new ATOM 0 HD2 ARG A 21 -13.259 -5.213 -4.537 1.00 12.44 H new ATOM 0 HD3 ARG A 21 -14.867 -5.166 -5.232 1.00 12.44 H new ATOM 0 HE ARG A 21 -13.511 -7.612 -5.982 1.00 52.33 H new ATOM 0 HH11 ARG A 21 -15.200 -6.083 -3.245 1.00 64.51 H new ATOM 0 HH12 ARG A 21 -15.663 -7.634 -2.537 1.00 64.51 H new ATOM 0 HH21 ARG A 21 -14.143 -9.559 -5.065 1.00 23.55 H new ATOM 0 HH22 ARG A 21 -15.068 -9.585 -3.560 1.00 23.55 H new ATOM 335 N ALA A 22 -10.720 -1.468 -6.980 1.00 73.50 N ATOM 336 CA ALA A 22 -10.319 -0.119 -6.549 1.00 32.20 C ATOM 337 C ALA A 22 -9.737 0.693 -7.711 1.00 22.52 C ATOM 338 O ALA A 22 -10.110 1.847 -7.923 1.00 12.42 O ATOM 339 CB ALA A 22 -9.304 -0.227 -5.395 1.00 73.31 C ATOM 0 H ALA A 22 -10.132 -2.207 -6.594 1.00 73.50 H new ATOM 0 HA ALA A 22 -11.206 0.410 -6.199 1.00 32.20 H new ATOM 0 HB1 ALA A 22 -9.008 0.772 -5.076 1.00 73.31 H new ATOM 0 HB2 ALA A 22 -9.760 -0.754 -4.557 1.00 73.31 H new ATOM 0 HB3 ALA A 22 -8.425 -0.775 -5.734 1.00 73.31 H new ATOM 345 N LYS A 23 -8.832 0.064 -8.467 1.00 60.32 N ATOM 346 CA LYS A 23 -8.156 0.697 -9.614 1.00 72.44 C ATOM 347 C LYS A 23 -9.119 0.882 -10.806 1.00 34.25 C ATOM 348 O LYS A 23 -8.977 1.825 -11.594 1.00 4.11 O ATOM 349 CB LYS A 23 -6.912 -0.144 -10.016 1.00 53.43 C ATOM 350 CG LYS A 23 -5.836 -0.233 -8.906 1.00 45.32 C ATOM 351 CD LYS A 23 -4.558 -1.026 -9.295 1.00 1.23 C ATOM 352 CE LYS A 23 -3.616 -0.297 -10.282 1.00 54.41 C ATOM 353 NZ LYS A 23 -4.206 -0.104 -11.641 1.00 43.54 N ATOM 0 H LYS A 23 -8.544 -0.901 -8.304 1.00 60.32 H new ATOM 0 HA LYS A 23 -7.826 1.693 -9.318 1.00 72.44 H new ATOM 0 HB2 LYS A 23 -7.235 -1.151 -10.278 1.00 53.43 H new ATOM 0 HB3 LYS A 23 -6.464 0.290 -10.910 1.00 53.43 H new ATOM 0 HG2 LYS A 23 -5.546 0.778 -8.620 1.00 45.32 H new ATOM 0 HG3 LYS A 23 -6.280 -0.698 -8.026 1.00 45.32 H new ATOM 0 HD2 LYS A 23 -4.001 -1.257 -8.387 1.00 1.23 H new ATOM 0 HD3 LYS A 23 -4.858 -1.977 -9.736 1.00 1.23 H new ATOM 0 HE2 LYS A 23 -3.353 0.676 -9.868 1.00 54.41 H new ATOM 0 HE3 LYS A 23 -2.690 -0.865 -10.374 1.00 54.41 H new ATOM 0 HZ1 LYS A 23 -3.468 -0.236 -12.362 1.00 43.54 H new ATOM 0 HZ2 LYS A 23 -4.966 -0.798 -11.791 1.00 43.54 H new ATOM 0 HZ3 LYS A 23 -4.596 0.857 -11.717 1.00 43.54 H new ATOM 367 N HIS A 24 -10.100 -0.028 -10.921 1.00 51.44 N ATOM 368 CA HIS A 24 -11.162 0.038 -11.946 1.00 71.12 C ATOM 369 C HIS A 24 -12.172 1.151 -11.618 1.00 14.14 C ATOM 370 O HIS A 24 -12.590 1.906 -12.502 1.00 41.34 O ATOM 371 CB HIS A 24 -11.884 -1.331 -12.019 1.00 42.12 C ATOM 372 CG HIS A 24 -13.089 -1.383 -12.919 1.00 43.25 C ATOM 373 ND1 HIS A 24 -13.012 -1.299 -14.291 1.00 52.22 N ATOM 374 CD2 HIS A 24 -14.406 -1.506 -12.627 1.00 30.51 C ATOM 375 CE1 HIS A 24 -14.224 -1.361 -14.803 1.00 43.33 C ATOM 376 NE2 HIS A 24 -15.087 -1.485 -13.813 1.00 54.50 N ATOM 0 H HIS A 24 -10.182 -0.836 -10.303 1.00 51.44 H new ATOM 0 HA HIS A 24 -10.709 0.268 -12.911 1.00 71.12 H new ATOM 0 HB2 HIS A 24 -11.169 -2.081 -12.356 1.00 42.12 H new ATOM 0 HB3 HIS A 24 -12.192 -1.613 -11.012 1.00 42.12 H new ATOM 0 HD2 HIS A 24 -14.838 -1.603 -11.642 1.00 30.51 H new ATOM 0 HE1 HIS A 24 -14.469 -1.318 -15.854 1.00 43.33 H new ATOM 0 HE2 HIS A 24 -16.099 -1.554 -13.916 1.00 54.50 H new ATOM 385 N ASN A 25 -12.553 1.221 -10.333 1.00 32.01 N ATOM 386 CA ASN A 25 -13.597 2.143 -9.834 1.00 63.23 C ATOM 387 C ASN A 25 -13.059 3.578 -9.844 1.00 2.44 C ATOM 388 O ASN A 25 -13.795 4.534 -10.102 1.00 23.42 O ATOM 389 CB ASN A 25 -14.024 1.730 -8.389 1.00 10.22 C ATOM 390 CG ASN A 25 -15.440 2.155 -7.959 1.00 5.40 C ATOM 391 OD1 ASN A 25 -16.057 1.486 -7.127 1.00 70.42 O ATOM 392 ND2 ASN A 25 -15.986 3.244 -8.495 1.00 75.23 N ATOM 0 H ASN A 25 -12.145 0.637 -9.603 1.00 32.01 H new ATOM 0 HA ASN A 25 -14.471 2.089 -10.483 1.00 63.23 H new ATOM 0 HB2 ASN A 25 -13.950 0.646 -8.305 1.00 10.22 H new ATOM 0 HB3 ASN A 25 -13.309 2.154 -7.684 1.00 10.22 H new ATOM 0 HD21 ASN A 25 -16.924 3.533 -8.218 1.00 75.23 H new ATOM 0 HD22 ASN A 25 -15.466 3.790 -9.182 1.00 75.23 H new ATOM 399 N TYR A 26 -11.760 3.699 -9.553 1.00 63.32 N ATOM 400 CA TYR A 26 -11.038 4.975 -9.533 1.00 43.21 C ATOM 401 C TYR A 26 -9.953 4.948 -10.648 1.00 72.22 C ATOM 402 O TYR A 26 -8.776 4.670 -10.371 1.00 62.01 O ATOM 403 CB TYR A 26 -10.437 5.200 -8.113 1.00 0.45 C ATOM 404 CG TYR A 26 -11.474 5.076 -6.971 1.00 71.21 C ATOM 405 CD1 TYR A 26 -12.503 6.009 -6.840 1.00 60.21 C ATOM 406 CD2 TYR A 26 -11.434 4.027 -6.037 1.00 51.10 C ATOM 407 CE1 TYR A 26 -13.451 5.904 -5.837 1.00 72.31 C ATOM 408 CE2 TYR A 26 -12.380 3.923 -5.032 1.00 71.34 C ATOM 409 CZ TYR A 26 -13.385 4.863 -4.939 1.00 62.25 C ATOM 410 OH TYR A 26 -14.331 4.756 -3.940 1.00 73.20 O ATOM 0 H TYR A 26 -11.171 2.899 -9.321 1.00 63.32 H new ATOM 0 HA TYR A 26 -11.704 5.813 -9.737 1.00 43.21 H new ATOM 0 HB2 TYR A 26 -9.639 4.476 -7.947 1.00 0.45 H new ATOM 0 HB3 TYR A 26 -9.983 6.190 -8.073 1.00 0.45 H new ATOM 0 HD1 TYR A 26 -12.561 6.832 -7.537 1.00 60.21 H new ATOM 0 HD2 TYR A 26 -10.650 3.287 -6.105 1.00 51.10 H new ATOM 0 HE1 TYR A 26 -14.240 6.637 -5.759 1.00 72.31 H new ATOM 0 HE2 TYR A 26 -12.331 3.109 -4.324 1.00 71.34 H new ATOM 0 HH TYR A 26 -14.911 3.987 -4.120 1.00 73.20 H new ATOM 420 N PRO A 27 -10.353 5.195 -11.949 1.00 52.04 N ATOM 421 CA PRO A 27 -9.445 5.050 -13.126 1.00 22.13 C ATOM 422 C PRO A 27 -8.238 6.012 -13.087 1.00 24.20 C ATOM 423 O PRO A 27 -7.121 5.643 -13.475 1.00 45.22 O ATOM 424 CB PRO A 27 -10.366 5.356 -14.342 1.00 72.32 C ATOM 425 CG PRO A 27 -11.764 5.175 -13.825 1.00 33.32 C ATOM 426 CD PRO A 27 -11.710 5.632 -12.390 1.00 61.55 C ATOM 0 HA PRO A 27 -8.993 4.059 -13.160 1.00 22.13 H new ATOM 0 HB2 PRO A 27 -10.210 6.370 -14.711 1.00 72.32 H new ATOM 0 HB3 PRO A 27 -10.161 4.680 -15.172 1.00 72.32 H new ATOM 0 HG2 PRO A 27 -12.477 5.765 -14.401 1.00 33.32 H new ATOM 0 HG3 PRO A 27 -12.080 4.134 -13.896 1.00 33.32 H new ATOM 0 HD2 PRO A 27 -11.834 6.712 -12.305 1.00 61.55 H new ATOM 0 HD3 PRO A 27 -12.496 5.173 -11.791 1.00 61.55 H new ATOM 434 N GLY A 28 -8.485 7.237 -12.604 1.00 23.14 N ATOM 435 CA GLY A 28 -7.459 8.273 -12.522 1.00 42.20 C ATOM 436 C GLY A 28 -6.900 8.418 -11.117 1.00 73.32 C ATOM 437 O GLY A 28 -6.722 9.537 -10.625 1.00 73.41 O ATOM 0 H GLY A 28 -9.399 7.532 -12.262 1.00 23.14 H new ATOM 0 HA2 GLY A 28 -6.649 8.034 -13.211 1.00 42.20 H new ATOM 0 HA3 GLY A 28 -7.880 9.225 -12.843 1.00 42.20 H new ATOM 441 N ARG A 29 -6.637 7.277 -10.452 1.00 1.12 N ATOM 442 CA ARG A 29 -5.987 7.241 -9.127 1.00 44.42 C ATOM 443 C ARG A 29 -4.833 6.251 -9.163 1.00 72.04 C ATOM 444 O ARG A 29 -4.887 5.251 -9.877 1.00 34.03 O ATOM 445 CB ARG A 29 -6.997 6.875 -8.005 1.00 43.12 C ATOM 446 CG ARG A 29 -8.054 7.966 -7.736 1.00 31.24 C ATOM 447 CD ARG A 29 -7.440 9.298 -7.267 1.00 30.25 C ATOM 448 NE ARG A 29 -8.448 10.365 -7.144 1.00 5.33 N ATOM 449 CZ ARG A 29 -8.311 11.624 -7.597 1.00 54.41 C ATOM 450 NH1 ARG A 29 -7.194 12.004 -8.221 1.00 33.44 N ATOM 451 NH2 ARG A 29 -9.291 12.500 -7.414 1.00 21.52 N ATOM 0 H ARG A 29 -6.869 6.354 -10.818 1.00 1.12 H new ATOM 0 HA ARG A 29 -5.604 8.236 -8.898 1.00 44.42 H new ATOM 0 HB2 ARG A 29 -7.505 5.949 -8.275 1.00 43.12 H new ATOM 0 HB3 ARG A 29 -6.447 6.680 -7.084 1.00 43.12 H new ATOM 0 HG2 ARG A 29 -8.630 8.138 -8.645 1.00 31.24 H new ATOM 0 HG3 ARG A 29 -8.753 7.608 -6.980 1.00 31.24 H new ATOM 0 HD2 ARG A 29 -6.950 9.151 -6.304 1.00 30.25 H new ATOM 0 HD3 ARG A 29 -6.669 9.609 -7.972 1.00 30.25 H new ATOM 0 HE ARG A 29 -9.323 10.129 -6.676 1.00 5.33 H new ATOM 0 HH11 ARG A 29 -6.434 11.337 -8.358 1.00 33.44 H new ATOM 0 HH12 ARG A 29 -7.100 12.961 -8.561 1.00 33.44 H new ATOM 0 HH21 ARG A 29 -10.144 12.218 -6.931 1.00 21.52 H new ATOM 0 HH22 ARG A 29 -9.191 13.456 -7.756 1.00 21.52 H new ATOM 465 N GLU A 30 -3.795 6.543 -8.381 1.00 40.11 N ATOM 466 CA GLU A 30 -2.528 5.810 -8.415 1.00 52.44 C ATOM 467 C GLU A 30 -2.398 4.849 -7.215 1.00 32.03 C ATOM 468 O GLU A 30 -2.327 5.275 -6.057 1.00 44.34 O ATOM 469 CB GLU A 30 -1.363 6.838 -8.500 1.00 43.15 C ATOM 470 CG GLU A 30 -1.073 7.317 -9.933 1.00 61.21 C ATOM 471 CD GLU A 30 -0.432 6.206 -10.794 1.00 75.51 C ATOM 472 OE1 GLU A 30 0.710 5.787 -10.473 1.00 15.12 O ATOM 473 OE2 GLU A 30 -1.052 5.741 -11.775 1.00 20.10 O ATOM 0 H GLU A 30 -3.809 7.302 -7.699 1.00 40.11 H new ATOM 0 HA GLU A 30 -2.490 5.173 -9.298 1.00 52.44 H new ATOM 0 HB2 GLU A 30 -1.604 7.700 -7.878 1.00 43.15 H new ATOM 0 HB3 GLU A 30 -0.461 6.388 -8.086 1.00 43.15 H new ATOM 0 HG2 GLU A 30 -2.001 7.648 -10.400 1.00 61.21 H new ATOM 0 HG3 GLU A 30 -0.408 8.180 -9.900 1.00 61.21 H new ATOM 480 N ILE A 31 -2.386 3.541 -7.534 1.00 11.42 N ATOM 481 CA ILE A 31 -2.260 2.435 -6.569 1.00 63.42 C ATOM 482 C ILE A 31 -1.122 1.500 -7.038 1.00 42.12 C ATOM 483 O ILE A 31 -1.068 1.143 -8.222 1.00 51.35 O ATOM 484 CB ILE A 31 -3.619 1.636 -6.465 1.00 52.24 C ATOM 485 CG1 ILE A 31 -4.765 2.557 -5.928 1.00 72.24 C ATOM 486 CG2 ILE A 31 -3.472 0.356 -5.606 1.00 50.21 C ATOM 487 CD1 ILE A 31 -6.134 1.907 -5.842 1.00 60.24 C ATOM 0 H ILE A 31 -2.466 3.217 -8.498 1.00 11.42 H new ATOM 0 HA ILE A 31 -2.028 2.833 -5.581 1.00 63.42 H new ATOM 0 HB ILE A 31 -3.888 1.313 -7.470 1.00 52.24 H new ATOM 0 HG12 ILE A 31 -4.487 2.913 -4.936 1.00 72.24 H new ATOM 0 HG13 ILE A 31 -4.837 3.433 -6.573 1.00 72.24 H new ATOM 0 HG21 ILE A 31 -4.429 -0.163 -5.560 1.00 50.21 H new ATOM 0 HG22 ILE A 31 -2.725 -0.299 -6.054 1.00 50.21 H new ATOM 0 HG23 ILE A 31 -3.158 0.628 -4.598 1.00 50.21 H new ATOM 0 HD11 ILE A 31 -6.856 2.628 -5.459 1.00 60.24 H new ATOM 0 HD12 ILE A 31 -6.443 1.576 -6.834 1.00 60.24 H new ATOM 0 HD13 ILE A 31 -6.088 1.049 -5.172 1.00 60.24 H new ATOM 499 N ARG A 32 -0.216 1.112 -6.118 1.00 12.33 N ATOM 500 CA ARG A 32 0.944 0.240 -6.426 1.00 63.45 C ATOM 501 C ARG A 32 0.866 -1.074 -5.628 1.00 62.41 C ATOM 502 O ARG A 32 -0.051 -1.270 -4.821 1.00 64.45 O ATOM 503 CB ARG A 32 2.274 0.995 -6.149 1.00 10.52 C ATOM 504 CG ARG A 32 2.491 2.226 -7.059 1.00 10.25 C ATOM 505 CD ARG A 32 2.571 1.875 -8.558 1.00 71.20 C ATOM 506 NE ARG A 32 2.557 3.074 -9.426 1.00 31.43 N ATOM 507 CZ ARG A 32 3.489 3.395 -10.328 1.00 51.54 C ATOM 508 NH1 ARG A 32 4.575 2.641 -10.508 1.00 42.14 N ATOM 509 NH2 ARG A 32 3.305 4.462 -11.098 1.00 32.30 N ATOM 0 H ARG A 32 -0.265 1.393 -5.139 1.00 12.33 H new ATOM 0 HA ARG A 32 0.917 -0.018 -7.485 1.00 63.45 H new ATOM 0 HB2 ARG A 32 2.289 1.317 -5.108 1.00 10.52 H new ATOM 0 HB3 ARG A 32 3.107 0.305 -6.281 1.00 10.52 H new ATOM 0 HG2 ARG A 32 1.676 2.932 -6.902 1.00 10.25 H new ATOM 0 HG3 ARG A 32 3.411 2.730 -6.762 1.00 10.25 H new ATOM 0 HD2 ARG A 32 3.481 1.306 -8.746 1.00 71.20 H new ATOM 0 HD3 ARG A 32 1.732 1.231 -8.822 1.00 71.20 H new ATOM 0 HE ARG A 32 1.767 3.711 -9.327 1.00 31.43 H new ATOM 0 HH11 ARG A 32 4.708 1.797 -9.950 1.00 42.14 H new ATOM 0 HH12 ARG A 32 5.272 2.908 -11.203 1.00 42.14 H new ATOM 0 HH21 ARG A 32 2.460 5.025 -10.996 1.00 32.30 H new ATOM 0 HH22 ARG A 32 4.008 4.718 -11.791 1.00 32.30 H new ATOM 523 N THR A 33 1.835 -1.978 -5.869 1.00 64.43 N ATOM 524 CA THR A 33 1.794 -3.351 -5.341 1.00 0.41 C ATOM 525 C THR A 33 3.219 -3.855 -5.039 1.00 22.22 C ATOM 526 O THR A 33 4.044 -3.952 -5.956 1.00 63.25 O ATOM 527 CB THR A 33 1.124 -4.316 -6.385 1.00 11.52 C ATOM 528 OG1 THR A 33 -0.089 -3.740 -6.901 1.00 1.44 O ATOM 529 CG2 THR A 33 0.805 -5.688 -5.771 1.00 53.05 C ATOM 0 H THR A 33 2.662 -1.777 -6.431 1.00 64.43 H new ATOM 0 HA THR A 33 1.209 -3.342 -4.421 1.00 0.41 H new ATOM 0 HB THR A 33 1.841 -4.455 -7.194 1.00 11.52 H new ATOM 0 HG1 THR A 33 -0.852 -4.061 -6.377 1.00 1.44 H new ATOM 0 HG21 THR A 33 0.343 -6.325 -6.525 1.00 53.05 H new ATOM 0 HG22 THR A 33 1.726 -6.152 -5.419 1.00 53.05 H new ATOM 0 HG23 THR A 33 0.119 -5.561 -4.933 1.00 53.05 H new ATOM 537 N ALA A 34 3.516 -4.166 -3.764 1.00 23.21 N ATOM 538 CA ALA A 34 4.811 -4.752 -3.390 1.00 33.34 C ATOM 539 C ALA A 34 4.767 -6.285 -3.491 1.00 45.10 C ATOM 540 O ALA A 34 4.179 -6.962 -2.644 1.00 34.04 O ATOM 541 CB ALA A 34 5.225 -4.303 -1.986 1.00 33.34 C ATOM 0 H ALA A 34 2.879 -4.021 -2.981 1.00 23.21 H new ATOM 0 HA ALA A 34 5.563 -4.393 -4.092 1.00 33.34 H new ATOM 0 HB1 ALA A 34 6.186 -4.749 -1.730 1.00 33.34 H new ATOM 0 HB2 ALA A 34 5.311 -3.217 -1.962 1.00 33.34 H new ATOM 0 HB3 ALA A 34 4.473 -4.624 -1.265 1.00 33.34 H new ATOM 547 N THR A 35 5.389 -6.807 -4.551 1.00 30.21 N ATOM 548 CA THR A 35 5.545 -8.258 -4.788 1.00 20.11 C ATOM 549 C THR A 35 6.842 -8.774 -4.118 1.00 2.50 C ATOM 550 O THR A 35 6.944 -9.953 -3.749 1.00 5.50 O ATOM 551 CB THR A 35 5.567 -8.541 -6.334 1.00 31.03 C ATOM 552 OG1 THR A 35 4.323 -8.121 -6.920 1.00 23.11 O ATOM 553 CG2 THR A 35 5.803 -10.024 -6.691 1.00 51.22 C ATOM 0 H THR A 35 5.807 -6.232 -5.283 1.00 30.21 H new ATOM 0 HA THR A 35 4.701 -8.788 -4.346 1.00 20.11 H new ATOM 0 HB THR A 35 6.408 -7.975 -6.733 1.00 31.03 H new ATOM 0 HG1 THR A 35 4.340 -8.297 -7.884 1.00 23.11 H new ATOM 0 HG21 THR A 35 5.805 -10.141 -7.775 1.00 51.22 H new ATOM 0 HG22 THR A 35 6.763 -10.347 -6.289 1.00 51.22 H new ATOM 0 HG23 THR A 35 5.007 -10.633 -6.262 1.00 51.22 H new ATOM 561 N SER A 36 7.809 -7.859 -3.933 1.00 52.15 N ATOM 562 CA SER A 36 9.146 -8.187 -3.415 1.00 1.34 C ATOM 563 C SER A 36 9.793 -6.942 -2.746 1.00 54.12 C ATOM 564 O SER A 36 9.199 -5.847 -2.742 1.00 61.11 O ATOM 565 CB SER A 36 10.013 -8.739 -4.584 1.00 61.12 C ATOM 566 OG SER A 36 11.220 -9.329 -4.128 1.00 24.12 O ATOM 0 H SER A 36 7.684 -6.868 -4.140 1.00 52.15 H new ATOM 0 HA SER A 36 9.072 -8.954 -2.644 1.00 1.34 H new ATOM 0 HB2 SER A 36 9.438 -9.478 -5.142 1.00 61.12 H new ATOM 0 HB3 SER A 36 10.246 -7.929 -5.275 1.00 61.12 H new ATOM 0 HG SER A 36 11.731 -9.663 -4.895 1.00 24.12 H new ATOM 572 N SER A 37 11.020 -7.127 -2.204 1.00 53.33 N ATOM 573 CA SER A 37 11.740 -6.103 -1.408 1.00 72.34 C ATOM 574 C SER A 37 12.213 -4.915 -2.273 1.00 63.41 C ATOM 575 O SER A 37 12.433 -3.810 -1.754 1.00 53.11 O ATOM 576 CB SER A 37 12.944 -6.748 -0.670 1.00 41.11 C ATOM 577 OG SER A 37 13.456 -5.893 0.339 1.00 25.14 O ATOM 0 H SER A 37 11.542 -7.997 -2.307 1.00 53.33 H new ATOM 0 HA SER A 37 11.037 -5.707 -0.675 1.00 72.34 H new ATOM 0 HB2 SER A 37 12.634 -7.693 -0.224 1.00 41.11 H new ATOM 0 HB3 SER A 37 13.732 -6.977 -1.388 1.00 41.11 H new ATOM 0 HG SER A 37 14.212 -6.329 0.785 1.00 25.14 H new ATOM 583 N GLN A 38 12.370 -5.159 -3.590 1.00 54.51 N ATOM 584 CA GLN A 38 12.722 -4.111 -4.568 1.00 72.25 C ATOM 585 C GLN A 38 11.629 -3.023 -4.613 1.00 20.43 C ATOM 586 O GLN A 38 11.940 -1.833 -4.624 1.00 70.03 O ATOM 587 CB GLN A 38 12.955 -4.741 -5.972 1.00 21.44 C ATOM 588 CG GLN A 38 13.278 -3.751 -7.121 1.00 13.20 C ATOM 589 CD GLN A 38 14.481 -2.846 -6.856 1.00 31.44 C ATOM 590 OE1 GLN A 38 14.337 -1.721 -6.377 1.00 62.32 O ATOM 591 NE2 GLN A 38 15.676 -3.335 -7.146 1.00 43.22 N ATOM 0 H GLN A 38 12.257 -6.084 -4.004 1.00 54.51 H new ATOM 0 HA GLN A 38 13.651 -3.634 -4.255 1.00 72.25 H new ATOM 0 HB2 GLN A 38 13.774 -5.456 -5.895 1.00 21.44 H new ATOM 0 HB3 GLN A 38 12.064 -5.306 -6.246 1.00 21.44 H new ATOM 0 HG2 GLN A 38 13.460 -4.319 -8.033 1.00 13.20 H new ATOM 0 HG3 GLN A 38 12.403 -3.127 -7.303 1.00 13.20 H new ATOM 0 HE21 GLN A 38 15.762 -4.271 -7.542 1.00 43.22 H new ATOM 0 HE22 GLN A 38 16.511 -2.776 -6.973 1.00 43.22 H new ATOM 600 N ASP A 39 10.351 -3.458 -4.570 1.00 72.00 N ATOM 601 CA ASP A 39 9.183 -2.549 -4.615 1.00 75.52 C ATOM 602 C ASP A 39 9.125 -1.639 -3.367 1.00 12.32 C ATOM 603 O ASP A 39 8.746 -0.475 -3.460 1.00 22.04 O ATOM 604 CB ASP A 39 7.866 -3.354 -4.718 1.00 21.44 C ATOM 605 CG ASP A 39 7.759 -4.231 -5.979 1.00 62.30 C ATOM 606 OD1 ASP A 39 7.599 -3.675 -7.088 1.00 51.32 O ATOM 607 OD2 ASP A 39 7.813 -5.476 -5.864 1.00 2.21 O ATOM 0 H ASP A 39 10.100 -4.444 -4.503 1.00 72.00 H new ATOM 0 HA ASP A 39 9.298 -1.923 -5.500 1.00 75.52 H new ATOM 0 HB2 ASP A 39 7.772 -3.990 -3.838 1.00 21.44 H new ATOM 0 HB3 ASP A 39 7.026 -2.659 -4.700 1.00 21.44 H new ATOM 612 N ILE A 40 9.525 -2.199 -2.211 1.00 43.50 N ATOM 613 CA ILE A 40 9.588 -1.479 -0.919 1.00 21.22 C ATOM 614 C ILE A 40 10.434 -0.178 -1.047 1.00 54.40 C ATOM 615 O ILE A 40 10.060 0.876 -0.525 1.00 3.11 O ATOM 616 CB ILE A 40 10.178 -2.435 0.196 1.00 65.44 C ATOM 617 CG1 ILE A 40 9.227 -3.656 0.459 1.00 20.51 C ATOM 618 CG2 ILE A 40 10.505 -1.687 1.507 1.00 32.24 C ATOM 619 CD1 ILE A 40 7.813 -3.304 0.928 1.00 3.42 C ATOM 0 H ILE A 40 9.817 -3.174 -2.143 1.00 43.50 H new ATOM 0 HA ILE A 40 8.579 -1.185 -0.630 1.00 21.22 H new ATOM 0 HB ILE A 40 11.123 -2.818 -0.189 1.00 65.44 H new ATOM 0 HG12 ILE A 40 9.151 -4.239 -0.459 1.00 20.51 H new ATOM 0 HG13 ILE A 40 9.689 -4.299 1.208 1.00 20.51 H new ATOM 0 HG21 ILE A 40 10.906 -2.390 2.237 1.00 32.24 H new ATOM 0 HG22 ILE A 40 11.243 -0.910 1.308 1.00 32.24 H new ATOM 0 HG23 ILE A 40 9.597 -1.232 1.903 1.00 32.24 H new ATOM 0 HD11 ILE A 40 7.241 -4.220 1.080 1.00 3.42 H new ATOM 0 HD12 ILE A 40 7.868 -2.751 1.866 1.00 3.42 H new ATOM 0 HD13 ILE A 40 7.322 -2.690 0.173 1.00 3.42 H new ATOM 631 N ARG A 41 11.556 -0.281 -1.773 1.00 12.45 N ATOM 632 CA ARG A 41 12.456 0.858 -2.065 1.00 23.41 C ATOM 633 C ARG A 41 11.992 1.692 -3.286 1.00 0.23 C ATOM 634 O ARG A 41 12.038 2.929 -3.255 1.00 42.11 O ATOM 635 CB ARG A 41 13.891 0.318 -2.307 1.00 13.23 C ATOM 636 CG ARG A 41 14.667 -0.048 -1.024 1.00 71.33 C ATOM 637 CD ARG A 41 15.090 1.200 -0.231 1.00 40.45 C ATOM 638 NE ARG A 41 15.923 2.104 -1.049 1.00 52.23 N ATOM 639 CZ ARG A 41 16.630 3.151 -0.595 1.00 21.30 C ATOM 640 NH1 ARG A 41 16.629 3.486 0.690 1.00 71.02 N ATOM 641 NH2 ARG A 41 17.337 3.878 -1.446 1.00 12.35 N ATOM 0 H ARG A 41 11.872 -1.161 -2.180 1.00 12.45 H new ATOM 0 HA ARG A 41 12.436 1.526 -1.204 1.00 23.41 H new ATOM 0 HB2 ARG A 41 13.830 -0.565 -2.943 1.00 13.23 H new ATOM 0 HB3 ARG A 41 14.459 1.068 -2.857 1.00 13.23 H new ATOM 0 HG2 ARG A 41 14.046 -0.685 -0.394 1.00 71.33 H new ATOM 0 HG3 ARG A 41 15.552 -0.627 -1.288 1.00 71.33 H new ATOM 0 HD2 ARG A 41 14.203 1.732 0.112 1.00 40.45 H new ATOM 0 HD3 ARG A 41 15.644 0.897 0.658 1.00 40.45 H new ATOM 0 HE ARG A 41 15.965 1.916 -2.051 1.00 52.23 H new ATOM 0 HH11 ARG A 41 16.082 2.943 1.358 1.00 71.02 H new ATOM 0 HH12 ARG A 41 17.175 4.286 1.009 1.00 71.02 H new ATOM 0 HH21 ARG A 41 17.342 3.641 -2.438 1.00 12.35 H new ATOM 0 HH22 ARG A 41 17.877 4.675 -1.110 1.00 12.35 H new ATOM 655 N ASP A 42 11.547 0.991 -4.344 1.00 61.01 N ATOM 656 CA ASP A 42 11.287 1.578 -5.683 1.00 70.43 C ATOM 657 C ASP A 42 10.058 2.508 -5.671 1.00 62.45 C ATOM 658 O ASP A 42 10.071 3.589 -6.280 1.00 60.33 O ATOM 659 CB ASP A 42 11.088 0.441 -6.732 1.00 72.52 C ATOM 660 CG ASP A 42 10.865 0.965 -8.156 1.00 22.14 C ATOM 661 OD1 ASP A 42 11.867 1.275 -8.840 1.00 52.14 O ATOM 662 OD2 ASP A 42 9.699 1.097 -8.591 1.00 2.41 O ATOM 0 H ASP A 42 11.354 -0.010 -4.299 1.00 61.01 H new ATOM 0 HA ASP A 42 12.154 2.180 -5.957 1.00 70.43 H new ATOM 0 HB2 ASP A 42 11.963 -0.209 -6.724 1.00 72.52 H new ATOM 0 HB3 ASP A 42 10.234 -0.170 -6.439 1.00 72.52 H new ATOM 667 N ILE A 43 9.001 2.061 -4.976 1.00 71.31 N ATOM 668 CA ILE A 43 7.736 2.802 -4.858 1.00 64.13 C ATOM 669 C ILE A 43 7.960 4.133 -4.100 1.00 70.32 C ATOM 670 O ILE A 43 7.508 5.183 -4.554 1.00 30.24 O ATOM 671 CB ILE A 43 6.628 1.921 -4.158 1.00 25.11 C ATOM 672 CG1 ILE A 43 6.270 0.677 -5.046 1.00 24.33 C ATOM 673 CG2 ILE A 43 5.366 2.752 -3.840 1.00 60.51 C ATOM 674 CD1 ILE A 43 5.340 -0.326 -4.377 1.00 73.40 C ATOM 0 H ILE A 43 9.000 1.171 -4.478 1.00 71.31 H new ATOM 0 HA ILE A 43 7.380 3.039 -5.860 1.00 64.13 H new ATOM 0 HB ILE A 43 7.033 1.563 -3.211 1.00 25.11 H new ATOM 0 HG12 ILE A 43 5.806 1.026 -5.968 1.00 24.33 H new ATOM 0 HG13 ILE A 43 7.192 0.168 -5.326 1.00 24.33 H new ATOM 0 HG21 ILE A 43 4.623 2.116 -3.359 1.00 60.51 H new ATOM 0 HG22 ILE A 43 5.629 3.572 -3.172 1.00 60.51 H new ATOM 0 HG23 ILE A 43 4.954 3.156 -4.765 1.00 60.51 H new ATOM 0 HD11 ILE A 43 5.145 -1.153 -5.060 1.00 73.40 H new ATOM 0 HD12 ILE A 43 5.808 -0.707 -3.470 1.00 73.40 H new ATOM 0 HD13 ILE A 43 4.400 0.163 -4.122 1.00 73.40 H new ATOM 686 N ILE A 44 8.709 4.076 -2.976 1.00 53.41 N ATOM 687 CA ILE A 44 9.061 5.268 -2.171 1.00 70.22 C ATOM 688 C ILE A 44 9.958 6.232 -2.989 1.00 2.54 C ATOM 689 O ILE A 44 9.756 7.453 -2.961 1.00 24.31 O ATOM 690 CB ILE A 44 9.750 4.844 -0.814 1.00 11.34 C ATOM 691 CG1 ILE A 44 8.754 3.985 0.035 1.00 54.14 C ATOM 692 CG2 ILE A 44 10.255 6.070 -0.007 1.00 55.22 C ATOM 693 CD1 ILE A 44 9.292 3.515 1.374 1.00 41.40 C ATOM 0 H ILE A 44 9.086 3.205 -2.602 1.00 53.41 H new ATOM 0 HA ILE A 44 8.144 5.801 -1.920 1.00 70.22 H new ATOM 0 HB ILE A 44 10.629 4.245 -1.053 1.00 11.34 H new ATOM 0 HG12 ILE A 44 7.850 4.569 0.208 1.00 54.14 H new ATOM 0 HG13 ILE A 44 8.462 3.112 -0.549 1.00 54.14 H new ATOM 0 HG21 ILE A 44 10.721 5.730 0.918 1.00 55.22 H new ATOM 0 HG22 ILE A 44 10.985 6.620 -0.600 1.00 55.22 H new ATOM 0 HG23 ILE A 44 9.414 6.722 0.229 1.00 55.22 H new ATOM 0 HD11 ILE A 44 8.530 2.929 1.887 1.00 41.40 H new ATOM 0 HD12 ILE A 44 10.177 2.899 1.215 1.00 41.40 H new ATOM 0 HD13 ILE A 44 9.556 4.379 1.984 1.00 41.40 H new ATOM 705 N LYS A 45 10.902 5.657 -3.761 1.00 54.31 N ATOM 706 CA LYS A 45 11.761 6.403 -4.719 1.00 71.34 C ATOM 707 C LYS A 45 10.907 7.196 -5.739 1.00 62.10 C ATOM 708 O LYS A 45 11.222 8.346 -6.084 1.00 54.30 O ATOM 709 CB LYS A 45 12.721 5.404 -5.437 1.00 63.41 C ATOM 710 CG LYS A 45 13.588 6.003 -6.571 1.00 45.24 C ATOM 711 CD LYS A 45 14.767 5.085 -6.988 1.00 22.40 C ATOM 712 CE LYS A 45 14.339 3.688 -7.482 1.00 14.14 C ATOM 713 NZ LYS A 45 13.613 3.730 -8.781 1.00 42.34 N ATOM 0 H LYS A 45 11.096 4.656 -3.741 1.00 54.31 H new ATOM 0 HA LYS A 45 12.356 7.132 -4.169 1.00 71.34 H new ATOM 0 HB2 LYS A 45 13.384 4.966 -4.691 1.00 63.41 H new ATOM 0 HB3 LYS A 45 12.125 4.591 -5.851 1.00 63.41 H new ATOM 0 HG2 LYS A 45 12.958 6.192 -7.440 1.00 45.24 H new ATOM 0 HG3 LYS A 45 13.983 6.966 -6.248 1.00 45.24 H new ATOM 0 HD2 LYS A 45 15.335 5.578 -7.777 1.00 22.40 H new ATOM 0 HD3 LYS A 45 15.439 4.967 -6.138 1.00 22.40 H new ATOM 0 HE2 LYS A 45 15.223 3.058 -7.586 1.00 14.14 H new ATOM 0 HE3 LYS A 45 13.702 3.222 -6.730 1.00 14.14 H new ATOM 0 HZ1 LYS A 45 13.000 2.894 -8.863 1.00 42.34 H new ATOM 0 HZ2 LYS A 45 13.032 4.592 -8.826 1.00 42.34 H new ATOM 0 HZ3 LYS A 45 14.299 3.734 -9.562 1.00 42.34 H new ATOM 727 N SER A 46 9.798 6.571 -6.163 1.00 61.21 N ATOM 728 CA SER A 46 8.846 7.150 -7.120 1.00 63.33 C ATOM 729 C SER A 46 7.940 8.214 -6.450 1.00 70.21 C ATOM 730 O SER A 46 7.561 9.215 -7.088 1.00 10.13 O ATOM 731 CB SER A 46 8.000 6.013 -7.730 1.00 35.23 C ATOM 732 OG SER A 46 7.253 6.461 -8.833 1.00 20.30 O ATOM 0 H SER A 46 9.535 5.638 -5.846 1.00 61.21 H new ATOM 0 HA SER A 46 9.401 7.659 -7.908 1.00 63.33 H new ATOM 0 HB2 SER A 46 8.654 5.197 -8.039 1.00 35.23 H new ATOM 0 HB3 SER A 46 7.327 5.612 -6.972 1.00 35.23 H new ATOM 0 HG SER A 46 6.729 5.717 -9.197 1.00 20.30 H new ATOM 738 N MET A 47 7.618 7.993 -5.152 1.00 74.02 N ATOM 739 CA MET A 47 6.729 8.882 -4.373 1.00 45.02 C ATOM 740 C MET A 47 7.357 10.267 -4.184 1.00 5.15 C ATOM 741 O MET A 47 6.728 11.275 -4.488 1.00 14.34 O ATOM 742 CB MET A 47 6.382 8.295 -2.972 1.00 11.25 C ATOM 743 CG MET A 47 5.496 7.057 -2.986 1.00 63.24 C ATOM 744 SD MET A 47 4.895 6.632 -1.341 1.00 22.32 S ATOM 745 CE MET A 47 3.895 8.075 -0.960 1.00 51.05 C ATOM 0 H MET A 47 7.967 7.196 -4.620 1.00 74.02 H new ATOM 0 HA MET A 47 5.809 8.968 -4.952 1.00 45.02 H new ATOM 0 HB2 MET A 47 7.312 8.050 -2.459 1.00 11.25 H new ATOM 0 HB3 MET A 47 5.888 9.069 -2.385 1.00 11.25 H new ATOM 0 HG2 MET A 47 4.647 7.227 -3.648 1.00 63.24 H new ATOM 0 HG3 MET A 47 6.056 6.216 -3.395 1.00 63.24 H new ATOM 0 HE1 MET A 47 3.556 8.020 0.074 1.00 51.05 H new ATOM 0 HE2 MET A 47 4.490 8.977 -1.099 1.00 51.05 H new ATOM 0 HE3 MET A 47 3.031 8.105 -1.624 1.00 51.05 H new ATOM 755 N LYS A 48 8.610 10.278 -3.694 1.00 71.32 N ATOM 756 CA LYS A 48 9.335 11.508 -3.302 1.00 0.13 C ATOM 757 C LYS A 48 9.539 12.471 -4.479 1.00 41.04 C ATOM 758 O LYS A 48 9.356 13.690 -4.340 1.00 45.10 O ATOM 759 CB LYS A 48 10.711 11.127 -2.708 1.00 74.34 C ATOM 760 CG LYS A 48 10.636 10.185 -1.496 1.00 11.44 C ATOM 761 CD LYS A 48 12.023 9.719 -1.021 1.00 41.34 C ATOM 762 CE LYS A 48 12.785 8.873 -2.056 1.00 30.34 C ATOM 763 NZ LYS A 48 14.167 8.546 -1.596 1.00 15.25 N ATOM 0 H LYS A 48 9.156 9.427 -3.556 1.00 71.32 H new ATOM 0 HA LYS A 48 8.724 12.023 -2.560 1.00 0.13 H new ATOM 0 HB2 LYS A 48 11.311 10.654 -3.485 1.00 74.34 H new ATOM 0 HB3 LYS A 48 11.232 12.038 -2.414 1.00 74.34 H new ATOM 0 HG2 LYS A 48 10.127 10.693 -0.677 1.00 11.44 H new ATOM 0 HG3 LYS A 48 10.033 9.314 -1.754 1.00 11.44 H new ATOM 0 HD2 LYS A 48 12.623 10.594 -0.769 1.00 41.34 H new ATOM 0 HD3 LYS A 48 11.907 9.138 -0.106 1.00 41.34 H new ATOM 0 HE2 LYS A 48 12.237 7.950 -2.245 1.00 30.34 H new ATOM 0 HE3 LYS A 48 12.835 9.413 -3.001 1.00 30.34 H new ATOM 0 HZ1 LYS A 48 14.847 8.779 -2.347 1.00 15.25 H new ATOM 0 HZ2 LYS A 48 14.389 9.099 -0.744 1.00 15.25 H new ATOM 0 HZ3 LYS A 48 14.229 7.531 -1.376 1.00 15.25 H new ATOM 777 N ASP A 49 9.907 11.886 -5.635 1.00 40.00 N ATOM 778 CA ASP A 49 10.217 12.620 -6.879 1.00 20.45 C ATOM 779 C ASP A 49 9.021 13.481 -7.346 1.00 42.23 C ATOM 780 O ASP A 49 9.195 14.602 -7.841 1.00 22.23 O ATOM 781 CB ASP A 49 10.635 11.602 -7.976 1.00 62.33 C ATOM 782 CG ASP A 49 10.870 12.240 -9.357 1.00 41.32 C ATOM 783 OD1 ASP A 49 11.965 12.802 -9.590 1.00 20.33 O ATOM 784 OD2 ASP A 49 9.957 12.201 -10.214 1.00 5.01 O ATOM 0 H ASP A 49 9.999 10.875 -5.733 1.00 40.00 H new ATOM 0 HA ASP A 49 11.042 13.307 -6.687 1.00 20.45 H new ATOM 0 HB2 ASP A 49 11.547 11.095 -7.660 1.00 62.33 H new ATOM 0 HB3 ASP A 49 9.861 10.840 -8.065 1.00 62.33 H new ATOM 789 N ASN A 50 7.812 12.942 -7.159 1.00 73.14 N ATOM 790 CA ASN A 50 6.553 13.573 -7.611 1.00 42.12 C ATOM 791 C ASN A 50 5.821 14.230 -6.410 1.00 5.44 C ATOM 792 O ASN A 50 5.014 15.147 -6.587 1.00 12.04 O ATOM 793 CB ASN A 50 5.677 12.476 -8.299 1.00 73.32 C ATOM 794 CG ASN A 50 4.616 12.977 -9.311 1.00 43.53 C ATOM 795 OD1 ASN A 50 4.359 12.309 -10.316 1.00 14.31 O ATOM 796 ND2 ASN A 50 3.975 14.114 -9.071 1.00 14.24 N ATOM 0 H ASN A 50 7.671 12.049 -6.687 1.00 73.14 H new ATOM 0 HA ASN A 50 6.756 14.366 -8.330 1.00 42.12 H new ATOM 0 HB2 ASN A 50 6.341 11.782 -8.815 1.00 73.32 H new ATOM 0 HB3 ASN A 50 5.166 11.909 -7.521 1.00 73.32 H new ATOM 0 HD21 ASN A 50 3.261 14.444 -9.721 1.00 14.24 H new ATOM 0 HD22 ASN A 50 4.196 14.658 -8.237 1.00 14.24 H new ATOM 803 N GLY A 51 6.159 13.784 -5.189 1.00 72.21 N ATOM 804 CA GLY A 51 5.410 14.142 -3.974 1.00 52.54 C ATOM 805 C GLY A 51 3.991 13.563 -3.961 1.00 70.51 C ATOM 806 O GLY A 51 3.081 14.143 -3.355 1.00 32.32 O ATOM 0 H GLY A 51 6.954 13.169 -5.017 1.00 72.21 H new ATOM 0 HA2 GLY A 51 5.952 13.783 -3.099 1.00 52.54 H new ATOM 0 HA3 GLY A 51 5.356 15.228 -3.892 1.00 52.54 H new ATOM 810 N LYS A 52 3.824 12.395 -4.611 1.00 11.42 N ATOM 811 CA LYS A 52 2.495 11.827 -4.954 1.00 65.42 C ATOM 812 C LYS A 52 1.983 10.854 -3.861 1.00 55.43 C ATOM 813 O LYS A 52 2.793 10.281 -3.116 1.00 25.41 O ATOM 814 CB LYS A 52 2.573 11.104 -6.331 1.00 1.11 C ATOM 815 CG LYS A 52 3.535 9.888 -6.385 1.00 25.23 C ATOM 816 CD LYS A 52 3.577 9.219 -7.780 1.00 50.21 C ATOM 817 CE LYS A 52 2.222 8.621 -8.201 1.00 24.11 C ATOM 818 NZ LYS A 52 2.218 8.157 -9.623 1.00 40.13 N ATOM 0 H LYS A 52 4.605 11.814 -4.916 1.00 11.42 H new ATOM 0 HA LYS A 52 1.782 12.650 -5.014 1.00 65.42 H new ATOM 0 HB2 LYS A 52 1.573 10.768 -6.604 1.00 1.11 H new ATOM 0 HB3 LYS A 52 2.884 11.827 -7.086 1.00 1.11 H new ATOM 0 HG2 LYS A 52 4.539 10.212 -6.112 1.00 25.23 H new ATOM 0 HG3 LYS A 52 3.225 9.152 -5.643 1.00 25.23 H new ATOM 0 HD2 LYS A 52 3.889 9.955 -8.521 1.00 50.21 H new ATOM 0 HD3 LYS A 52 4.330 8.431 -7.777 1.00 50.21 H new ATOM 0 HE2 LYS A 52 1.980 7.783 -7.548 1.00 24.11 H new ATOM 0 HE3 LYS A 52 1.440 9.368 -8.064 1.00 24.11 H new ATOM 0 HZ1 LYS A 52 1.668 7.278 -9.700 1.00 40.13 H new ATOM 0 HZ2 LYS A 52 1.788 8.888 -10.225 1.00 40.13 H new ATOM 0 HZ3 LYS A 52 3.195 7.982 -9.934 1.00 40.13 H new ATOM 832 N PRO A 53 0.622 10.672 -3.731 1.00 50.40 N ATOM 833 CA PRO A 53 0.034 9.632 -2.859 1.00 2.41 C ATOM 834 C PRO A 53 -0.117 8.262 -3.585 1.00 65.41 C ATOM 835 O PRO A 53 -0.426 8.217 -4.789 1.00 4.52 O ATOM 836 CB PRO A 53 -1.332 10.247 -2.493 1.00 14.14 C ATOM 837 CG PRO A 53 -1.744 11.037 -3.705 1.00 14.03 C ATOM 838 CD PRO A 53 -0.454 11.493 -4.382 1.00 12.43 C ATOM 0 HA PRO A 53 0.653 9.397 -1.993 1.00 2.41 H new ATOM 0 HB2 PRO A 53 -2.063 9.473 -2.260 1.00 14.14 H new ATOM 0 HB3 PRO A 53 -1.254 10.886 -1.614 1.00 14.14 H new ATOM 0 HG2 PRO A 53 -2.343 10.427 -4.381 1.00 14.03 H new ATOM 0 HG3 PRO A 53 -2.357 11.893 -3.421 1.00 14.03 H new ATOM 0 HD2 PRO A 53 -0.488 11.321 -5.458 1.00 12.43 H new ATOM 0 HD3 PRO A 53 -0.284 12.559 -4.235 1.00 12.43 H new ATOM 846 N LEU A 54 0.101 7.150 -2.846 1.00 54.03 N ATOM 847 CA LEU A 54 0.005 5.766 -3.397 1.00 12.54 C ATOM 848 C LEU A 54 -0.625 4.806 -2.373 1.00 22.12 C ATOM 849 O LEU A 54 -0.561 5.043 -1.176 1.00 75.33 O ATOM 850 CB LEU A 54 1.420 5.246 -3.830 1.00 23.25 C ATOM 851 CG LEU A 54 2.003 5.856 -5.149 1.00 74.03 C ATOM 852 CD1 LEU A 54 3.446 5.391 -5.422 1.00 71.15 C ATOM 853 CD2 LEU A 54 1.097 5.519 -6.346 1.00 54.32 C ATOM 0 H LEU A 54 0.347 7.179 -1.857 1.00 54.03 H new ATOM 0 HA LEU A 54 -0.640 5.799 -4.275 1.00 12.54 H new ATOM 0 HB2 LEU A 54 2.122 5.446 -3.020 1.00 23.25 H new ATOM 0 HB3 LEU A 54 1.367 4.164 -3.946 1.00 23.25 H new ATOM 0 HG LEU A 54 2.032 6.937 -5.015 1.00 74.03 H new ATOM 0 HD11 LEU A 54 3.805 5.842 -6.347 1.00 71.15 H new ATOM 0 HD12 LEU A 54 4.089 5.697 -4.597 1.00 71.15 H new ATOM 0 HD13 LEU A 54 3.467 4.305 -5.515 1.00 71.15 H new ATOM 0 HD21 LEU A 54 1.518 5.951 -7.254 1.00 54.32 H new ATOM 0 HD22 LEU A 54 1.028 4.437 -6.457 1.00 54.32 H new ATOM 0 HD23 LEU A 54 0.102 5.930 -6.176 1.00 54.32 H new ATOM 865 N VAL A 55 -1.261 3.727 -2.862 1.00 70.54 N ATOM 866 CA VAL A 55 -1.787 2.638 -2.010 1.00 5.45 C ATOM 867 C VAL A 55 -0.967 1.368 -2.294 1.00 55.31 C ATOM 868 O VAL A 55 -1.153 0.753 -3.339 1.00 42.12 O ATOM 869 CB VAL A 55 -3.321 2.357 -2.296 1.00 64.04 C ATOM 870 CG1 VAL A 55 -3.894 1.296 -1.336 1.00 13.23 C ATOM 871 CG2 VAL A 55 -4.160 3.650 -2.248 1.00 11.52 C ATOM 0 H VAL A 55 -1.426 3.582 -3.858 1.00 70.54 H new ATOM 0 HA VAL A 55 -1.699 2.934 -0.965 1.00 5.45 H new ATOM 0 HB VAL A 55 -3.384 1.960 -3.309 1.00 64.04 H new ATOM 0 HG11 VAL A 55 -4.947 1.131 -1.563 1.00 13.23 H new ATOM 0 HG12 VAL A 55 -3.346 0.362 -1.457 1.00 13.23 H new ATOM 0 HG13 VAL A 55 -3.795 1.644 -0.308 1.00 13.23 H new ATOM 0 HG21 VAL A 55 -5.205 3.413 -2.449 1.00 11.52 H new ATOM 0 HG22 VAL A 55 -4.074 4.103 -1.260 1.00 11.52 H new ATOM 0 HG23 VAL A 55 -3.795 4.349 -3.001 1.00 11.52 H new ATOM 881 N VAL A 56 -0.031 1.008 -1.397 1.00 11.04 N ATOM 882 CA VAL A 56 0.836 -0.176 -1.584 1.00 12.41 C ATOM 883 C VAL A 56 0.193 -1.433 -0.971 1.00 62.11 C ATOM 884 O VAL A 56 0.247 -1.640 0.246 1.00 31.24 O ATOM 885 CB VAL A 56 2.275 0.052 -0.975 1.00 53.52 C ATOM 886 CG1 VAL A 56 3.181 -1.203 -1.110 1.00 60.52 C ATOM 887 CG2 VAL A 56 2.945 1.275 -1.628 1.00 12.31 C ATOM 0 H VAL A 56 0.147 1.520 -0.533 1.00 11.04 H new ATOM 0 HA VAL A 56 0.945 -0.327 -2.658 1.00 12.41 H new ATOM 0 HB VAL A 56 2.148 0.240 0.091 1.00 53.52 H new ATOM 0 HG11 VAL A 56 4.159 -0.994 -0.676 1.00 60.52 H new ATOM 0 HG12 VAL A 56 2.723 -2.041 -0.585 1.00 60.52 H new ATOM 0 HG13 VAL A 56 3.298 -1.456 -2.164 1.00 60.52 H new ATOM 0 HG21 VAL A 56 3.936 1.420 -1.198 1.00 12.31 H new ATOM 0 HG22 VAL A 56 3.036 1.110 -2.702 1.00 12.31 H new ATOM 0 HG23 VAL A 56 2.338 2.162 -1.447 1.00 12.31 H new ATOM 897 N PHE A 57 -0.444 -2.248 -1.826 1.00 71.34 N ATOM 898 CA PHE A 57 -0.856 -3.612 -1.464 1.00 62.31 C ATOM 899 C PHE A 57 0.387 -4.528 -1.472 1.00 72.45 C ATOM 900 O PHE A 57 0.943 -4.810 -2.541 1.00 61.12 O ATOM 901 CB PHE A 57 -1.901 -4.153 -2.481 1.00 11.14 C ATOM 902 CG PHE A 57 -3.301 -3.533 -2.417 1.00 62.14 C ATOM 903 CD1 PHE A 57 -3.568 -2.290 -2.986 1.00 12.12 C ATOM 904 CD2 PHE A 57 -4.359 -4.216 -1.808 1.00 53.42 C ATOM 905 CE1 PHE A 57 -4.845 -1.751 -2.947 1.00 13.01 C ATOM 906 CE2 PHE A 57 -5.631 -3.674 -1.767 1.00 60.43 C ATOM 907 CZ PHE A 57 -5.873 -2.440 -2.335 1.00 61.23 C ATOM 0 H PHE A 57 -0.686 -1.982 -2.781 1.00 71.34 H new ATOM 0 HA PHE A 57 -1.309 -3.597 -0.473 1.00 62.31 H new ATOM 0 HB2 PHE A 57 -1.507 -4.004 -3.487 1.00 11.14 H new ATOM 0 HB3 PHE A 57 -1.997 -5.229 -2.332 1.00 11.14 H new ATOM 0 HD1 PHE A 57 -2.771 -1.739 -3.463 1.00 12.12 H new ATOM 0 HD2 PHE A 57 -4.180 -5.183 -1.362 1.00 53.42 H new ATOM 0 HE1 PHE A 57 -5.036 -0.788 -3.397 1.00 13.01 H new ATOM 0 HE2 PHE A 57 -6.434 -4.216 -1.291 1.00 60.43 H new ATOM 0 HZ PHE A 57 -6.865 -2.014 -2.301 1.00 61.23 H new ATOM 917 N VAL A 58 0.845 -4.961 -0.289 1.00 10.24 N ATOM 918 CA VAL A 58 1.951 -5.928 -0.182 1.00 14.00 C ATOM 919 C VAL A 58 1.389 -7.364 -0.321 1.00 41.44 C ATOM 920 O VAL A 58 0.587 -7.809 0.506 1.00 73.13 O ATOM 921 CB VAL A 58 2.796 -5.742 1.150 1.00 51.13 C ATOM 922 CG1 VAL A 58 3.405 -4.326 1.223 1.00 52.31 C ATOM 923 CG2 VAL A 58 1.991 -6.038 2.433 1.00 72.54 C ATOM 0 H VAL A 58 0.468 -4.658 0.609 1.00 10.24 H new ATOM 0 HA VAL A 58 2.652 -5.743 -0.996 1.00 14.00 H new ATOM 0 HB VAL A 58 3.596 -6.481 1.101 1.00 51.13 H new ATOM 0 HG11 VAL A 58 3.979 -4.224 2.144 1.00 52.31 H new ATOM 0 HG12 VAL A 58 4.061 -4.168 0.367 1.00 52.31 H new ATOM 0 HG13 VAL A 58 2.606 -3.585 1.209 1.00 52.31 H new ATOM 0 HG21 VAL A 58 2.629 -5.891 3.305 1.00 72.54 H new ATOM 0 HG22 VAL A 58 1.137 -5.363 2.491 1.00 72.54 H new ATOM 0 HG23 VAL A 58 1.638 -7.069 2.411 1.00 72.54 H new ATOM 933 N ASN A 59 1.773 -8.055 -1.412 1.00 55.12 N ATOM 934 CA ASN A 59 1.322 -9.436 -1.712 1.00 22.23 C ATOM 935 C ASN A 59 1.967 -10.452 -0.754 1.00 12.25 C ATOM 936 O ASN A 59 2.921 -11.152 -1.126 1.00 74.23 O ATOM 937 CB ASN A 59 1.625 -9.825 -3.193 1.00 64.03 C ATOM 938 CG ASN A 59 0.844 -9.038 -4.244 1.00 62.32 C ATOM 939 OD1 ASN A 59 -0.260 -8.568 -4.003 1.00 30.15 O ATOM 940 ND2 ASN A 59 1.405 -8.927 -5.440 1.00 35.14 N ATOM 0 H ASN A 59 2.406 -7.674 -2.115 1.00 55.12 H new ATOM 0 HA ASN A 59 0.242 -9.461 -1.566 1.00 22.23 H new ATOM 0 HB2 ASN A 59 2.691 -9.688 -3.377 1.00 64.03 H new ATOM 0 HB3 ASN A 59 1.412 -10.886 -3.324 1.00 64.03 H new ATOM 0 HD21 ASN A 59 0.915 -8.439 -6.190 1.00 35.14 H new ATOM 0 HD22 ASN A 59 2.327 -9.329 -5.610 1.00 35.14 H new ATOM 947 N GLY A 60 1.444 -10.501 0.488 1.00 33.14 N ATOM 948 CA GLY A 60 1.956 -11.389 1.533 1.00 64.24 C ATOM 949 C GLY A 60 3.453 -11.217 1.795 1.00 63.52 C ATOM 950 O GLY A 60 4.170 -12.206 1.962 1.00 21.10 O ATOM 0 H GLY A 60 0.657 -9.925 0.787 1.00 33.14 H new ATOM 0 HA2 GLY A 60 1.409 -11.204 2.457 1.00 64.24 H new ATOM 0 HA3 GLY A 60 1.761 -12.423 1.249 1.00 64.24 H new ATOM 954 N ALA A 61 3.918 -9.954 1.786 1.00 63.03 N ATOM 955 CA ALA A 61 5.334 -9.614 2.046 1.00 74.11 C ATOM 956 C ALA A 61 5.692 -9.877 3.522 1.00 54.25 C ATOM 957 O ALA A 61 4.807 -9.846 4.386 1.00 33.52 O ATOM 958 CB ALA A 61 5.607 -8.150 1.662 1.00 41.20 C ATOM 0 H ALA A 61 3.328 -9.143 1.600 1.00 63.03 H new ATOM 0 HA ALA A 61 5.968 -10.252 1.430 1.00 74.11 H new ATOM 0 HB1 ALA A 61 6.652 -7.911 1.858 1.00 41.20 H new ATOM 0 HB2 ALA A 61 5.394 -8.006 0.603 1.00 41.20 H new ATOM 0 HB3 ALA A 61 4.968 -7.494 2.253 1.00 41.20 H new ATOM 964 N SER A 62 6.984 -10.131 3.802 1.00 22.23 N ATOM 965 CA SER A 62 7.469 -10.450 5.157 1.00 24.25 C ATOM 966 C SER A 62 7.366 -9.211 6.075 1.00 30.31 C ATOM 967 O SER A 62 7.289 -8.073 5.586 1.00 62.03 O ATOM 968 CB SER A 62 8.935 -10.944 5.078 1.00 2.15 C ATOM 969 OG SER A 62 9.079 -11.994 4.130 1.00 30.25 O ATOM 0 H SER A 62 7.720 -10.121 3.096 1.00 22.23 H new ATOM 0 HA SER A 62 6.848 -11.239 5.581 1.00 24.25 H new ATOM 0 HB2 SER A 62 9.586 -10.114 4.805 1.00 2.15 H new ATOM 0 HB3 SER A 62 9.257 -11.292 6.060 1.00 2.15 H new ATOM 0 HG SER A 62 10.015 -12.283 4.102 1.00 30.25 H new ATOM 975 N GLN A 63 7.369 -9.448 7.402 1.00 55.22 N ATOM 976 CA GLN A 63 7.353 -8.375 8.419 1.00 22.34 C ATOM 977 C GLN A 63 8.628 -7.523 8.308 1.00 13.43 C ATOM 978 O GLN A 63 8.623 -6.337 8.654 1.00 70.24 O ATOM 979 CB GLN A 63 7.192 -8.961 9.857 1.00 73.40 C ATOM 980 CG GLN A 63 7.091 -7.896 10.979 1.00 20.23 C ATOM 981 CD GLN A 63 5.919 -6.921 10.803 1.00 35.13 C ATOM 982 OE1 GLN A 63 4.860 -7.279 10.293 1.00 23.40 O ATOM 983 NE2 GLN A 63 6.115 -5.676 11.193 1.00 12.10 N ATOM 0 H GLN A 63 7.383 -10.387 7.800 1.00 55.22 H new ATOM 0 HA GLN A 63 6.491 -7.735 8.231 1.00 22.34 H new ATOM 0 HB2 GLN A 63 6.298 -9.584 9.884 1.00 73.40 H new ATOM 0 HB3 GLN A 63 8.040 -9.612 10.067 1.00 73.40 H new ATOM 0 HG2 GLN A 63 6.990 -8.402 11.939 1.00 20.23 H new ATOM 0 HG3 GLN A 63 8.021 -7.329 11.014 1.00 20.23 H new ATOM 0 HE21 GLN A 63 7.005 -5.407 11.613 1.00 12.10 H new ATOM 0 HE22 GLN A 63 5.377 -4.982 11.074 1.00 12.10 H new ATOM 992 N ASN A 64 9.712 -8.142 7.798 1.00 71.24 N ATOM 993 CA ASN A 64 10.942 -7.421 7.450 1.00 3.04 C ATOM 994 C ASN A 64 10.652 -6.333 6.398 1.00 71.01 C ATOM 995 O ASN A 64 11.031 -5.191 6.599 1.00 72.34 O ATOM 996 CB ASN A 64 12.050 -8.393 6.959 1.00 41.12 C ATOM 997 CG ASN A 64 12.564 -9.296 8.090 1.00 24.21 C ATOM 998 OD1 ASN A 64 12.021 -10.377 8.343 1.00 24.21 O ATOM 999 ND2 ASN A 64 13.608 -8.854 8.787 1.00 51.42 N ATOM 0 H ASN A 64 9.755 -9.145 7.619 1.00 71.24 H new ATOM 0 HA ASN A 64 11.313 -6.934 8.352 1.00 3.04 H new ATOM 0 HB2 ASN A 64 11.658 -9.011 6.151 1.00 41.12 H new ATOM 0 HB3 ASN A 64 12.880 -7.819 6.548 1.00 41.12 H new ATOM 0 HD21 ASN A 64 13.982 -9.412 9.555 1.00 51.42 H new ATOM 0 HD22 ASN A 64 14.034 -7.957 8.554 1.00 51.42 H new ATOM 1006 N ASP A 65 9.911 -6.696 5.324 1.00 5.51 N ATOM 1007 CA ASP A 65 9.535 -5.748 4.241 1.00 14.44 C ATOM 1008 C ASP A 65 8.643 -4.606 4.767 1.00 35.14 C ATOM 1009 O ASP A 65 8.769 -3.460 4.327 1.00 53.53 O ATOM 1010 CB ASP A 65 8.795 -6.476 3.086 1.00 40.42 C ATOM 1011 CG ASP A 65 9.645 -7.565 2.416 1.00 0.15 C ATOM 1012 OD1 ASP A 65 10.510 -7.234 1.583 1.00 64.13 O ATOM 1013 OD2 ASP A 65 9.469 -8.752 2.744 1.00 10.52 O ATOM 0 H ASP A 65 9.559 -7.643 5.182 1.00 5.51 H new ATOM 0 HA ASP A 65 10.466 -5.324 3.864 1.00 14.44 H new ATOM 0 HB2 ASP A 65 7.881 -6.925 3.475 1.00 40.42 H new ATOM 0 HB3 ASP A 65 8.496 -5.744 2.336 1.00 40.42 H new ATOM 1018 N VAL A 66 7.742 -4.952 5.700 1.00 42.23 N ATOM 1019 CA VAL A 66 6.843 -3.993 6.364 1.00 60.41 C ATOM 1020 C VAL A 66 7.660 -2.947 7.141 1.00 12.15 C ATOM 1021 O VAL A 66 7.486 -1.739 6.947 1.00 62.44 O ATOM 1022 CB VAL A 66 5.853 -4.747 7.330 1.00 75.12 C ATOM 1023 CG1 VAL A 66 4.977 -3.767 8.144 1.00 2.25 C ATOM 1024 CG2 VAL A 66 4.989 -5.746 6.526 1.00 14.21 C ATOM 0 H VAL A 66 7.615 -5.913 6.018 1.00 42.23 H new ATOM 0 HA VAL A 66 6.257 -3.480 5.602 1.00 60.41 H new ATOM 0 HB VAL A 66 6.447 -5.304 8.055 1.00 75.12 H new ATOM 0 HG11 VAL A 66 4.310 -4.331 8.796 1.00 2.25 H new ATOM 0 HG12 VAL A 66 5.616 -3.123 8.748 1.00 2.25 H new ATOM 0 HG13 VAL A 66 4.386 -3.155 7.462 1.00 2.25 H new ATOM 0 HG21 VAL A 66 4.307 -6.263 7.201 1.00 14.21 H new ATOM 0 HG22 VAL A 66 4.414 -5.206 5.773 1.00 14.21 H new ATOM 0 HG23 VAL A 66 5.636 -6.474 6.036 1.00 14.21 H new ATOM 1034 N ASN A 67 8.592 -3.440 7.972 1.00 1.02 N ATOM 1035 CA ASN A 67 9.451 -2.599 8.824 1.00 51.34 C ATOM 1036 C ASN A 67 10.407 -1.754 7.973 1.00 30.42 C ATOM 1037 O ASN A 67 10.614 -0.574 8.264 1.00 72.03 O ATOM 1038 CB ASN A 67 10.237 -3.467 9.845 1.00 12.25 C ATOM 1039 CG ASN A 67 9.330 -4.155 10.872 1.00 31.33 C ATOM 1040 OD1 ASN A 67 8.255 -3.653 11.218 1.00 75.32 O ATOM 1041 ND2 ASN A 67 9.765 -5.298 11.373 1.00 3.12 N ATOM 0 H ASN A 67 8.773 -4.439 8.073 1.00 1.02 H new ATOM 0 HA ASN A 67 8.809 -1.919 9.384 1.00 51.34 H new ATOM 0 HB2 ASN A 67 10.806 -4.225 9.307 1.00 12.25 H new ATOM 0 HB3 ASN A 67 10.958 -2.839 10.368 1.00 12.25 H new ATOM 0 HD21 ASN A 67 9.208 -5.795 12.068 1.00 3.12 H new ATOM 0 HD22 ASN A 67 10.658 -5.683 11.064 1.00 3.12 H new ATOM 1048 N GLU A 68 10.938 -2.361 6.892 1.00 21.31 N ATOM 1049 CA GLU A 68 11.823 -1.671 5.939 1.00 50.24 C ATOM 1050 C GLU A 68 11.080 -0.535 5.233 1.00 62.13 C ATOM 1051 O GLU A 68 11.624 0.546 5.081 1.00 24.21 O ATOM 1052 CB GLU A 68 12.413 -2.660 4.897 1.00 73.03 C ATOM 1053 CG GLU A 68 13.463 -3.630 5.470 1.00 50.21 C ATOM 1054 CD GLU A 68 14.710 -2.923 6.046 1.00 65.23 C ATOM 1055 OE1 GLU A 68 15.669 -2.686 5.291 1.00 14.43 O ATOM 1056 OE2 GLU A 68 14.734 -2.607 7.254 1.00 65.04 O ATOM 0 H GLU A 68 10.765 -3.339 6.658 1.00 21.31 H new ATOM 0 HA GLU A 68 12.651 -1.246 6.507 1.00 50.24 H new ATOM 0 HB2 GLU A 68 11.599 -3.240 4.462 1.00 73.03 H new ATOM 0 HB3 GLU A 68 12.866 -2.089 4.087 1.00 73.03 H new ATOM 0 HG2 GLU A 68 13.001 -4.230 6.254 1.00 50.21 H new ATOM 0 HG3 GLU A 68 13.776 -4.318 4.685 1.00 50.21 H new ATOM 1063 N PHE A 69 9.820 -0.792 4.847 1.00 64.13 N ATOM 1064 CA PHE A 69 8.969 0.208 4.177 1.00 65.31 C ATOM 1065 C PHE A 69 8.755 1.426 5.093 1.00 22.03 C ATOM 1066 O PHE A 69 8.856 2.574 4.657 1.00 23.14 O ATOM 1067 CB PHE A 69 7.610 -0.429 3.783 1.00 43.45 C ATOM 1068 CG PHE A 69 6.745 0.451 2.886 1.00 71.43 C ATOM 1069 CD1 PHE A 69 6.907 0.429 1.498 1.00 3.14 C ATOM 1070 CD2 PHE A 69 5.779 1.302 3.425 1.00 44.43 C ATOM 1071 CE1 PHE A 69 6.128 1.228 0.684 1.00 51.02 C ATOM 1072 CE2 PHE A 69 5.006 2.095 2.611 1.00 43.24 C ATOM 1073 CZ PHE A 69 5.179 2.059 1.242 1.00 10.54 C ATOM 0 H PHE A 69 9.363 -1.693 4.989 1.00 64.13 H new ATOM 0 HA PHE A 69 9.468 0.547 3.269 1.00 65.31 H new ATOM 0 HB2 PHE A 69 7.798 -1.374 3.274 1.00 43.45 H new ATOM 0 HB3 PHE A 69 7.053 -0.662 4.691 1.00 43.45 H new ATOM 0 HD1 PHE A 69 7.649 -0.220 1.057 1.00 3.14 H new ATOM 0 HD2 PHE A 69 5.637 1.338 4.495 1.00 44.43 H new ATOM 0 HE1 PHE A 69 6.262 1.202 -0.387 1.00 51.02 H new ATOM 0 HE2 PHE A 69 4.262 2.748 3.043 1.00 43.24 H new ATOM 0 HZ PHE A 69 4.569 2.683 0.606 1.00 10.54 H new ATOM 1083 N GLN A 70 8.506 1.130 6.375 1.00 54.44 N ATOM 1084 CA GLN A 70 8.314 2.140 7.424 1.00 1.21 C ATOM 1085 C GLN A 70 9.621 2.920 7.703 1.00 11.14 C ATOM 1086 O GLN A 70 9.573 4.112 8.020 1.00 21.53 O ATOM 1087 CB GLN A 70 7.793 1.453 8.708 1.00 4.15 C ATOM 1088 CG GLN A 70 6.431 0.759 8.529 1.00 1.43 C ATOM 1089 CD GLN A 70 5.944 0.063 9.799 1.00 33.12 C ATOM 1090 OE1 GLN A 70 5.251 0.665 10.621 1.00 74.42 O ATOM 1091 NE2 GLN A 70 6.306 -1.200 9.975 1.00 63.13 N ATOM 0 H GLN A 70 8.431 0.172 6.717 1.00 54.44 H new ATOM 0 HA GLN A 70 7.576 2.865 7.082 1.00 1.21 H new ATOM 0 HB2 GLN A 70 8.526 0.716 9.038 1.00 4.15 H new ATOM 0 HB3 GLN A 70 7.710 2.197 9.500 1.00 4.15 H new ATOM 0 HG2 GLN A 70 5.691 1.497 8.219 1.00 1.43 H new ATOM 0 HG3 GLN A 70 6.506 0.026 7.726 1.00 1.43 H new ATOM 0 HE21 GLN A 70 6.880 -1.668 9.274 1.00 63.13 H new ATOM 0 HE22 GLN A 70 6.010 -1.704 10.811 1.00 63.13 H new ATOM 1100 N ASN A 71 10.776 2.232 7.560 1.00 11.40 N ATOM 1101 CA ASN A 71 12.120 2.825 7.762 1.00 54.32 C ATOM 1102 C ASN A 71 12.459 3.794 6.624 1.00 32.25 C ATOM 1103 O ASN A 71 12.845 4.943 6.870 1.00 21.23 O ATOM 1104 CB ASN A 71 13.210 1.716 7.848 1.00 71.40 C ATOM 1105 CG ASN A 71 13.157 0.892 9.134 1.00 4.25 C ATOM 1106 OD1 ASN A 71 12.822 1.399 10.206 1.00 62.14 O ATOM 1107 ND2 ASN A 71 13.456 -0.393 9.023 1.00 25.23 N ATOM 0 H ASN A 71 10.804 1.246 7.300 1.00 11.40 H new ATOM 0 HA ASN A 71 12.103 3.374 8.704 1.00 54.32 H new ATOM 0 HB2 ASN A 71 13.101 1.047 6.995 1.00 71.40 H new ATOM 0 HB3 ASN A 71 14.193 2.180 7.766 1.00 71.40 H new ATOM 0 HD21 ASN A 71 13.413 -0.999 9.842 1.00 25.23 H new ATOM 0 HD22 ASN A 71 13.729 -0.777 8.118 1.00 25.23 H new ATOM 1114 N GLU A 72 12.285 3.318 5.380 1.00 1.11 N ATOM 1115 CA GLU A 72 12.655 4.075 4.170 1.00 13.40 C ATOM 1116 C GLU A 72 11.682 5.233 3.933 1.00 11.54 C ATOM 1117 O GLU A 72 12.019 6.198 3.246 1.00 45.31 O ATOM 1118 CB GLU A 72 12.723 3.159 2.919 1.00 33.12 C ATOM 1119 CG GLU A 72 13.579 1.875 3.079 1.00 11.55 C ATOM 1120 CD GLU A 72 14.923 2.077 3.803 1.00 42.40 C ATOM 1121 OE1 GLU A 72 15.813 2.745 3.243 1.00 3.43 O ATOM 1122 OE2 GLU A 72 15.106 1.558 4.932 1.00 60.55 O ATOM 0 H GLU A 72 11.885 2.400 5.184 1.00 1.11 H new ATOM 0 HA GLU A 72 13.651 4.485 4.336 1.00 13.40 H new ATOM 0 HB2 GLU A 72 11.708 2.867 2.648 1.00 33.12 H new ATOM 0 HB3 GLU A 72 13.121 3.739 2.086 1.00 33.12 H new ATOM 0 HG2 GLU A 72 12.996 1.133 3.626 1.00 11.55 H new ATOM 0 HG3 GLU A 72 13.775 1.461 2.090 1.00 11.55 H new ATOM 1129 N ALA A 73 10.470 5.112 4.493 1.00 51.31 N ATOM 1130 CA ALA A 73 9.483 6.186 4.470 1.00 32.24 C ATOM 1131 C ALA A 73 9.862 7.287 5.475 1.00 4.43 C ATOM 1132 O ALA A 73 10.000 8.452 5.093 1.00 11.32 O ATOM 1133 CB ALA A 73 8.084 5.623 4.756 1.00 1.23 C ATOM 0 H ALA A 73 10.153 4.269 4.971 1.00 51.31 H new ATOM 0 HA ALA A 73 9.470 6.635 3.477 1.00 32.24 H new ATOM 0 HB1 ALA A 73 7.355 6.433 4.737 1.00 1.23 H new ATOM 0 HB2 ALA A 73 7.827 4.885 3.997 1.00 1.23 H new ATOM 0 HB3 ALA A 73 8.076 5.151 5.738 1.00 1.23 H new ATOM 1139 N LYS A 74 10.096 6.901 6.752 1.00 55.13 N ATOM 1140 CA LYS A 74 10.326 7.881 7.841 1.00 43.34 C ATOM 1141 C LYS A 74 11.628 8.688 7.646 1.00 42.42 C ATOM 1142 O LYS A 74 11.645 9.901 7.888 1.00 72.10 O ATOM 1143 CB LYS A 74 10.298 7.206 9.243 1.00 13.52 C ATOM 1144 CG LYS A 74 11.481 6.261 9.555 1.00 70.12 C ATOM 1145 CD LYS A 74 11.387 5.630 10.962 1.00 54.42 C ATOM 1146 CE LYS A 74 12.511 4.614 11.231 1.00 41.21 C ATOM 1147 NZ LYS A 74 12.352 3.955 12.555 1.00 52.21 N ATOM 0 H LYS A 74 10.130 5.927 7.052 1.00 55.13 H new ATOM 0 HA LYS A 74 9.498 8.588 7.791 1.00 43.34 H new ATOM 0 HB2 LYS A 74 10.271 7.988 10.002 1.00 13.52 H new ATOM 0 HB3 LYS A 74 9.371 6.640 9.335 1.00 13.52 H new ATOM 0 HG2 LYS A 74 11.514 5.468 8.808 1.00 70.12 H new ATOM 0 HG3 LYS A 74 12.415 6.816 9.472 1.00 70.12 H new ATOM 0 HD2 LYS A 74 11.428 6.419 11.713 1.00 54.42 H new ATOM 0 HD3 LYS A 74 10.422 5.136 11.071 1.00 54.42 H new ATOM 0 HE2 LYS A 74 12.513 3.858 10.446 1.00 41.21 H new ATOM 0 HE3 LYS A 74 13.476 5.119 11.190 1.00 41.21 H new ATOM 0 HZ1 LYS A 74 13.127 3.277 12.701 1.00 52.21 H new ATOM 0 HZ2 LYS A 74 12.375 4.674 13.306 1.00 52.21 H new ATOM 0 HZ3 LYS A 74 11.442 3.452 12.585 1.00 52.21 H new ATOM 1161 N LYS A 75 12.701 8.024 7.160 1.00 64.32 N ATOM 1162 CA LYS A 75 14.029 8.667 6.984 1.00 51.21 C ATOM 1163 C LYS A 75 13.993 9.720 5.852 1.00 10.13 C ATOM 1164 O LYS A 75 14.814 10.641 5.822 1.00 13.15 O ATOM 1165 CB LYS A 75 15.130 7.599 6.703 1.00 52.44 C ATOM 1166 CG LYS A 75 14.979 6.864 5.355 1.00 53.45 C ATOM 1167 CD LYS A 75 16.087 5.817 5.086 1.00 42.15 C ATOM 1168 CE LYS A 75 16.181 4.726 6.166 1.00 12.34 C ATOM 1169 NZ LYS A 75 17.159 3.666 5.787 1.00 12.35 N ATOM 0 H LYS A 75 12.676 7.043 6.882 1.00 64.32 H new ATOM 0 HA LYS A 75 14.276 9.179 7.914 1.00 51.21 H new ATOM 0 HB2 LYS A 75 16.105 8.085 6.730 1.00 52.44 H new ATOM 0 HB3 LYS A 75 15.118 6.863 7.507 1.00 52.44 H new ATOM 0 HG2 LYS A 75 14.009 6.367 5.329 1.00 53.45 H new ATOM 0 HG3 LYS A 75 14.983 7.598 4.549 1.00 53.45 H new ATOM 0 HD2 LYS A 75 15.903 5.346 4.121 1.00 42.15 H new ATOM 0 HD3 LYS A 75 17.047 6.328 5.013 1.00 42.15 H new ATOM 0 HE2 LYS A 75 16.478 5.175 7.114 1.00 12.34 H new ATOM 0 HE3 LYS A 75 15.199 4.279 6.319 1.00 12.34 H new ATOM 0 HZ1 LYS A 75 17.054 2.852 6.426 1.00 12.35 H new ATOM 0 HZ2 LYS A 75 16.981 3.363 4.808 1.00 12.35 H new ATOM 0 HZ3 LYS A 75 18.126 4.042 5.863 1.00 12.35 H new ATOM 1183 N GLU A 76 13.024 9.561 4.934 1.00 42.41 N ATOM 1184 CA GLU A 76 12.826 10.462 3.781 1.00 71.05 C ATOM 1185 C GLU A 76 11.651 11.435 4.017 1.00 21.32 C ATOM 1186 O GLU A 76 11.381 12.302 3.170 1.00 23.12 O ATOM 1187 CB GLU A 76 12.578 9.601 2.516 1.00 51.20 C ATOM 1188 CG GLU A 76 13.718 8.615 2.167 1.00 54.12 C ATOM 1189 CD GLU A 76 15.067 9.305 1.926 1.00 5.35 C ATOM 1190 OE1 GLU A 76 15.298 9.798 0.797 1.00 43.25 O ATOM 1191 OE2 GLU A 76 15.905 9.357 2.853 1.00 31.42 O ATOM 0 H GLU A 76 12.349 8.797 4.970 1.00 42.41 H new ATOM 0 HA GLU A 76 13.720 11.070 3.647 1.00 71.05 H new ATOM 0 HB2 GLU A 76 11.657 9.035 2.654 1.00 51.20 H new ATOM 0 HB3 GLU A 76 12.419 10.266 1.667 1.00 51.20 H new ATOM 0 HG2 GLU A 76 13.826 7.895 2.978 1.00 54.12 H new ATOM 0 HG3 GLU A 76 13.442 8.052 1.275 1.00 54.12 H new ATOM 1198 N GLY A 77 10.955 11.265 5.160 1.00 41.31 N ATOM 1199 CA GLY A 77 9.826 12.126 5.538 1.00 10.00 C ATOM 1200 C GLY A 77 8.515 11.777 4.837 1.00 24.33 C ATOM 1201 O GLY A 77 7.548 12.545 4.915 1.00 1.11 O ATOM 0 H GLY A 77 11.161 10.532 5.839 1.00 41.31 H new ATOM 0 HA2 GLY A 77 9.678 12.061 6.616 1.00 10.00 H new ATOM 0 HA3 GLY A 77 10.081 13.162 5.313 1.00 10.00 H new ATOM 1205 N VAL A 78 8.489 10.621 4.150 1.00 24.00 N ATOM 1206 CA VAL A 78 7.287 10.108 3.474 1.00 44.42 C ATOM 1207 C VAL A 78 6.298 9.590 4.530 1.00 44.51 C ATOM 1208 O VAL A 78 6.578 8.594 5.210 1.00 21.53 O ATOM 1209 CB VAL A 78 7.641 8.960 2.452 1.00 24.52 C ATOM 1210 CG1 VAL A 78 6.384 8.418 1.731 1.00 35.53 C ATOM 1211 CG2 VAL A 78 8.704 9.431 1.439 1.00 25.01 C ATOM 0 H VAL A 78 9.304 10.016 4.049 1.00 24.00 H new ATOM 0 HA VAL A 78 6.835 10.922 2.907 1.00 44.42 H new ATOM 0 HB VAL A 78 8.061 8.134 3.026 1.00 24.52 H new ATOM 0 HG11 VAL A 78 6.674 7.629 1.037 1.00 35.53 H new ATOM 0 HG12 VAL A 78 5.688 8.016 2.467 1.00 35.53 H new ATOM 0 HG13 VAL A 78 5.903 9.227 1.181 1.00 35.53 H new ATOM 0 HG21 VAL A 78 8.930 8.621 0.746 1.00 25.01 H new ATOM 0 HG22 VAL A 78 8.323 10.288 0.884 1.00 25.01 H new ATOM 0 HG23 VAL A 78 9.611 9.718 1.971 1.00 25.01 H new ATOM 1221 N SER A 79 5.167 10.298 4.682 1.00 21.14 N ATOM 1222 CA SER A 79 4.108 9.927 5.627 1.00 71.30 C ATOM 1223 C SER A 79 3.438 8.606 5.188 1.00 1.24 C ATOM 1224 O SER A 79 3.017 8.473 4.038 1.00 52.11 O ATOM 1225 CB SER A 79 3.075 11.071 5.718 1.00 75.11 C ATOM 1226 OG SER A 79 3.706 12.282 6.109 1.00 0.04 O ATOM 0 H SER A 79 4.964 11.145 4.151 1.00 21.14 H new ATOM 0 HA SER A 79 4.541 9.769 6.615 1.00 71.30 H new ATOM 0 HB2 SER A 79 2.585 11.204 4.753 1.00 75.11 H new ATOM 0 HB3 SER A 79 2.298 10.811 6.437 1.00 75.11 H new ATOM 0 HG SER A 79 3.038 12.997 6.160 1.00 0.04 H new ATOM 1232 N TYR A 80 3.373 7.623 6.099 1.00 52.12 N ATOM 1233 CA TYR A 80 2.775 6.303 5.820 1.00 60.23 C ATOM 1234 C TYR A 80 1.672 5.980 6.833 1.00 4.13 C ATOM 1235 O TYR A 80 1.641 6.539 7.941 1.00 51.44 O ATOM 1236 CB TYR A 80 3.863 5.187 5.819 1.00 31.24 C ATOM 1237 CG TYR A 80 4.650 5.020 7.133 1.00 62.45 C ATOM 1238 CD1 TYR A 80 5.799 5.771 7.385 1.00 70.24 C ATOM 1239 CD2 TYR A 80 4.252 4.104 8.117 1.00 61.40 C ATOM 1240 CE1 TYR A 80 6.520 5.619 8.553 1.00 52.21 C ATOM 1241 CE2 TYR A 80 4.976 3.948 9.284 1.00 12.55 C ATOM 1242 CZ TYR A 80 6.105 4.710 9.498 1.00 14.03 C ATOM 1243 OH TYR A 80 6.832 4.543 10.659 1.00 5.40 O ATOM 0 H TYR A 80 3.732 7.718 7.049 1.00 52.12 H new ATOM 0 HA TYR A 80 2.327 6.341 4.827 1.00 60.23 H new ATOM 0 HB2 TYR A 80 3.383 4.238 5.581 1.00 31.24 H new ATOM 0 HB3 TYR A 80 4.571 5.396 5.017 1.00 31.24 H new ATOM 0 HD1 TYR A 80 6.132 6.488 6.649 1.00 70.24 H new ATOM 0 HD2 TYR A 80 3.364 3.510 7.960 1.00 61.40 H new ATOM 0 HE1 TYR A 80 7.406 6.212 8.724 1.00 52.21 H new ATOM 0 HE2 TYR A 80 4.658 3.231 10.026 1.00 12.55 H new ATOM 0 HH TYR A 80 6.402 3.864 11.220 1.00 5.40 H new ATOM 1253 N ASP A 81 0.788 5.056 6.441 1.00 10.51 N ATOM 1254 CA ASP A 81 -0.281 4.527 7.298 1.00 60.14 C ATOM 1255 C ASP A 81 -0.373 3.019 7.081 1.00 3.13 C ATOM 1256 O ASP A 81 -0.582 2.564 5.952 1.00 35.12 O ATOM 1257 CB ASP A 81 -1.632 5.215 6.971 1.00 54.51 C ATOM 1258 CG ASP A 81 -2.830 4.681 7.785 1.00 34.51 C ATOM 1259 OD1 ASP A 81 -2.700 4.492 9.021 1.00 54.04 O ATOM 1260 OD2 ASP A 81 -3.905 4.448 7.196 1.00 2.33 O ATOM 0 H ASP A 81 0.794 4.648 5.506 1.00 10.51 H new ATOM 0 HA ASP A 81 -0.054 4.733 8.344 1.00 60.14 H new ATOM 0 HB2 ASP A 81 -1.534 6.286 7.151 1.00 54.51 H new ATOM 0 HB3 ASP A 81 -1.844 5.088 5.909 1.00 54.51 H new ATOM 1265 N VAL A 82 -0.204 2.261 8.165 1.00 74.01 N ATOM 1266 CA VAL A 82 -0.197 0.790 8.136 1.00 25.22 C ATOM 1267 C VAL A 82 -1.632 0.283 8.335 1.00 2.32 C ATOM 1268 O VAL A 82 -2.354 0.763 9.215 1.00 51.22 O ATOM 1269 CB VAL A 82 0.777 0.181 9.227 1.00 50.31 C ATOM 1270 CG1 VAL A 82 0.803 -1.365 9.164 1.00 0.41 C ATOM 1271 CG2 VAL A 82 2.204 0.770 9.072 1.00 53.22 C ATOM 0 H VAL A 82 -0.067 2.650 9.098 1.00 74.01 H new ATOM 0 HA VAL A 82 0.179 0.460 7.167 1.00 25.22 H new ATOM 0 HB VAL A 82 0.396 0.459 10.209 1.00 50.31 H new ATOM 0 HG11 VAL A 82 1.481 -1.749 9.926 1.00 0.41 H new ATOM 0 HG12 VAL A 82 -0.200 -1.753 9.342 1.00 0.41 H new ATOM 0 HG13 VAL A 82 1.146 -1.683 8.180 1.00 0.41 H new ATOM 0 HG21 VAL A 82 2.859 0.340 9.830 1.00 53.22 H new ATOM 0 HG22 VAL A 82 2.590 0.532 8.081 1.00 53.22 H new ATOM 0 HG23 VAL A 82 2.166 1.852 9.196 1.00 53.22 H new ATOM 1281 N LEU A 83 -2.034 -0.670 7.494 1.00 71.13 N ATOM 1282 CA LEU A 83 -3.391 -1.226 7.465 1.00 52.21 C ATOM 1283 C LEU A 83 -3.290 -2.752 7.529 1.00 64.03 C ATOM 1284 O LEU A 83 -2.901 -3.395 6.555 1.00 12.43 O ATOM 1285 CB LEU A 83 -4.114 -0.768 6.168 1.00 53.01 C ATOM 1286 CG LEU A 83 -5.548 -1.340 5.916 1.00 24.43 C ATOM 1287 CD1 LEU A 83 -6.537 -0.941 7.032 1.00 60.20 C ATOM 1288 CD2 LEU A 83 -6.054 -0.909 4.525 1.00 55.41 C ATOM 0 H LEU A 83 -1.415 -1.087 6.799 1.00 71.13 H new ATOM 0 HA LEU A 83 -3.970 -0.870 8.317 1.00 52.21 H new ATOM 0 HB2 LEU A 83 -4.181 0.320 6.183 1.00 53.01 H new ATOM 0 HB3 LEU A 83 -3.487 -1.037 5.318 1.00 53.01 H new ATOM 0 HG LEU A 83 -5.485 -2.428 5.938 1.00 24.43 H new ATOM 0 HD11 LEU A 83 -7.519 -1.360 6.815 1.00 60.20 H new ATOM 0 HD12 LEU A 83 -6.182 -1.326 7.988 1.00 60.20 H new ATOM 0 HD13 LEU A 83 -6.609 0.145 7.083 1.00 60.20 H new ATOM 0 HD21 LEU A 83 -7.053 -1.313 4.360 1.00 55.41 H new ATOM 0 HD22 LEU A 83 -6.089 0.179 4.472 1.00 55.41 H new ATOM 0 HD23 LEU A 83 -5.378 -1.288 3.758 1.00 55.41 H new ATOM 1300 N LYS A 84 -3.595 -3.318 8.700 1.00 10.20 N ATOM 1301 CA LYS A 84 -3.533 -4.770 8.925 1.00 20.23 C ATOM 1302 C LYS A 84 -4.955 -5.345 8.877 1.00 53.21 C ATOM 1303 O LYS A 84 -5.722 -5.176 9.834 1.00 51.14 O ATOM 1304 CB LYS A 84 -2.866 -5.070 10.302 1.00 23.43 C ATOM 1305 CG LYS A 84 -2.187 -6.457 10.390 1.00 54.43 C ATOM 1306 CD LYS A 84 -0.851 -6.510 9.619 1.00 44.14 C ATOM 1307 CE LYS A 84 0.179 -5.495 10.150 1.00 13.35 C ATOM 1308 NZ LYS A 84 0.497 -5.705 11.587 1.00 32.52 N ATOM 0 H LYS A 84 -3.891 -2.787 9.519 1.00 10.20 H new ATOM 0 HA LYS A 84 -2.930 -5.238 8.147 1.00 20.23 H new ATOM 0 HB2 LYS A 84 -2.122 -4.300 10.508 1.00 23.43 H new ATOM 0 HB3 LYS A 84 -3.623 -4.999 11.083 1.00 23.43 H new ATOM 0 HG2 LYS A 84 -2.009 -6.705 11.436 1.00 54.43 H new ATOM 0 HG3 LYS A 84 -2.862 -7.215 9.993 1.00 54.43 H new ATOM 0 HD2 LYS A 84 -0.435 -7.515 9.689 1.00 44.14 H new ATOM 0 HD3 LYS A 84 -1.037 -6.315 8.563 1.00 44.14 H new ATOM 0 HE2 LYS A 84 1.095 -5.571 9.564 1.00 13.35 H new ATOM 0 HE3 LYS A 84 -0.206 -4.485 10.010 1.00 13.35 H new ATOM 0 HZ1 LYS A 84 1.255 -5.053 11.874 1.00 32.52 H new ATOM 0 HZ2 LYS A 84 -0.351 -5.523 12.160 1.00 32.52 H new ATOM 0 HZ3 LYS A 84 0.810 -6.686 11.734 1.00 32.52 H new ATOM 1322 N SER A 85 -5.310 -5.999 7.759 1.00 45.25 N ATOM 1323 CA SER A 85 -6.665 -6.540 7.551 1.00 32.32 C ATOM 1324 C SER A 85 -6.654 -7.614 6.458 1.00 34.34 C ATOM 1325 O SER A 85 -5.670 -7.752 5.736 1.00 11.21 O ATOM 1326 CB SER A 85 -7.637 -5.394 7.165 1.00 45.04 C ATOM 1327 OG SER A 85 -8.980 -5.842 7.040 1.00 70.33 O ATOM 0 H SER A 85 -4.673 -6.167 6.980 1.00 45.25 H new ATOM 0 HA SER A 85 -7.005 -6.998 8.480 1.00 32.32 H new ATOM 0 HB2 SER A 85 -7.587 -4.609 7.920 1.00 45.04 H new ATOM 0 HB3 SER A 85 -7.316 -4.950 6.223 1.00 45.04 H new ATOM 0 HG SER A 85 -9.144 -6.566 7.679 1.00 70.33 H new ATOM 1333 N THR A 86 -7.750 -8.381 6.368 1.00 24.42 N ATOM 1334 CA THR A 86 -8.007 -9.324 5.254 1.00 65.33 C ATOM 1335 C THR A 86 -9.485 -9.242 4.841 1.00 65.32 C ATOM 1336 O THR A 86 -9.988 -10.120 4.141 1.00 72.44 O ATOM 1337 CB THR A 86 -7.635 -10.804 5.633 1.00 71.23 C ATOM 1338 OG1 THR A 86 -8.283 -11.170 6.864 1.00 24.23 O ATOM 1339 CG2 THR A 86 -6.115 -11.014 5.770 1.00 3.32 C ATOM 0 H THR A 86 -8.492 -8.369 7.068 1.00 24.42 H new ATOM 0 HA THR A 86 -7.370 -9.034 4.418 1.00 65.33 H new ATOM 0 HB THR A 86 -7.982 -11.441 4.819 1.00 71.23 H new ATOM 0 HG1 THR A 86 -8.049 -12.093 7.095 1.00 24.23 H new ATOM 0 HG21 THR A 86 -5.913 -12.053 6.033 1.00 3.32 H new ATOM 0 HG22 THR A 86 -5.628 -10.778 4.824 1.00 3.32 H new ATOM 0 HG23 THR A 86 -5.726 -10.360 6.551 1.00 3.32 H new ATOM 1347 N ASP A 87 -10.170 -8.175 5.282 1.00 31.11 N ATOM 1348 CA ASP A 87 -11.594 -7.946 4.998 1.00 32.33 C ATOM 1349 C ASP A 87 -11.712 -7.183 3.664 1.00 75.23 C ATOM 1350 O ASP A 87 -11.273 -6.037 3.602 1.00 21.41 O ATOM 1351 CB ASP A 87 -12.252 -7.127 6.141 1.00 62.32 C ATOM 1352 CG ASP A 87 -12.107 -7.804 7.508 1.00 20.10 C ATOM 1353 OD1 ASP A 87 -10.997 -7.763 8.077 1.00 32.43 O ATOM 1354 OD2 ASP A 87 -13.089 -8.387 8.015 1.00 74.42 O ATOM 0 H ASP A 87 -9.747 -7.441 5.850 1.00 31.11 H new ATOM 0 HA ASP A 87 -12.111 -8.903 4.927 1.00 32.33 H new ATOM 0 HB2 ASP A 87 -11.800 -6.136 6.180 1.00 62.32 H new ATOM 0 HB3 ASP A 87 -13.310 -6.986 5.920 1.00 62.32 H new ATOM 1359 N PRO A 88 -12.288 -7.802 2.581 1.00 45.33 N ATOM 1360 CA PRO A 88 -12.476 -7.137 1.264 1.00 21.13 C ATOM 1361 C PRO A 88 -13.197 -5.787 1.378 1.00 72.10 C ATOM 1362 O PRO A 88 -12.776 -4.792 0.781 1.00 31.03 O ATOM 1363 CB PRO A 88 -13.324 -8.145 0.448 1.00 42.51 C ATOM 1364 CG PRO A 88 -13.051 -9.471 1.090 1.00 3.52 C ATOM 1365 CD PRO A 88 -12.787 -9.198 2.557 1.00 75.01 C ATOM 0 HA PRO A 88 -11.519 -6.903 0.798 1.00 21.13 H new ATOM 0 HB2 PRO A 88 -14.384 -7.895 0.488 1.00 42.51 H new ATOM 0 HB3 PRO A 88 -13.036 -8.146 -0.603 1.00 42.51 H new ATOM 0 HG2 PRO A 88 -13.901 -10.142 0.968 1.00 3.52 H new ATOM 0 HG3 PRO A 88 -12.192 -9.956 0.626 1.00 3.52 H new ATOM 0 HD2 PRO A 88 -13.694 -9.308 3.152 1.00 75.01 H new ATOM 0 HD3 PRO A 88 -12.052 -9.891 2.965 1.00 75.01 H new ATOM 1373 N GLU A 89 -14.278 -5.790 2.170 1.00 45.42 N ATOM 1374 CA GLU A 89 -15.091 -4.593 2.455 1.00 23.52 C ATOM 1375 C GLU A 89 -14.249 -3.452 3.086 1.00 74.41 C ATOM 1376 O GLU A 89 -14.335 -2.293 2.645 1.00 45.42 O ATOM 1377 CB GLU A 89 -16.298 -4.977 3.357 1.00 15.44 C ATOM 1378 CG GLU A 89 -15.925 -5.713 4.665 1.00 1.33 C ATOM 1379 CD GLU A 89 -17.150 -6.149 5.485 1.00 24.00 C ATOM 1380 OE1 GLU A 89 -17.666 -5.335 6.279 1.00 13.55 O ATOM 1381 OE2 GLU A 89 -17.596 -7.314 5.343 1.00 14.25 O ATOM 0 H GLU A 89 -14.618 -6.630 2.637 1.00 45.42 H new ATOM 0 HA GLU A 89 -15.470 -4.207 1.509 1.00 23.52 H new ATOM 0 HB2 GLU A 89 -16.846 -4.070 3.611 1.00 15.44 H new ATOM 0 HB3 GLU A 89 -16.976 -5.608 2.783 1.00 15.44 H new ATOM 0 HG2 GLU A 89 -15.327 -6.591 4.422 1.00 1.33 H new ATOM 0 HG3 GLU A 89 -15.300 -5.061 5.276 1.00 1.33 H new ATOM 1388 N GLU A 90 -13.391 -3.794 4.073 1.00 75.54 N ATOM 1389 CA GLU A 90 -12.573 -2.794 4.778 1.00 43.40 C ATOM 1390 C GLU A 90 -11.487 -2.242 3.847 1.00 61.24 C ATOM 1391 O GLU A 90 -11.345 -1.031 3.723 1.00 22.20 O ATOM 1392 CB GLU A 90 -11.953 -3.352 6.091 1.00 4.32 C ATOM 1393 CG GLU A 90 -11.212 -2.280 6.930 1.00 33.34 C ATOM 1394 CD GLU A 90 -10.805 -2.759 8.330 1.00 1.42 C ATOM 1395 OE1 GLU A 90 -11.657 -2.726 9.245 1.00 72.52 O ATOM 1396 OE2 GLU A 90 -9.645 -3.176 8.519 1.00 72.23 O ATOM 0 H GLU A 90 -13.251 -4.752 4.395 1.00 75.54 H new ATOM 0 HA GLU A 90 -13.235 -1.979 5.069 1.00 43.40 H new ATOM 0 HB2 GLU A 90 -12.744 -3.794 6.697 1.00 4.32 H new ATOM 0 HB3 GLU A 90 -11.256 -4.153 5.843 1.00 4.32 H new ATOM 0 HG2 GLU A 90 -10.319 -1.964 6.391 1.00 33.34 H new ATOM 0 HG3 GLU A 90 -11.852 -1.403 7.028 1.00 33.34 H new ATOM 1403 N LEU A 91 -10.776 -3.135 3.135 1.00 71.42 N ATOM 1404 CA LEU A 91 -9.671 -2.728 2.241 1.00 43.32 C ATOM 1405 C LEU A 91 -10.168 -1.806 1.099 1.00 34.40 C ATOM 1406 O LEU A 91 -9.478 -0.853 0.726 1.00 51.21 O ATOM 1407 CB LEU A 91 -8.931 -3.972 1.668 1.00 31.41 C ATOM 1408 CG LEU A 91 -8.282 -4.945 2.708 1.00 61.11 C ATOM 1409 CD1 LEU A 91 -7.464 -6.044 2.001 1.00 33.40 C ATOM 1410 CD2 LEU A 91 -7.416 -4.192 3.734 1.00 32.14 C ATOM 0 H LEU A 91 -10.944 -4.141 3.159 1.00 71.42 H new ATOM 0 HA LEU A 91 -8.962 -2.155 2.839 1.00 43.32 H new ATOM 0 HB2 LEU A 91 -9.639 -4.541 1.065 1.00 31.41 H new ATOM 0 HB3 LEU A 91 -8.148 -3.622 0.995 1.00 31.41 H new ATOM 0 HG LEU A 91 -9.095 -5.422 3.255 1.00 61.11 H new ATOM 0 HD11 LEU A 91 -7.024 -6.706 2.746 1.00 33.40 H new ATOM 0 HD12 LEU A 91 -8.118 -6.619 1.345 1.00 33.40 H new ATOM 0 HD13 LEU A 91 -6.671 -5.585 1.411 1.00 33.40 H new ATOM 0 HD21 LEU A 91 -6.984 -4.904 4.438 1.00 32.14 H new ATOM 0 HD22 LEU A 91 -6.616 -3.663 3.216 1.00 32.14 H new ATOM 0 HD23 LEU A 91 -8.034 -3.476 4.276 1.00 32.14 H new ATOM 1422 N THR A 92 -11.391 -2.081 0.584 1.00 45.32 N ATOM 1423 CA THR A 92 -12.032 -1.270 -0.476 1.00 52.44 C ATOM 1424 C THR A 92 -12.361 0.150 0.027 1.00 64.45 C ATOM 1425 O THR A 92 -12.034 1.147 -0.642 1.00 15.15 O ATOM 1426 CB THR A 92 -13.333 -1.971 -1.013 1.00 74.21 C ATOM 1427 OG1 THR A 92 -12.998 -3.260 -1.554 1.00 70.44 O ATOM 1428 CG2 THR A 92 -14.059 -1.146 -2.099 1.00 52.13 C ATOM 0 H THR A 92 -11.959 -2.870 0.892 1.00 45.32 H new ATOM 0 HA THR A 92 -11.320 -1.185 -1.297 1.00 52.44 H new ATOM 0 HB THR A 92 -14.012 -2.066 -0.165 1.00 74.21 H new ATOM 0 HG1 THR A 92 -12.888 -3.903 -0.823 1.00 70.44 H new ATOM 0 HG21 THR A 92 -14.949 -1.682 -2.429 1.00 52.13 H new ATOM 0 HG22 THR A 92 -14.350 -0.179 -1.688 1.00 52.13 H new ATOM 0 HG23 THR A 92 -13.391 -0.994 -2.947 1.00 52.13 H new ATOM 1436 N GLN A 93 -12.989 0.241 1.221 1.00 11.41 N ATOM 1437 CA GLN A 93 -13.372 1.541 1.800 1.00 43.33 C ATOM 1438 C GLN A 93 -12.118 2.341 2.217 1.00 74.04 C ATOM 1439 O GLN A 93 -12.113 3.559 2.121 1.00 11.20 O ATOM 1440 CB GLN A 93 -14.356 1.375 2.993 1.00 60.04 C ATOM 1441 CG GLN A 93 -13.739 0.811 4.287 1.00 72.22 C ATOM 1442 CD GLN A 93 -14.705 0.647 5.471 1.00 34.32 C ATOM 1443 OE1 GLN A 93 -14.536 -0.254 6.296 1.00 51.01 O ATOM 1444 NE2 GLN A 93 -15.687 1.532 5.603 1.00 24.32 N ATOM 0 H GLN A 93 -13.238 -0.564 1.795 1.00 11.41 H new ATOM 0 HA GLN A 93 -13.897 2.105 1.029 1.00 43.33 H new ATOM 0 HB2 GLN A 93 -14.798 2.346 3.215 1.00 60.04 H new ATOM 0 HB3 GLN A 93 -15.169 0.719 2.682 1.00 60.04 H new ATOM 0 HG2 GLN A 93 -13.299 -0.161 4.064 1.00 72.22 H new ATOM 0 HG3 GLN A 93 -12.924 1.467 4.595 1.00 72.22 H new ATOM 0 HE21 GLN A 93 -15.807 2.268 4.907 1.00 24.32 H new ATOM 0 HE22 GLN A 93 -16.321 1.475 6.400 1.00 24.32 H new ATOM 1453 N ARG A 94 -11.041 1.639 2.631 1.00 13.33 N ATOM 1454 CA ARG A 94 -9.782 2.285 3.059 1.00 42.24 C ATOM 1455 C ARG A 94 -9.047 2.947 1.879 1.00 60.24 C ATOM 1456 O ARG A 94 -8.310 3.916 2.085 1.00 72.30 O ATOM 1457 CB ARG A 94 -8.854 1.267 3.769 1.00 42.14 C ATOM 1458 CG ARG A 94 -9.366 0.767 5.142 1.00 65.01 C ATOM 1459 CD ARG A 94 -9.455 1.861 6.217 1.00 72.22 C ATOM 1460 NE ARG A 94 -9.852 1.308 7.526 1.00 11.15 N ATOM 1461 CZ ARG A 94 -9.208 1.514 8.689 1.00 74.42 C ATOM 1462 NH1 ARG A 94 -8.106 2.270 8.737 1.00 65.11 N ATOM 1463 NH2 ARG A 94 -9.677 0.953 9.794 1.00 23.02 N ATOM 0 H ARG A 94 -11.019 0.620 2.678 1.00 13.33 H new ATOM 0 HA ARG A 94 -10.048 3.071 3.766 1.00 42.24 H new ATOM 0 HB2 ARG A 94 -8.714 0.407 3.114 1.00 42.14 H new ATOM 0 HB3 ARG A 94 -7.875 1.725 3.907 1.00 42.14 H new ATOM 0 HG2 ARG A 94 -10.352 0.322 5.009 1.00 65.01 H new ATOM 0 HG3 ARG A 94 -8.705 -0.023 5.498 1.00 65.01 H new ATOM 0 HD2 ARG A 94 -8.490 2.359 6.310 1.00 72.22 H new ATOM 0 HD3 ARG A 94 -10.176 2.618 5.908 1.00 72.22 H new ATOM 0 HE ARG A 94 -10.685 0.720 7.551 1.00 11.15 H new ATOM 0 HH11 ARG A 94 -7.744 2.699 7.885 1.00 65.11 H new ATOM 0 HH12 ARG A 94 -7.627 2.418 9.626 1.00 65.11 H new ATOM 0 HH21 ARG A 94 -10.516 0.374 9.756 1.00 23.02 H new ATOM 0 HH22 ARG A 94 -9.199 1.100 10.683 1.00 23.02 H new ATOM 1477 N VAL A 95 -9.240 2.415 0.653 1.00 30.40 N ATOM 1478 CA VAL A 95 -8.703 3.037 -0.572 1.00 12.34 C ATOM 1479 C VAL A 95 -9.330 4.430 -0.771 1.00 41.00 C ATOM 1480 O VAL A 95 -8.606 5.406 -0.932 1.00 74.04 O ATOM 1481 CB VAL A 95 -8.931 2.139 -1.851 1.00 34.50 C ATOM 1482 CG1 VAL A 95 -8.525 2.876 -3.151 1.00 71.33 C ATOM 1483 CG2 VAL A 95 -8.173 0.794 -1.726 1.00 35.35 C ATOM 0 H VAL A 95 -9.764 1.556 0.487 1.00 30.40 H new ATOM 0 HA VAL A 95 -7.625 3.138 -0.444 1.00 12.34 H new ATOM 0 HB VAL A 95 -9.999 1.929 -1.912 1.00 34.50 H new ATOM 0 HG11 VAL A 95 -8.697 2.224 -4.008 1.00 71.33 H new ATOM 0 HG12 VAL A 95 -9.123 3.781 -3.258 1.00 71.33 H new ATOM 0 HG13 VAL A 95 -7.469 3.142 -3.104 1.00 71.33 H new ATOM 0 HG21 VAL A 95 -8.346 0.194 -2.619 1.00 35.35 H new ATOM 0 HG22 VAL A 95 -7.105 0.987 -1.620 1.00 35.35 H new ATOM 0 HG23 VAL A 95 -8.533 0.253 -0.851 1.00 35.35 H new ATOM 1493 N ARG A 96 -10.676 4.522 -0.702 1.00 4.14 N ATOM 1494 CA ARG A 96 -11.381 5.809 -0.912 1.00 3.44 C ATOM 1495 C ARG A 96 -11.175 6.773 0.276 1.00 52.23 C ATOM 1496 O ARG A 96 -11.199 7.997 0.086 1.00 15.32 O ATOM 1497 CB ARG A 96 -12.894 5.605 -1.208 1.00 2.43 C ATOM 1498 CG ARG A 96 -13.723 5.017 -0.049 1.00 35.25 C ATOM 1499 CD ARG A 96 -15.231 4.939 -0.351 1.00 53.32 C ATOM 1500 NE ARG A 96 -15.556 3.979 -1.427 1.00 70.34 N ATOM 1501 CZ ARG A 96 -16.685 3.245 -1.497 1.00 41.23 C ATOM 1502 NH1 ARG A 96 -17.629 3.335 -0.559 1.00 70.12 N ATOM 1503 NH2 ARG A 96 -16.859 2.386 -2.502 1.00 33.34 N ATOM 0 H ARG A 96 -11.291 3.732 -0.505 1.00 4.14 H new ATOM 0 HA ARG A 96 -10.935 6.268 -1.795 1.00 3.44 H new ATOM 0 HB2 ARG A 96 -13.324 6.566 -1.488 1.00 2.43 H new ATOM 0 HB3 ARG A 96 -12.992 4.948 -2.072 1.00 2.43 H new ATOM 0 HG2 ARG A 96 -13.354 4.017 0.180 1.00 35.25 H new ATOM 0 HG3 ARG A 96 -13.570 5.626 0.842 1.00 35.25 H new ATOM 0 HD2 ARG A 96 -15.763 4.653 0.556 1.00 53.32 H new ATOM 0 HD3 ARG A 96 -15.591 5.928 -0.633 1.00 53.32 H new ATOM 0 HE ARG A 96 -14.873 3.863 -2.175 1.00 70.34 H new ATOM 0 HH11 ARG A 96 -17.504 3.968 0.231 1.00 70.12 H new ATOM 0 HH12 ARG A 96 -18.475 2.771 -0.632 1.00 70.12 H new ATOM 0 HH21 ARG A 96 -16.138 2.285 -3.217 1.00 33.34 H new ATOM 0 HH22 ARG A 96 -17.713 1.830 -2.556 1.00 33.34 H new ATOM 1517 N GLU A 97 -10.953 6.220 1.495 1.00 55.23 N ATOM 1518 CA GLU A 97 -10.583 7.032 2.674 1.00 14.42 C ATOM 1519 C GLU A 97 -9.170 7.591 2.507 1.00 31.31 C ATOM 1520 O GLU A 97 -8.879 8.702 2.960 1.00 33.11 O ATOM 1521 CB GLU A 97 -10.684 6.230 3.997 1.00 11.12 C ATOM 1522 CG GLU A 97 -12.089 5.700 4.330 1.00 15.21 C ATOM 1523 CD GLU A 97 -13.200 6.760 4.213 1.00 55.34 C ATOM 1524 OE1 GLU A 97 -13.387 7.540 5.165 1.00 14.23 O ATOM 1525 OE2 GLU A 97 -13.909 6.795 3.177 1.00 42.42 O ATOM 0 H GLU A 97 -11.024 5.220 1.683 1.00 55.23 H new ATOM 0 HA GLU A 97 -11.297 7.853 2.736 1.00 14.42 H new ATOM 0 HB2 GLU A 97 -9.996 5.386 3.946 1.00 11.12 H new ATOM 0 HB3 GLU A 97 -10.348 6.866 4.816 1.00 11.12 H new ATOM 0 HG2 GLU A 97 -12.321 4.870 3.663 1.00 15.21 H new ATOM 0 HG3 GLU A 97 -12.085 5.302 5.345 1.00 15.21 H new ATOM 1532 N PHE A 98 -8.303 6.806 1.838 1.00 53.43 N ATOM 1533 CA PHE A 98 -6.951 7.244 1.497 1.00 14.00 C ATOM 1534 C PHE A 98 -7.019 8.400 0.491 1.00 45.41 C ATOM 1535 O PHE A 98 -6.337 9.397 0.652 1.00 71.32 O ATOM 1536 CB PHE A 98 -6.089 6.085 0.922 1.00 41.33 C ATOM 1537 CG PHE A 98 -4.716 6.559 0.467 1.00 33.53 C ATOM 1538 CD1 PHE A 98 -3.714 6.812 1.398 1.00 32.04 C ATOM 1539 CD2 PHE A 98 -4.442 6.795 -0.883 1.00 13.44 C ATOM 1540 CE1 PHE A 98 -2.496 7.293 0.996 1.00 73.13 C ATOM 1541 CE2 PHE A 98 -3.217 7.268 -1.280 1.00 75.44 C ATOM 1542 CZ PHE A 98 -2.244 7.515 -0.338 1.00 31.21 C ATOM 0 H PHE A 98 -8.525 5.861 1.525 1.00 53.43 H new ATOM 0 HA PHE A 98 -6.470 7.582 2.415 1.00 14.00 H new ATOM 0 HB2 PHE A 98 -5.971 5.311 1.681 1.00 41.33 H new ATOM 0 HB3 PHE A 98 -6.611 5.629 0.081 1.00 41.33 H new ATOM 0 HD1 PHE A 98 -3.898 6.628 2.446 1.00 32.04 H new ATOM 0 HD2 PHE A 98 -5.204 6.603 -1.623 1.00 13.44 H new ATOM 0 HE1 PHE A 98 -1.730 7.499 1.729 1.00 73.13 H new ATOM 0 HE2 PHE A 98 -3.017 7.446 -2.326 1.00 75.44 H new ATOM 0 HZ PHE A 98 -1.278 7.885 -0.648 1.00 31.21 H new ATOM 1552 N LEU A 99 -7.863 8.241 -0.536 1.00 71.02 N ATOM 1553 CA LEU A 99 -8.037 9.245 -1.603 1.00 44.40 C ATOM 1554 C LEU A 99 -8.708 10.530 -1.060 1.00 14.44 C ATOM 1555 O LEU A 99 -8.551 11.616 -1.632 1.00 35.52 O ATOM 1556 CB LEU A 99 -8.868 8.629 -2.759 1.00 13.23 C ATOM 1557 CG LEU A 99 -8.307 7.312 -3.384 1.00 25.00 C ATOM 1558 CD1 LEU A 99 -9.270 6.752 -4.450 1.00 24.14 C ATOM 1559 CD2 LEU A 99 -6.878 7.503 -3.940 1.00 72.55 C ATOM 0 H LEU A 99 -8.447 7.413 -0.654 1.00 71.02 H new ATOM 0 HA LEU A 99 -7.056 9.530 -1.982 1.00 44.40 H new ATOM 0 HB2 LEU A 99 -9.875 8.432 -2.390 1.00 13.23 H new ATOM 0 HB3 LEU A 99 -8.958 9.373 -3.551 1.00 13.23 H new ATOM 0 HG LEU A 99 -8.235 6.573 -2.586 1.00 25.00 H new ATOM 0 HD11 LEU A 99 -8.855 5.835 -4.869 1.00 24.14 H new ATOM 0 HD12 LEU A 99 -10.235 6.537 -3.991 1.00 24.14 H new ATOM 0 HD13 LEU A 99 -9.401 7.487 -5.244 1.00 24.14 H new ATOM 0 HD21 LEU A 99 -6.525 6.564 -4.366 1.00 72.55 H new ATOM 0 HD22 LEU A 99 -6.888 8.271 -4.714 1.00 72.55 H new ATOM 0 HD23 LEU A 99 -6.212 7.809 -3.134 1.00 72.55 H new ATOM 1571 N LYS A 100 -9.457 10.374 0.045 1.00 54.11 N ATOM 1572 CA LYS A 100 -10.117 11.480 0.753 1.00 21.12 C ATOM 1573 C LYS A 100 -9.072 12.280 1.565 1.00 53.12 C ATOM 1574 O LYS A 100 -9.027 13.511 1.479 1.00 71.30 O ATOM 1575 CB LYS A 100 -11.263 10.903 1.655 1.00 11.00 C ATOM 1576 CG LYS A 100 -12.167 11.935 2.387 1.00 64.42 C ATOM 1577 CD LYS A 100 -11.630 12.365 3.773 1.00 0.43 C ATOM 1578 CE LYS A 100 -12.526 13.408 4.460 1.00 1.00 C ATOM 1579 NZ LYS A 100 -11.993 13.819 5.791 1.00 4.14 N ATOM 0 H LYS A 100 -9.622 9.464 0.475 1.00 54.11 H new ATOM 0 HA LYS A 100 -10.569 12.172 0.043 1.00 21.12 H new ATOM 0 HB2 LYS A 100 -11.900 10.274 1.033 1.00 11.00 H new ATOM 0 HB3 LYS A 100 -10.811 10.255 2.406 1.00 11.00 H new ATOM 0 HG2 LYS A 100 -12.274 12.820 1.759 1.00 64.42 H new ATOM 0 HG3 LYS A 100 -13.163 11.509 2.510 1.00 64.42 H new ATOM 0 HD2 LYS A 100 -11.545 11.487 4.413 1.00 0.43 H new ATOM 0 HD3 LYS A 100 -10.626 12.774 3.658 1.00 0.43 H new ATOM 0 HE2 LYS A 100 -12.616 14.286 3.820 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -13.529 12.999 4.583 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -12.629 14.523 6.217 1.00 4.14 H new ATOM 0 HZ2 LYS A 100 -11.931 12.987 6.412 1.00 4.14 H new ATOM 0 HZ3 LYS A 100 -11.047 14.234 5.673 1.00 4.14 H new ATOM 1593 N THR A 101 -8.217 11.566 2.338 1.00 14.13 N ATOM 1594 CA THR A 101 -7.177 12.203 3.178 1.00 62.23 C ATOM 1595 C THR A 101 -6.002 12.721 2.318 1.00 31.42 C ATOM 1596 O THR A 101 -5.312 13.675 2.700 1.00 24.32 O ATOM 1597 CB THR A 101 -6.658 11.251 4.314 1.00 3.45 C ATOM 1598 OG1 THR A 101 -5.715 11.938 5.152 1.00 3.51 O ATOM 1599 CG2 THR A 101 -6.000 9.976 3.773 1.00 51.10 C ATOM 0 H THR A 101 -8.229 10.548 2.396 1.00 14.13 H new ATOM 0 HA THR A 101 -7.650 13.056 3.665 1.00 62.23 H new ATOM 0 HB THR A 101 -7.537 10.957 4.888 1.00 3.45 H new ATOM 0 HG1 THR A 101 -5.401 11.333 5.856 1.00 3.51 H new ATOM 0 HG21 THR A 101 -5.662 9.359 4.606 1.00 51.10 H new ATOM 0 HG22 THR A 101 -6.723 9.418 3.178 1.00 51.10 H new ATOM 0 HG23 THR A 101 -5.147 10.243 3.150 1.00 51.10 H new ATOM 1607 N ALA A 102 -5.801 12.097 1.148 1.00 22.50 N ATOM 1608 CA ALA A 102 -4.794 12.526 0.163 1.00 55.15 C ATOM 1609 C ALA A 102 -5.300 13.771 -0.574 1.00 24.10 C ATOM 1610 O ALA A 102 -4.538 14.701 -0.830 1.00 65.42 O ATOM 1611 CB ALA A 102 -4.484 11.397 -0.829 1.00 3.50 C ATOM 0 H ALA A 102 -6.334 11.278 0.856 1.00 22.50 H new ATOM 0 HA ALA A 102 -3.869 12.771 0.685 1.00 55.15 H new ATOM 0 HB1 ALA A 102 -3.738 11.738 -1.547 1.00 3.50 H new ATOM 0 HB2 ALA A 102 -4.099 10.533 -0.288 1.00 3.50 H new ATOM 0 HB3 ALA A 102 -5.395 11.117 -1.358 1.00 3.50 H new ATOM 1617 N GLY A 103 -6.613 13.771 -0.890 1.00 4.40 N ATOM 1618 CA GLY A 103 -7.270 14.893 -1.563 1.00 52.24 C ATOM 1619 C GLY A 103 -7.985 15.809 -0.583 1.00 43.24 C ATOM 1620 O GLY A 103 -9.154 16.158 -0.777 1.00 4.43 O ATOM 0 H GLY A 103 -7.238 12.992 -0.683 1.00 4.40 H new ATOM 0 HA2 GLY A 103 -6.528 15.466 -2.119 1.00 52.24 H new ATOM 0 HA3 GLY A 103 -7.987 14.510 -2.289 1.00 52.24 H new ATOM 1624 N SER A 104 -7.271 16.203 0.486 1.00 5.01 N ATOM 1625 CA SER A 104 -7.787 17.145 1.502 1.00 40.13 C ATOM 1626 C SER A 104 -7.362 18.595 1.183 1.00 71.23 C ATOM 1627 O SER A 104 -7.325 19.453 2.075 1.00 43.40 O ATOM 1628 CB SER A 104 -7.267 16.731 2.901 1.00 5.02 C ATOM 1629 OG SER A 104 -7.699 15.429 3.241 1.00 14.34 O ATOM 0 H SER A 104 -6.322 15.880 0.672 1.00 5.01 H new ATOM 0 HA SER A 104 -8.876 17.106 1.491 1.00 40.13 H new ATOM 0 HB2 SER A 104 -6.178 16.771 2.914 1.00 5.02 H new ATOM 0 HB3 SER A 104 -7.621 17.441 3.648 1.00 5.02 H new ATOM 0 HG SER A 104 -8.142 15.019 2.469 1.00 14.34 H new ATOM 1635 N LEU A 105 -7.080 18.873 -0.109 1.00 35.32 N ATOM 1636 CA LEU A 105 -6.603 20.189 -0.579 1.00 12.50 C ATOM 1637 C LEU A 105 -7.788 21.174 -0.721 1.00 2.33 C ATOM 1638 O LEU A 105 -8.305 21.398 -1.826 1.00 34.51 O ATOM 1639 CB LEU A 105 -5.800 20.056 -1.921 1.00 3.22 C ATOM 1640 CG LEU A 105 -4.421 19.298 -1.859 1.00 55.20 C ATOM 1641 CD1 LEU A 105 -3.512 19.865 -0.748 1.00 12.14 C ATOM 1642 CD2 LEU A 105 -4.593 17.767 -1.718 1.00 12.44 C ATOM 0 H LEU A 105 -7.178 18.187 -0.857 1.00 35.32 H new ATOM 0 HA LEU A 105 -5.918 20.592 0.167 1.00 12.50 H new ATOM 0 HB2 LEU A 105 -6.434 19.546 -2.646 1.00 3.22 H new ATOM 0 HB3 LEU A 105 -5.618 21.059 -2.307 1.00 3.22 H new ATOM 0 HG LEU A 105 -3.928 19.473 -2.815 1.00 55.20 H new ATOM 0 HD11 LEU A 105 -2.569 19.318 -0.735 1.00 12.14 H new ATOM 0 HD12 LEU A 105 -3.317 20.920 -0.941 1.00 12.14 H new ATOM 0 HD13 LEU A 105 -4.007 19.758 0.217 1.00 12.14 H new ATOM 0 HD21 LEU A 105 -3.612 17.293 -1.680 1.00 12.44 H new ATOM 0 HD22 LEU A 105 -5.139 17.545 -0.801 1.00 12.44 H new ATOM 0 HD23 LEU A 105 -5.149 17.383 -2.573 1.00 12.44 H new ATOM 1654 N GLU A 106 -8.243 21.672 0.448 1.00 21.43 N ATOM 1655 CA GLU A 106 -9.299 22.701 0.586 1.00 73.41 C ATOM 1656 C GLU A 106 -10.663 22.252 -0.018 1.00 61.33 C ATOM 1657 O GLU A 106 -11.548 23.079 -0.263 1.00 55.12 O ATOM 1658 CB GLU A 106 -8.793 24.074 0.022 1.00 32.13 C ATOM 1659 CG GLU A 106 -9.613 25.314 0.463 1.00 21.24 C ATOM 1660 CD GLU A 106 -8.902 26.642 0.161 1.00 22.55 C ATOM 1661 OE1 GLU A 106 -8.915 27.078 -1.005 1.00 71.54 O ATOM 1662 OE2 GLU A 106 -8.308 27.242 1.087 1.00 35.12 O ATOM 0 H GLU A 106 -7.877 21.362 1.348 1.00 21.43 H new ATOM 0 HA GLU A 106 -9.501 22.837 1.648 1.00 73.41 H new ATOM 0 HB2 GLU A 106 -7.757 24.215 0.331 1.00 32.13 H new ATOM 0 HB3 GLU A 106 -8.797 24.025 -1.067 1.00 32.13 H new ATOM 0 HG2 GLU A 106 -10.579 25.302 -0.042 1.00 21.24 H new ATOM 0 HG3 GLU A 106 -9.812 25.250 1.533 1.00 21.24 H new ATOM 1669 N HIS A 107 -10.842 20.927 -0.225 1.00 64.03 N ATOM 1670 CA HIS A 107 -12.103 20.356 -0.754 1.00 72.05 C ATOM 1671 C HIS A 107 -13.158 20.302 0.377 1.00 0.44 C ATOM 1672 O HIS A 107 -13.475 19.236 0.914 1.00 25.24 O ATOM 1673 CB HIS A 107 -11.869 18.944 -1.384 1.00 31.22 C ATOM 1674 CG HIS A 107 -10.904 18.902 -2.549 1.00 21.05 C ATOM 1675 ND1 HIS A 107 -10.181 17.772 -2.885 1.00 14.51 N ATOM 1676 CD2 HIS A 107 -10.575 19.835 -3.480 1.00 61.14 C ATOM 1677 CE1 HIS A 107 -9.450 18.015 -3.951 1.00 44.34 C ATOM 1678 NE2 HIS A 107 -9.671 19.253 -4.332 1.00 13.02 N ATOM 0 H HIS A 107 -10.124 20.229 -0.032 1.00 64.03 H new ATOM 0 HA HIS A 107 -12.474 20.999 -1.552 1.00 72.05 H new ATOM 0 HB2 HIS A 107 -11.501 18.275 -0.606 1.00 31.22 H new ATOM 0 HB3 HIS A 107 -12.829 18.550 -1.716 1.00 31.22 H new ATOM 0 HD1 HIS A 107 -10.210 16.885 -2.382 1.00 14.51 H new ATOM 0 HD2 HIS A 107 -10.954 20.845 -3.538 1.00 61.14 H new ATOM 0 HE1 HIS A 107 -8.782 17.316 -4.432 1.00 44.34 H new ATOM 1687 N HIS A 108 -13.668 21.491 0.753 1.00 11.21 N ATOM 1688 CA HIS A 108 -14.611 21.662 1.867 1.00 34.12 C ATOM 1689 C HIS A 108 -16.057 21.591 1.328 1.00 42.34 C ATOM 1690 O HIS A 108 -16.765 22.599 1.222 1.00 74.44 O ATOM 1691 CB HIS A 108 -14.319 23.003 2.603 1.00 33.30 C ATOM 1692 CG HIS A 108 -15.217 23.276 3.787 1.00 63.01 C ATOM 1693 ND1 HIS A 108 -16.104 24.330 3.840 1.00 62.23 N ATOM 1694 CD2 HIS A 108 -15.355 22.622 4.963 1.00 74.24 C ATOM 1695 CE1 HIS A 108 -16.743 24.304 4.990 1.00 72.44 C ATOM 1696 NE2 HIS A 108 -16.309 23.282 5.691 1.00 11.54 N ATOM 0 H HIS A 108 -13.432 22.366 0.285 1.00 11.21 H new ATOM 0 HA HIS A 108 -14.488 20.860 2.595 1.00 34.12 H new ATOM 0 HB2 HIS A 108 -13.283 22.999 2.942 1.00 33.30 H new ATOM 0 HB3 HIS A 108 -14.418 23.823 1.891 1.00 33.30 H new ATOM 0 HD2 HIS A 108 -14.812 21.741 5.271 1.00 74.24 H new ATOM 0 HE1 HIS A 108 -17.500 25.007 5.305 1.00 72.44 H new ATOM 0 HE2 HIS A 108 -16.630 23.022 6.624 1.00 11.54 H new ATOM 1705 N HIS A 109 -16.449 20.382 0.907 1.00 72.13 N ATOM 1706 CA HIS A 109 -17.810 20.068 0.431 1.00 2.31 C ATOM 1707 C HIS A 109 -18.240 18.723 1.025 1.00 50.33 C ATOM 1708 O HIS A 109 -17.550 17.710 0.837 1.00 35.24 O ATOM 1709 CB HIS A 109 -17.873 20.023 -1.124 1.00 50.43 C ATOM 1710 CG HIS A 109 -17.884 21.372 -1.798 1.00 10.42 C ATOM 1711 ND1 HIS A 109 -19.034 21.960 -2.274 1.00 2.13 N ATOM 1712 CD2 HIS A 109 -16.883 22.241 -2.087 1.00 22.12 C ATOM 1713 CE1 HIS A 109 -18.743 23.120 -2.827 1.00 52.32 C ATOM 1714 NE2 HIS A 109 -17.447 23.317 -2.724 1.00 41.41 N ATOM 0 H HIS A 109 -15.822 19.578 0.886 1.00 72.13 H new ATOM 0 HA HIS A 109 -18.491 20.854 0.758 1.00 2.31 H new ATOM 0 HB2 HIS A 109 -17.018 19.456 -1.492 1.00 50.43 H new ATOM 0 HB3 HIS A 109 -18.768 19.477 -1.421 1.00 50.43 H new ATOM 0 HD2 HIS A 109 -15.836 22.110 -1.858 1.00 22.12 H new ATOM 0 HE1 HIS A 109 -19.450 23.795 -3.287 1.00 52.32 H new ATOM 0 HE2 HIS A 109 -16.943 24.137 -3.063 1.00 41.41 H new ATOM 1723 N HIS A 110 -19.371 18.743 1.758 1.00 31.31 N ATOM 1724 CA HIS A 110 -19.983 17.537 2.357 1.00 1.30 C ATOM 1725 C HIS A 110 -20.335 16.524 1.251 1.00 33.25 C ATOM 1726 O HIS A 110 -20.145 15.316 1.415 1.00 41.12 O ATOM 1727 CB HIS A 110 -21.241 17.937 3.176 1.00 53.14 C ATOM 1728 CG HIS A 110 -21.864 16.823 3.987 1.00 70.43 C ATOM 1729 ND1 HIS A 110 -21.536 16.586 5.306 1.00 4.11 N ATOM 1730 CD2 HIS A 110 -22.817 15.905 3.677 1.00 31.13 C ATOM 1731 CE1 HIS A 110 -22.256 15.582 5.768 1.00 52.53 C ATOM 1732 NE2 HIS A 110 -23.039 15.150 4.800 1.00 62.43 N ATOM 0 H HIS A 110 -19.889 19.600 1.953 1.00 31.31 H new ATOM 0 HA HIS A 110 -19.272 17.064 3.035 1.00 1.30 H new ATOM 0 HB2 HIS A 110 -20.972 18.749 3.851 1.00 53.14 H new ATOM 0 HB3 HIS A 110 -21.992 18.329 2.490 1.00 53.14 H new ATOM 0 HD2 HIS A 110 -23.309 15.791 2.722 1.00 31.13 H new ATOM 0 HE1 HIS A 110 -22.211 15.182 6.770 1.00 52.53 H new ATOM 0 HE2 HIS A 110 -23.703 14.379 4.874 1.00 62.43 H new ATOM 1741 N HIS A 111 -20.849 17.043 0.130 1.00 63.12 N ATOM 1742 CA HIS A 111 -21.072 16.269 -1.098 1.00 74.43 C ATOM 1743 C HIS A 111 -20.153 16.844 -2.190 1.00 62.43 C ATOM 1744 O HIS A 111 -20.551 17.737 -2.950 1.00 5.13 O ATOM 1745 CB HIS A 111 -22.568 16.331 -1.507 1.00 20.54 C ATOM 1746 CG HIS A 111 -22.959 15.341 -2.573 1.00 73.30 C ATOM 1747 ND1 HIS A 111 -23.451 14.087 -2.276 1.00 54.03 N ATOM 1748 CD2 HIS A 111 -22.967 15.427 -3.927 1.00 5.34 C ATOM 1749 CE1 HIS A 111 -23.732 13.448 -3.391 1.00 50.35 C ATOM 1750 NE2 HIS A 111 -23.453 14.237 -4.408 1.00 30.42 N ATOM 0 H HIS A 111 -21.125 18.022 0.048 1.00 63.12 H new ATOM 0 HA HIS A 111 -20.832 15.217 -0.945 1.00 74.43 H new ATOM 0 HB2 HIS A 111 -23.182 16.158 -0.623 1.00 20.54 H new ATOM 0 HB3 HIS A 111 -22.795 17.337 -1.860 1.00 20.54 H new ATOM 0 HD2 HIS A 111 -22.650 16.274 -4.517 1.00 5.34 H new ATOM 0 HE1 HIS A 111 -24.125 12.445 -3.461 1.00 50.35 H new ATOM 0 HE2 HIS A 111 -23.578 14.002 -5.393 1.00 30.42 H new ATOM 1759 N HIS A 112 -18.893 16.383 -2.188 1.00 32.34 N ATOM 1760 CA HIS A 112 -17.857 16.844 -3.132 1.00 11.24 C ATOM 1761 C HIS A 112 -18.195 16.447 -4.597 1.00 40.22 C ATOM 1762 O HIS A 112 -18.539 15.271 -4.851 1.00 71.43 O ATOM 1763 CB HIS A 112 -16.453 16.322 -2.720 1.00 44.54 C ATOM 1764 CG HIS A 112 -16.295 14.818 -2.748 1.00 74.53 C ATOM 1765 ND1 HIS A 112 -15.593 14.147 -3.735 1.00 44.34 N ATOM 1766 CD2 HIS A 112 -16.762 13.852 -1.917 1.00 3.32 C ATOM 1767 CE1 HIS A 112 -15.642 12.850 -3.504 1.00 71.14 C ATOM 1768 NE2 HIS A 112 -16.347 12.644 -2.411 1.00 11.33 N ATOM 1769 OXT HIS A 112 -18.110 17.315 -5.485 1.00 38.06 O ATOM 0 H HIS A 112 -18.560 15.678 -1.531 1.00 32.34 H new ATOM 0 HA HIS A 112 -17.838 17.933 -3.087 1.00 11.24 H new ATOM 0 HB2 HIS A 112 -15.709 16.763 -3.384 1.00 44.54 H new ATOM 0 HB3 HIS A 112 -16.231 16.677 -1.713 1.00 44.54 H new ATOM 0 HD2 HIS A 112 -17.354 14.008 -1.027 1.00 3.32 H new ATOM 0 HE1 HIS A 112 -15.181 12.084 -4.110 1.00 71.14 H new ATOM 0 HE2 HIS A 112 -16.551 11.733 -1.999 1.00 11.33 H new TER 1778 HIS A 112