USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 933 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 126:sc= -0.0787 (180deg=-0.469) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0138) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= -0.101 (180deg=-0.186) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -179:sc= -0.257 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.477 K(o=-0.48,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.724 X(o=-0.72,f=-0.72) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -50:sc= 1.22 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.7) USER MOD Single : A 84 HIS : no HD1:sc= -0.37 K(o=-0.37,f=-1.5) USER MOD Single : A 87 TYR OH : rot 150:sc= -1.91! USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 93:sc= -0.613 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 109 THR OG1 : rot 80:sc= 1.29 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.779 X(o=-0.78,f=-0.81) USER MOD Single : A 115 THR OG1 : rot 101:sc= 1.28 USER MOD Single : A 116 GLN : amide:sc= -0.0254 X(o=-0.025,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -2.170 -3.553 -4.662 1.00 74.53 N ATOM 41 CA GLU A 4 -3.172 -3.589 -5.722 1.00 44.43 C ATOM 42 C GLU A 4 -3.868 -4.946 -5.766 1.00 72.00 C ATOM 43 O GLU A 4 -5.037 -5.045 -6.144 1.00 41.22 O ATOM 44 CB GLU A 4 -2.524 -3.292 -7.076 1.00 55.41 C ATOM 45 CG GLU A 4 -3.454 -3.514 -8.257 1.00 51.52 C ATOM 46 CD GLU A 4 -4.701 -2.654 -8.189 1.00 0.52 C ATOM 47 OE1 GLU A 4 -4.611 -1.519 -7.677 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -5.766 -3.117 -8.647 1.00 44.14 O ATOM 0 HA GLU A 4 -3.918 -2.824 -5.508 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -2.179 -2.258 -7.085 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -1.643 -3.923 -7.194 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -2.919 -3.298 -9.182 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -3.743 -4.564 -8.294 1.00 51.52 H new ATOM 55 N LEU A 5 -3.143 -5.989 -5.378 1.00 43.24 N ATOM 56 CA LEU A 5 -3.690 -7.341 -5.373 1.00 13.32 C ATOM 57 C LEU A 5 -4.987 -7.401 -4.573 1.00 63.44 C ATOM 58 O LEU A 5 -5.906 -8.148 -4.914 1.00 51.25 O ATOM 59 CB LEU A 5 -2.672 -8.322 -4.788 1.00 63.32 C ATOM 60 CG LEU A 5 -2.489 -8.275 -3.271 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.731 -9.501 -2.786 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.763 -7.002 -2.861 1.00 74.41 C ATOM 0 H LEU A 5 -2.175 -5.925 -5.063 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.907 -7.622 -6.404 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.970 -9.333 -5.067 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.706 -8.134 -5.256 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.475 -8.275 -2.806 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.610 -9.450 -1.704 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.289 -10.400 -3.047 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.750 -9.533 -3.259 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.641 -6.985 -1.778 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.783 -6.973 -3.337 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.344 -6.135 -3.174 1.00 74.41 H new ATOM 74 N LEU A 6 -5.057 -6.609 -3.509 1.00 10.52 N ATOM 75 CA LEU A 6 -6.245 -6.569 -2.661 1.00 13.21 C ATOM 76 C LEU A 6 -7.446 -6.030 -3.431 1.00 51.12 C ATOM 77 O LEU A 6 -8.538 -6.594 -3.371 1.00 73.12 O ATOM 78 CB LEU A 6 -5.984 -5.704 -1.427 1.00 44.03 C ATOM 79 CG LEU A 6 -4.780 -6.099 -0.572 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.532 -5.061 0.512 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.990 -7.475 0.043 1.00 22.10 C ATOM 0 H LEU A 6 -4.306 -5.986 -3.212 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.470 -7.587 -2.343 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.850 -4.673 -1.753 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.874 -5.726 -0.798 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.901 -6.141 -1.215 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.671 -5.359 1.111 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.336 -4.093 0.051 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.411 -4.986 1.152 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -4.123 -7.739 0.648 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.880 -7.461 0.672 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -5.118 -8.212 -0.750 1.00 22.10 H new ATOM 93 N ASP A 7 -7.235 -4.936 -4.155 1.00 4.52 N ATOM 94 CA ASP A 7 -8.299 -4.322 -4.940 1.00 25.12 C ATOM 95 C ASP A 7 -8.663 -5.193 -6.139 1.00 33.21 C ATOM 96 O ASP A 7 -9.802 -5.179 -6.606 1.00 24.02 O ATOM 97 CB ASP A 7 -7.876 -2.931 -5.414 1.00 34.32 C ATOM 98 CG ASP A 7 -9.058 -2.004 -5.621 1.00 10.52 C ATOM 99 OD1 ASP A 7 -10.197 -2.419 -5.322 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -8.843 -0.864 -6.082 1.00 34.22 O ATOM 0 H ASP A 7 -6.337 -4.456 -4.214 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.178 -4.228 -4.302 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.198 -2.492 -4.682 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.322 -3.022 -6.348 1.00 34.32 H new ATOM 105 N ALA A 8 -7.687 -5.949 -6.631 1.00 74.43 N ATOM 106 CA ALA A 8 -7.905 -6.827 -7.775 1.00 44.45 C ATOM 107 C ALA A 8 -9.071 -7.777 -7.523 1.00 72.11 C ATOM 108 O ALA A 8 -9.986 -7.882 -8.340 1.00 71.43 O ATOM 109 CB ALA A 8 -6.639 -7.611 -8.086 1.00 72.11 C ATOM 0 H ALA A 8 -6.739 -5.971 -6.256 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.156 -6.207 -8.636 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.815 -8.262 -8.942 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -5.830 -6.918 -8.318 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.363 -8.215 -7.221 1.00 72.11 H new ATOM 115 N LEU A 9 -9.030 -8.468 -6.389 1.00 65.10 N ATOM 116 CA LEU A 9 -10.084 -9.411 -6.031 1.00 30.43 C ATOM 117 C LEU A 9 -11.450 -8.734 -6.051 1.00 2.51 C ATOM 118 O LEU A 9 -12.409 -9.264 -6.614 1.00 14.11 O ATOM 119 CB LEU A 9 -9.815 -10.002 -4.646 1.00 54.45 C ATOM 120 CG LEU A 9 -8.406 -10.545 -4.409 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.894 -10.124 -3.040 1.00 21.41 C ATOM 122 CD2 LEU A 9 -8.388 -12.062 -4.542 1.00 32.24 C ATOM 0 H LEU A 9 -8.279 -8.393 -5.702 1.00 65.10 H new ATOM 0 HA LEU A 9 -10.087 -10.214 -6.768 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -10.016 -9.233 -3.900 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -10.527 -10.809 -4.473 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.745 -10.125 -5.167 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.890 -10.520 -2.890 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.868 -9.036 -2.980 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -8.557 -10.514 -2.268 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -7.377 -12.430 -4.370 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -9.064 -12.500 -3.807 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -8.711 -12.343 -5.544 1.00 32.24 H new ATOM 134 N THR A 10 -11.533 -7.560 -5.434 1.00 42.42 N ATOM 135 CA THR A 10 -12.782 -6.810 -5.383 1.00 45.22 C ATOM 136 C THR A 10 -13.346 -6.584 -6.780 1.00 33.22 C ATOM 137 O THR A 10 -14.549 -6.719 -7.005 1.00 71.53 O ATOM 138 CB THR A 10 -12.591 -5.447 -4.691 1.00 10.42 C ATOM 139 OG1 THR A 10 -12.133 -5.640 -3.348 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.892 -4.659 -4.680 1.00 62.04 C ATOM 0 H THR A 10 -10.750 -7.108 -4.962 1.00 42.42 H new ATOM 0 HA THR A 10 -13.486 -7.408 -4.804 1.00 45.22 H new ATOM 0 HB THR A 10 -11.847 -4.881 -5.251 1.00 10.42 H new ATOM 0 HG1 THR A 10 -12.012 -4.769 -2.915 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.733 -3.700 -4.186 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.223 -4.489 -5.704 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.654 -5.222 -4.141 1.00 62.04 H new ATOM 148 N ILE A 11 -12.469 -6.238 -7.717 1.00 32.10 N ATOM 149 CA ILE A 11 -12.880 -5.994 -9.094 1.00 21.23 C ATOM 150 C ILE A 11 -13.580 -7.214 -9.683 1.00 62.33 C ATOM 151 O ILE A 11 -14.501 -7.086 -10.491 1.00 65.32 O ATOM 152 CB ILE A 11 -11.678 -5.626 -9.984 1.00 71.24 C ATOM 153 CG1 ILE A 11 -10.992 -4.364 -9.456 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.126 -5.429 -11.425 1.00 64.41 C ATOM 155 CD1 ILE A 11 -9.511 -4.308 -9.763 1.00 14.01 C ATOM 0 H ILE A 11 -11.470 -6.120 -7.548 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.575 -5.155 -9.072 1.00 21.23 H new ATOM 0 HB ILE A 11 -10.960 -6.446 -9.956 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -11.478 -3.489 -9.887 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.134 -4.308 -8.377 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -11.265 -5.169 -12.041 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -12.573 -6.351 -11.796 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -12.861 -4.625 -11.471 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.090 -3.387 -9.359 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.013 -5.164 -9.309 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -9.362 -4.332 -10.842 1.00 14.01 H new ATOM 167 N LEU A 12 -13.137 -8.398 -9.274 1.00 75.15 N ATOM 168 CA LEU A 12 -13.722 -9.643 -9.759 1.00 35.45 C ATOM 169 C LEU A 12 -15.117 -9.853 -9.178 1.00 52.41 C ATOM 170 O LEU A 12 -15.959 -10.514 -9.785 1.00 23.30 O ATOM 171 CB LEU A 12 -12.823 -10.827 -9.398 1.00 52.11 C ATOM 172 CG LEU A 12 -11.329 -10.640 -9.662 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.566 -11.917 -9.342 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.090 -10.219 -11.104 1.00 60.44 C ATOM 0 H LEU A 12 -12.375 -8.522 -8.608 1.00 75.15 H new ATOM 0 HA LEU A 12 -13.807 -9.577 -10.844 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.959 -11.052 -8.340 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -13.164 -11.699 -9.956 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.961 -9.849 -9.009 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.504 -11.765 -9.536 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.710 -12.174 -8.292 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.936 -12.729 -9.968 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.021 -10.091 -11.273 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.474 -10.987 -11.776 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.604 -9.277 -11.298 1.00 60.44 H new ATOM 186 N GLU A 13 -15.353 -9.283 -8.001 1.00 2.20 N ATOM 187 CA GLU A 13 -16.647 -9.407 -7.339 1.00 73.44 C ATOM 188 C GLU A 13 -17.769 -8.892 -8.237 1.00 24.32 C ATOM 189 O GLU A 13 -18.911 -9.342 -8.144 1.00 32.15 O ATOM 190 CB GLU A 13 -16.643 -8.638 -6.016 1.00 53.14 C ATOM 191 CG GLU A 13 -15.518 -9.043 -5.079 1.00 32.32 C ATOM 192 CD GLU A 13 -15.774 -10.376 -4.403 1.00 22.03 C ATOM 193 OE1 GLU A 13 -16.530 -10.400 -3.408 1.00 34.44 O1- ATOM 194 OE2 GLU A 13 -15.220 -11.394 -4.866 1.00 5.24 O ATOM 0 H GLU A 13 -14.666 -8.731 -7.486 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.824 -10.463 -7.136 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -16.563 -7.571 -6.226 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -17.597 -8.793 -5.513 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -14.585 -9.097 -5.640 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -15.388 -8.273 -4.318 1.00 32.32 H new ATOM 201 N LYS A 14 -17.434 -7.944 -9.106 1.00 41.41 N ATOM 202 CA LYS A 14 -18.411 -7.366 -10.022 1.00 53.15 C ATOM 203 C LYS A 14 -19.147 -8.458 -10.792 1.00 32.03 C ATOM 204 O LYS A 14 -20.307 -8.291 -11.165 1.00 33.02 O ATOM 205 CB LYS A 14 -17.722 -6.413 -11.001 1.00 52.04 C ATOM 206 CG LYS A 14 -17.495 -5.021 -10.435 1.00 23.23 C ATOM 207 CD LYS A 14 -16.319 -4.331 -11.109 1.00 74.34 C ATOM 208 CE LYS A 14 -16.707 -3.772 -12.469 1.00 0.54 C ATOM 209 NZ LYS A 14 -17.724 -2.690 -12.356 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.493 -7.560 -9.195 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.138 -6.808 -9.433 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -16.762 -6.838 -11.294 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -18.326 -6.335 -11.905 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -18.395 -4.421 -10.568 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -17.313 -5.088 -9.362 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -15.956 -3.524 -10.473 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -15.498 -5.039 -11.226 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -15.819 -3.385 -12.969 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -17.099 -4.575 -13.093 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -17.382 -1.839 -12.847 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -18.615 -3.005 -12.790 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -17.886 -2.469 -11.353 1.00 44.11 H new ATOM 223 N GLU A 15 -18.463 -9.574 -11.026 1.00 31.13 N ATOM 224 CA GLU A 15 -19.054 -10.693 -11.752 1.00 10.21 C ATOM 225 C GLU A 15 -19.529 -11.777 -10.788 1.00 74.31 C ATOM 226 O GLU A 15 -18.802 -12.174 -9.877 1.00 23.34 O ATOM 227 CB GLU A 15 -18.043 -11.279 -12.739 1.00 45.25 C ATOM 228 CG GLU A 15 -18.529 -12.541 -13.430 1.00 55.15 C ATOM 229 CD GLU A 15 -19.925 -12.390 -14.006 1.00 24.20 C ATOM 230 OE1 GLU A 15 -20.204 -11.336 -14.614 1.00 1.53 O ATOM 231 OE2 GLU A 15 -20.736 -13.325 -13.848 1.00 50.25 O1- ATOM 0 H GLU A 15 -17.501 -9.727 -10.724 1.00 31.13 H new ATOM 0 HA GLU A 15 -19.916 -10.320 -12.305 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -17.808 -10.529 -13.494 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -17.116 -11.499 -12.209 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -17.836 -12.803 -14.230 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -18.521 -13.367 -12.718 1.00 55.15 H new ATOM 238 N LYS A 16 -20.752 -12.250 -10.996 1.00 54.02 N ATOM 239 CA LYS A 16 -21.326 -13.288 -10.148 1.00 15.32 C ATOM 240 C LYS A 16 -20.903 -14.675 -10.624 1.00 60.10 C ATOM 241 O LYS A 16 -20.163 -14.808 -11.598 1.00 20.10 O ATOM 242 CB LYS A 16 -22.852 -13.184 -10.140 1.00 20.41 C ATOM 243 CG LYS A 16 -23.422 -12.703 -8.817 1.00 32.52 C ATOM 244 CD LYS A 16 -22.865 -11.343 -8.431 1.00 20.11 C ATOM 245 CE LYS A 16 -23.660 -10.717 -7.296 1.00 73.12 C ATOM 246 NZ LYS A 16 -24.957 -10.159 -7.769 1.00 30.23 N1+ ATOM 0 H LYS A 16 -21.366 -11.931 -11.745 1.00 54.02 H new ATOM 0 HA LYS A 16 -20.953 -13.141 -9.134 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.165 -12.502 -10.930 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.276 -14.160 -10.375 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -24.508 -12.646 -8.887 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -23.191 -13.427 -8.036 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -21.822 -11.447 -8.132 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -22.883 -10.682 -9.297 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -23.846 -11.466 -6.527 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -23.071 -9.925 -6.834 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -25.422 -9.653 -6.989 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -24.785 -9.500 -8.555 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -25.570 -10.934 -8.094 1.00 30.23 H new ATOM 260 N GLY A 17 -21.380 -15.704 -9.930 1.00 53.14 N ATOM 261 CA GLY A 17 -21.042 -17.067 -10.299 1.00 1.24 C ATOM 262 C GLY A 17 -19.579 -17.386 -10.059 1.00 24.31 C ATOM 263 O GLY A 17 -19.032 -18.309 -10.662 1.00 30.33 O ATOM 0 H GLY A 17 -21.994 -15.619 -9.120 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -21.660 -17.759 -9.727 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -21.277 -17.224 -11.352 1.00 1.24 H new ATOM 267 N ILE A 18 -18.944 -16.620 -9.178 1.00 51.44 N ATOM 268 CA ILE A 18 -17.537 -16.826 -8.860 1.00 32.50 C ATOM 269 C ILE A 18 -17.237 -16.441 -7.417 1.00 3.32 C ATOM 270 O ILE A 18 -18.020 -15.742 -6.773 1.00 25.41 O ATOM 271 CB ILE A 18 -16.624 -16.013 -9.798 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.111 -14.565 -9.889 1.00 2.33 C ATOM 273 CG2 ILE A 18 -16.580 -16.650 -11.179 1.00 34.32 C ATOM 274 CD1 ILE A 18 -16.259 -13.698 -10.789 1.00 3.12 C ATOM 0 H ILE A 18 -19.382 -15.851 -8.672 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.334 -17.888 -8.999 1.00 32.50 H new ATOM 0 HB ILE A 18 -15.614 -16.013 -9.388 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -18.137 -14.557 -10.256 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -17.127 -14.132 -8.889 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.931 -16.064 -11.830 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -16.192 -17.666 -11.099 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -17.585 -16.678 -11.599 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -16.662 -12.685 -10.806 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -15.237 -13.675 -10.411 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -16.263 -14.108 -11.799 1.00 3.12 H new ATOM 286 N SER A 19 -16.095 -16.900 -6.913 1.00 72.20 N ATOM 287 CA SER A 19 -15.691 -16.605 -5.543 1.00 5.03 C ATOM 288 C SER A 19 -14.224 -16.192 -5.486 1.00 10.11 C ATOM 289 O SER A 19 -13.339 -16.939 -5.904 1.00 55.41 O ATOM 290 CB SER A 19 -15.924 -17.823 -4.647 1.00 70.31 C ATOM 291 OG SER A 19 -16.850 -18.721 -5.236 1.00 12.11 O ATOM 0 H SER A 19 -15.434 -17.477 -7.433 1.00 72.20 H new ATOM 0 HA SER A 19 -16.299 -15.775 -5.182 1.00 5.03 H new ATOM 0 HB2 SER A 19 -14.978 -18.335 -4.471 1.00 70.31 H new ATOM 0 HB3 SER A 19 -16.296 -17.498 -3.675 1.00 70.31 H new ATOM 0 HG SER A 19 -16.980 -19.491 -4.644 1.00 12.11 H new ATOM 297 N LYS A 20 -13.973 -14.994 -4.967 1.00 21.45 N ATOM 298 CA LYS A 20 -12.614 -14.478 -4.853 1.00 74.43 C ATOM 299 C LYS A 20 -11.768 -15.370 -3.949 1.00 44.01 C ATOM 300 O LYS A 20 -10.539 -15.357 -4.024 1.00 62.25 O ATOM 301 CB LYS A 20 -12.633 -13.050 -4.306 1.00 25.14 C ATOM 302 CG LYS A 20 -13.333 -12.921 -2.964 1.00 31.04 C ATOM 303 CD LYS A 20 -12.668 -11.875 -2.086 1.00 45.33 C ATOM 304 CE LYS A 20 -13.035 -10.465 -2.521 1.00 73.32 C ATOM 305 NZ LYS A 20 -14.240 -9.961 -1.807 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.694 -14.362 -4.619 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.169 -14.473 -5.848 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.607 -12.694 -4.207 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -13.127 -12.400 -5.028 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -14.378 -12.654 -3.122 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -13.324 -13.884 -2.454 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.967 -12.026 -1.049 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.586 -11.999 -2.127 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -12.195 -9.796 -2.332 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -13.218 -10.452 -3.596 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -14.350 -8.943 -1.987 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -15.083 -10.466 -2.149 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -14.131 -10.122 -0.785 1.00 24.23 H new ATOM 319 N GLU A 21 -12.433 -16.142 -3.097 1.00 64.52 N ATOM 320 CA GLU A 21 -11.741 -17.039 -2.179 1.00 11.33 C ATOM 321 C GLU A 21 -10.783 -17.956 -2.935 1.00 34.03 C ATOM 322 O GLU A 21 -9.701 -18.280 -2.445 1.00 42.53 O ATOM 323 CB GLU A 21 -12.750 -17.877 -1.390 1.00 34.13 C ATOM 324 CG GLU A 21 -13.590 -17.063 -0.421 1.00 74.01 C ATOM 325 CD GLU A 21 -14.601 -17.909 0.328 1.00 20.11 C ATOM 326 OE1 GLU A 21 -15.010 -18.959 -0.211 1.00 12.41 O ATOM 327 OE2 GLU A 21 -14.982 -17.521 1.453 1.00 42.41 O1- ATOM 0 H GLU A 21 -13.450 -16.165 -3.023 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.163 -16.430 -1.483 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -13.411 -18.389 -2.090 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -12.215 -18.648 -0.835 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -12.934 -16.568 0.295 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -14.113 -16.279 -0.969 1.00 74.01 H new ATOM 334 N ILE A 22 -11.189 -18.371 -4.130 1.00 11.12 N ATOM 335 CA ILE A 22 -10.368 -19.251 -4.953 1.00 52.11 C ATOM 336 C ILE A 22 -9.254 -18.472 -5.646 1.00 5.14 C ATOM 337 O ILE A 22 -8.216 -19.034 -5.994 1.00 62.02 O ATOM 338 CB ILE A 22 -11.212 -19.976 -6.017 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.321 -20.793 -5.351 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.329 -20.872 -6.873 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.684 -20.581 -5.971 1.00 40.42 C ATOM 0 H ILE A 22 -12.082 -18.112 -4.550 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.929 -19.991 -4.284 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.674 -19.229 -6.663 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.066 -21.851 -5.408 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -12.368 -20.533 -4.294 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.940 -21.378 -7.621 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.572 -20.267 -7.372 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.842 -21.614 -6.240 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.420 -21.191 -5.448 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.961 -19.530 -5.890 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.654 -20.869 -7.022 1.00 40.42 H new ATOM 353 N ILE A 23 -9.479 -17.177 -5.843 1.00 13.43 N ATOM 354 CA ILE A 23 -8.494 -16.322 -6.492 1.00 72.34 C ATOM 355 C ILE A 23 -7.222 -16.218 -5.658 1.00 55.40 C ATOM 356 O ILE A 23 -6.112 -16.312 -6.186 1.00 31.34 O ATOM 357 CB ILE A 23 -9.051 -14.906 -6.736 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.322 -14.974 -7.585 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.003 -14.034 -7.409 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.085 -15.494 -8.986 1.00 34.01 C ATOM 0 H ILE A 23 -10.335 -16.698 -5.562 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.260 -16.782 -7.452 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.303 -14.459 -5.774 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.049 -15.615 -7.086 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.763 -13.979 -7.645 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.411 -13.037 -7.575 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.123 -13.964 -6.770 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.723 -14.475 -8.366 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.029 -15.515 -9.531 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.382 -14.840 -9.503 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.673 -16.502 -8.935 1.00 34.01 H new ATOM 372 N ILE A 24 -7.389 -16.026 -4.354 1.00 51.31 N ATOM 373 CA ILE A 24 -6.253 -15.914 -3.448 1.00 74.21 C ATOM 374 C ILE A 24 -5.303 -17.096 -3.606 1.00 44.54 C ATOM 375 O ILE A 24 -4.084 -16.936 -3.551 1.00 32.23 O ATOM 376 CB ILE A 24 -6.712 -15.831 -1.979 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.608 -14.609 -1.769 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.508 -15.779 -1.051 1.00 1.24 C ATOM 379 CD1 ILE A 24 -9.037 -14.960 -1.424 1.00 31.23 C ATOM 0 H ILE A 24 -8.300 -15.945 -3.902 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.730 -14.994 -3.710 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.290 -16.725 -1.743 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -7.190 -13.995 -0.971 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.600 -14.003 -2.675 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.848 -15.721 -0.017 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.906 -16.678 -1.185 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.906 -14.901 -1.285 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.614 -14.045 -1.289 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.472 -15.548 -2.232 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -9.057 -15.540 -0.502 1.00 31.23 H new ATOM 391 N GLU A 25 -5.871 -18.282 -3.806 1.00 72.53 N ATOM 392 CA GLU A 25 -5.073 -19.490 -3.974 1.00 43.13 C ATOM 393 C GLU A 25 -4.334 -19.474 -5.309 1.00 2.50 C ATOM 394 O GLU A 25 -3.261 -20.063 -5.445 1.00 34.42 O ATOM 395 CB GLU A 25 -5.963 -20.732 -3.888 1.00 73.04 C ATOM 396 CG GLU A 25 -6.811 -20.787 -2.627 1.00 44.41 C ATOM 397 CD GLU A 25 -7.467 -22.138 -2.424 1.00 73.01 C ATOM 398 OE1 GLU A 25 -6.744 -23.112 -2.131 1.00 21.12 O1- ATOM 399 OE2 GLU A 25 -8.707 -22.221 -2.559 1.00 32.20 O ATOM 0 H GLU A 25 -6.879 -18.431 -3.855 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.337 -19.522 -3.171 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.619 -20.760 -4.758 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.336 -21.622 -3.933 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -6.187 -20.557 -1.764 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.581 -20.017 -2.678 1.00 44.41 H new ATOM 406 N ALA A 26 -4.916 -18.795 -6.292 1.00 1.41 N ATOM 407 CA ALA A 26 -4.313 -18.699 -7.616 1.00 44.13 C ATOM 408 C ALA A 26 -2.968 -17.983 -7.556 1.00 13.13 C ATOM 409 O ALA A 26 -1.961 -18.491 -8.050 1.00 24.00 O ATOM 410 CB ALA A 26 -5.253 -17.982 -8.573 1.00 14.40 C ATOM 0 H ALA A 26 -5.804 -18.303 -6.197 1.00 1.41 H new ATOM 0 HA ALA A 26 -4.140 -19.710 -7.984 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.790 -17.917 -9.558 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -6.189 -18.536 -8.648 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.455 -16.978 -8.200 1.00 14.40 H new ATOM 416 N ILE A 27 -2.959 -16.801 -6.948 1.00 44.10 N ATOM 417 CA ILE A 27 -1.737 -16.015 -6.824 1.00 13.45 C ATOM 418 C ILE A 27 -0.667 -16.783 -6.055 1.00 13.44 C ATOM 419 O ILE A 27 0.488 -16.844 -6.475 1.00 54.42 O ATOM 420 CB ILE A 27 -2.000 -14.674 -6.116 1.00 20.00 C ATOM 421 CG1 ILE A 27 -2.997 -13.835 -6.919 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.696 -13.914 -5.921 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.425 -13.972 -6.440 1.00 74.33 C ATOM 0 H ILE A 27 -3.784 -16.367 -6.534 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.383 -15.818 -7.836 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.431 -14.876 -5.135 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.703 -12.787 -6.866 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -2.944 -14.128 -7.968 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -0.898 -12.968 -5.419 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.015 -14.509 -5.313 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.239 -13.720 -6.892 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.076 -13.350 -7.054 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.737 -15.013 -6.519 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.492 -13.651 -5.400 1.00 74.33 H new ATOM 435 N GLU A 28 -1.060 -17.367 -4.928 1.00 54.21 N ATOM 436 CA GLU A 28 -0.133 -18.132 -4.101 1.00 54.51 C ATOM 437 C GLU A 28 0.602 -19.179 -4.933 1.00 43.41 C ATOM 438 O GLU A 28 1.815 -19.344 -4.811 1.00 43.02 O ATOM 439 CB GLU A 28 -0.882 -18.811 -2.952 1.00 64.12 C ATOM 440 CG GLU A 28 -1.191 -17.880 -1.792 1.00 40.22 C ATOM 441 CD GLU A 28 -1.806 -18.604 -0.611 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.172 -19.549 -0.097 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -2.923 -18.224 -0.200 1.00 63.03 O ATOM 0 H GLU A 28 -2.013 -17.326 -4.566 1.00 54.21 H new ATOM 0 HA GLU A 28 0.602 -17.441 -3.688 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -1.815 -19.225 -3.333 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.287 -19.648 -2.586 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -0.273 -17.386 -1.473 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.872 -17.099 -2.129 1.00 40.22 H new ATOM 450 N ALA A 29 -0.143 -19.885 -5.777 1.00 30.04 N ATOM 451 CA ALA A 29 0.437 -20.914 -6.631 1.00 12.54 C ATOM 452 C ALA A 29 1.323 -20.299 -7.710 1.00 13.03 C ATOM 453 O ALA A 29 2.292 -20.912 -8.154 1.00 61.31 O ATOM 454 CB ALA A 29 -0.661 -21.756 -7.264 1.00 31.13 C ATOM 0 H ALA A 29 -1.150 -19.763 -5.888 1.00 30.04 H new ATOM 0 HA ALA A 29 1.060 -21.557 -6.009 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.213 -22.520 -7.899 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.250 -22.234 -6.481 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.308 -21.118 -7.866 1.00 31.13 H new ATOM 460 N ALA A 30 0.982 -19.085 -8.126 1.00 53.23 N ATOM 461 CA ALA A 30 1.746 -18.386 -9.151 1.00 23.45 C ATOM 462 C ALA A 30 3.101 -17.936 -8.616 1.00 61.02 C ATOM 463 O ALA A 30 4.131 -18.122 -9.264 1.00 51.44 O ATOM 464 CB ALA A 30 0.961 -17.193 -9.676 1.00 32.41 C ATOM 0 H ALA A 30 0.181 -18.564 -7.769 1.00 53.23 H new ATOM 0 HA ALA A 30 1.922 -19.080 -9.973 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.545 -16.681 -10.441 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.021 -17.537 -10.107 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.754 -16.505 -8.857 1.00 32.41 H new ATOM 470 N LEU A 31 3.094 -17.342 -7.427 1.00 5.35 N ATOM 471 CA LEU A 31 4.322 -16.863 -6.803 1.00 1.23 C ATOM 472 C LEU A 31 5.300 -18.011 -6.576 1.00 21.11 C ATOM 473 O LEU A 31 6.466 -17.934 -6.966 1.00 34.51 O ATOM 474 CB LEU A 31 4.007 -16.176 -5.473 1.00 45.33 C ATOM 475 CG LEU A 31 3.759 -14.668 -5.540 1.00 33.31 C ATOM 476 CD1 LEU A 31 4.974 -13.950 -6.103 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.524 -14.368 -6.377 1.00 43.31 C ATOM 0 H LEU A 31 2.251 -17.181 -6.876 1.00 5.35 H new ATOM 0 HA LEU A 31 4.786 -16.142 -7.476 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.126 -16.650 -5.041 1.00 45.33 H new ATOM 0 HB3 LEU A 31 4.835 -16.358 -4.788 1.00 45.33 H new ATOM 0 HG LEU A 31 3.586 -14.303 -4.528 1.00 33.31 H new ATOM 0 HD11 LEU A 31 4.778 -12.879 -6.143 1.00 53.12 H new ATOM 0 HD12 LEU A 31 5.836 -14.137 -5.463 1.00 53.12 H new ATOM 0 HD13 LEU A 31 5.181 -14.318 -7.108 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.362 -13.291 -6.414 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.669 -14.748 -7.388 1.00 43.31 H new ATOM 0 HD23 LEU A 31 1.655 -14.850 -5.929 1.00 43.31 H new ATOM 489 N ILE A 32 4.817 -19.077 -5.944 1.00 24.45 N ATOM 490 CA ILE A 32 5.649 -20.242 -5.668 1.00 71.03 C ATOM 491 C ILE A 32 6.215 -20.831 -6.956 1.00 24.23 C ATOM 492 O ILE A 32 7.379 -21.226 -7.011 1.00 63.05 O ATOM 493 CB ILE A 32 4.858 -21.333 -4.922 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.737 -22.564 -4.694 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.606 -21.707 -5.702 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.348 -23.367 -3.473 1.00 4.22 C ATOM 0 H ILE A 32 3.855 -19.157 -5.614 1.00 24.45 H new ATOM 0 HA ILE A 32 6.469 -19.902 -5.036 1.00 71.03 H new ATOM 0 HB ILE A 32 4.554 -20.941 -3.951 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.684 -23.206 -5.573 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.775 -22.246 -4.594 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.058 -22.479 -5.162 1.00 41.15 H new ATOM 0 HG22 ILE A 32 2.973 -20.827 -5.818 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.889 -22.083 -6.685 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.014 -24.224 -3.374 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.429 -22.741 -2.585 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.321 -23.716 -3.579 1.00 4.22 H new ATOM 508 N SER A 33 5.382 -20.884 -7.991 1.00 23.51 N ATOM 509 CA SER A 33 5.800 -21.427 -9.280 1.00 62.33 C ATOM 510 C SER A 33 6.885 -20.559 -9.908 1.00 1.44 C ATOM 511 O SER A 33 7.888 -21.067 -10.410 1.00 2.10 O ATOM 512 CB SER A 33 4.601 -21.529 -10.226 1.00 3.21 C ATOM 513 OG SER A 33 5.011 -21.446 -11.579 1.00 24.42 O ATOM 0 H SER A 33 4.416 -20.558 -7.963 1.00 23.51 H new ATOM 0 HA SER A 33 6.208 -22.424 -9.113 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.080 -22.472 -10.058 1.00 3.21 H new ATOM 0 HB3 SER A 33 3.893 -20.730 -10.008 1.00 3.21 H new ATOM 0 HG SER A 33 4.227 -21.515 -12.163 1.00 24.42 H new ATOM 519 N ALA A 34 6.677 -19.247 -9.878 1.00 22.53 N ATOM 520 CA ALA A 34 7.638 -18.307 -10.442 1.00 1.34 C ATOM 521 C ALA A 34 9.018 -18.491 -9.818 1.00 52.14 C ATOM 522 O ALA A 34 10.020 -18.595 -10.524 1.00 62.24 O ATOM 523 CB ALA A 34 7.155 -16.877 -10.249 1.00 23.24 C ATOM 0 H ALA A 34 5.851 -18.811 -9.469 1.00 22.53 H new ATOM 0 HA ALA A 34 7.721 -18.509 -11.510 1.00 1.34 H new ATOM 0 HB1 ALA A 34 7.883 -16.186 -10.675 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.195 -16.747 -10.749 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.041 -16.672 -9.185 1.00 23.24 H new ATOM 529 N TYR A 35 9.060 -18.528 -8.491 1.00 60.44 N ATOM 530 CA TYR A 35 10.317 -18.695 -7.771 1.00 42.44 C ATOM 531 C TYR A 35 10.851 -20.116 -7.931 1.00 40.45 C ATOM 532 O TYR A 35 12.062 -20.339 -7.942 1.00 13.24 O ATOM 533 CB TYR A 35 10.127 -18.374 -6.287 1.00 14.41 C ATOM 534 CG TYR A 35 11.300 -18.780 -5.424 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.380 -20.056 -4.882 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.328 -17.887 -5.152 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.450 -20.431 -4.092 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.403 -18.253 -4.364 1.00 13.02 C ATOM 539 CZ TYR A 35 13.458 -19.526 -3.836 1.00 1.20 C ATOM 540 OH TYR A 35 14.526 -19.896 -3.051 1.00 72.42 O ATOM 0 H TYR A 35 8.239 -18.445 -7.892 1.00 60.44 H new ATOM 0 HA TYR A 35 11.044 -18.002 -8.195 1.00 42.44 H new ATOM 0 HB2 TYR A 35 9.958 -17.303 -6.174 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.230 -18.878 -5.927 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.592 -20.768 -5.081 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.287 -16.889 -5.563 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.496 -21.427 -3.678 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.195 -17.547 -4.163 1.00 13.02 H new ATOM 0 HH TYR A 35 15.140 -19.138 -2.956 1.00 72.42 H new ATOM 550 N LYS A 36 9.939 -21.074 -8.053 1.00 5.13 N ATOM 551 CA LYS A 36 10.314 -22.473 -8.215 1.00 11.15 C ATOM 552 C LYS A 36 11.041 -22.693 -9.538 1.00 32.14 C ATOM 553 O LYS A 36 11.936 -23.532 -9.633 1.00 62.43 O ATOM 554 CB LYS A 36 9.074 -23.367 -8.148 1.00 64.34 C ATOM 555 CG LYS A 36 8.796 -23.919 -6.761 1.00 20.30 C ATOM 556 CD LYS A 36 7.952 -25.181 -6.822 1.00 1.42 C ATOM 557 CE LYS A 36 7.552 -25.652 -5.433 1.00 45.53 C ATOM 558 NZ LYS A 36 7.392 -27.131 -5.373 1.00 21.13 N1+ ATOM 0 H LYS A 36 8.933 -20.906 -8.043 1.00 5.13 H new ATOM 0 HA LYS A 36 10.989 -22.737 -7.401 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.207 -22.797 -8.484 1.00 64.34 H new ATOM 0 HB3 LYS A 36 9.198 -24.198 -8.842 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.739 -24.135 -6.259 1.00 20.30 H new ATOM 0 HG3 LYS A 36 8.282 -23.165 -6.165 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.057 -24.993 -7.415 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.510 -25.969 -7.328 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.307 -25.339 -4.712 1.00 45.53 H new ATOM 0 HE3 LYS A 36 6.617 -25.174 -5.143 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 7.119 -27.412 -4.410 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 6.654 -27.428 -6.042 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.292 -27.588 -5.625 1.00 21.13 H new ATOM 572 N ARG A 37 10.651 -21.931 -10.555 1.00 74.25 N ATOM 573 CA ARG A 37 11.266 -22.043 -11.873 1.00 53.51 C ATOM 574 C ARG A 37 12.776 -21.835 -11.787 1.00 13.30 C ATOM 575 O ARG A 37 13.523 -22.276 -12.658 1.00 74.35 O ATOM 576 CB ARG A 37 10.653 -21.022 -12.833 1.00 25.33 C ATOM 577 CG ARG A 37 9.267 -21.404 -13.324 1.00 1.44 C ATOM 578 CD ARG A 37 9.335 -22.249 -14.586 1.00 4.13 C ATOM 579 NE ARG A 37 9.520 -23.666 -14.287 1.00 22.22 N ATOM 580 CZ ARG A 37 8.565 -24.442 -13.787 1.00 71.43 C ATOM 581 NH1 ARG A 37 7.365 -23.940 -13.531 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 8.810 -25.723 -13.541 1.00 43.33 N ATOM 0 H ARG A 37 9.913 -21.230 -10.492 1.00 74.25 H new ATOM 0 HA ARG A 37 11.076 -23.047 -12.252 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.599 -20.054 -12.335 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.313 -20.902 -13.692 1.00 25.33 H new ATOM 0 HG2 ARG A 37 8.743 -21.956 -12.544 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.688 -20.502 -13.520 1.00 1.44 H new ATOM 0 HD2 ARG A 37 8.418 -22.117 -15.161 1.00 4.13 H new ATOM 0 HD3 ARG A 37 10.157 -21.900 -15.212 1.00 4.13 H new ATOM 0 HE ARG A 37 10.432 -24.083 -14.472 1.00 22.22 H new ATOM 0 HH11 ARG A 37 7.173 -22.956 -13.718 1.00 64.15 H new ATOM 0 HH12 ARG A 37 6.633 -24.538 -13.147 1.00 64.15 H new ATOM 0 HH21 ARG A 37 9.732 -26.112 -13.736 1.00 43.33 H new ATOM 0 HH22 ARG A 37 8.076 -26.318 -13.157 1.00 43.33 H new ATOM 596 N ASN A 38 13.216 -21.159 -10.730 1.00 64.14 N ATOM 597 CA ASN A 38 14.636 -20.891 -10.531 1.00 2.44 C ATOM 598 C ASN A 38 15.336 -22.099 -9.916 1.00 62.25 C ATOM 599 O ASN A 38 16.382 -22.535 -10.395 1.00 62.41 O ATOM 600 CB ASN A 38 14.824 -19.666 -9.635 1.00 14.03 C ATOM 601 CG ASN A 38 14.626 -18.363 -10.386 1.00 30.51 C ATOM 602 OD1 ASN A 38 15.562 -17.830 -10.984 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.404 -17.845 -10.361 1.00 43.51 N ATOM 0 H ASN A 38 12.610 -20.787 -9.999 1.00 64.14 H new ATOM 0 HA ASN A 38 15.083 -20.692 -11.505 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.119 -19.715 -8.805 1.00 14.03 H new ATOM 0 HB3 ASN A 38 15.825 -19.685 -9.204 1.00 14.03 H new ATOM 0 HD21 ASN A 38 13.210 -16.971 -10.850 1.00 43.51 H new ATOM 0 HD22 ASN A 38 12.659 -18.321 -9.853 1.00 43.51 H new ATOM 610 N PHE A 39 14.751 -22.634 -8.849 1.00 74.50 N ATOM 611 CA PHE A 39 15.318 -23.791 -8.166 1.00 13.22 C ATOM 612 C PHE A 39 14.240 -24.832 -7.872 1.00 13.23 C ATOM 613 O PHE A 39 13.884 -25.060 -6.718 1.00 12.23 O ATOM 614 CB PHE A 39 15.996 -23.360 -6.863 1.00 22.33 C ATOM 615 CG PHE A 39 17.357 -22.760 -7.067 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.327 -23.440 -7.787 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.668 -21.518 -6.537 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.582 -22.889 -7.976 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.920 -20.964 -6.723 1.00 73.20 C ATOM 620 CZ PHE A 39 19.879 -21.651 -7.442 1.00 41.30 C ATOM 0 H PHE A 39 13.885 -22.285 -8.439 1.00 74.50 H new ATOM 0 HA PHE A 39 16.063 -24.240 -8.823 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.360 -22.635 -6.354 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.083 -24.224 -6.205 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.101 -24.410 -8.205 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.923 -20.977 -5.972 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.329 -23.427 -8.541 1.00 20.44 H new ATOM 0 HE2 PHE A 39 19.149 -19.994 -6.306 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.859 -21.221 -7.586 1.00 41.30 H new ATOM 630 N ASN A 40 13.728 -25.457 -8.926 1.00 5.11 N ATOM 631 CA ASN A 40 12.690 -26.472 -8.782 1.00 31.44 C ATOM 632 C ASN A 40 13.284 -27.791 -8.297 1.00 13.21 C ATOM 633 O ASN A 40 12.826 -28.362 -7.307 1.00 10.21 O ATOM 634 CB ASN A 40 11.966 -26.685 -10.113 1.00 21.11 C ATOM 635 CG ASN A 40 12.928 -26.843 -11.275 1.00 35.33 C ATOM 636 OD1 ASN A 40 13.519 -25.869 -11.743 1.00 34.12 O ATOM 637 ND2 ASN A 40 13.088 -28.073 -11.747 1.00 33.42 N ATOM 0 H ASN A 40 14.014 -25.279 -9.889 1.00 5.11 H new ATOM 0 HA ASN A 40 11.974 -26.121 -8.039 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.336 -27.572 -10.043 1.00 21.11 H new ATOM 0 HB3 ASN A 40 11.306 -25.839 -10.304 1.00 21.11 H new ATOM 0 HD21 ASN A 40 13.721 -28.241 -12.529 1.00 33.42 H new ATOM 0 HD22 ASN A 40 12.578 -28.850 -11.328 1.00 33.42 H new ATOM 644 N GLN A 41 14.304 -28.270 -9.002 1.00 42.41 N ATOM 645 CA GLN A 41 14.959 -29.521 -8.643 1.00 32.21 C ATOM 646 C GLN A 41 16.101 -29.276 -7.661 1.00 10.23 C ATOM 647 O GLN A 41 16.894 -30.174 -7.380 1.00 2.54 O ATOM 648 CB GLN A 41 15.490 -30.221 -9.895 1.00 24.30 C ATOM 649 CG GLN A 41 16.589 -29.447 -10.605 1.00 23.03 C ATOM 650 CD GLN A 41 17.156 -30.197 -11.795 1.00 60.23 C ATOM 651 OE1 GLN A 41 16.412 -30.727 -12.620 1.00 25.31 O ATOM 652 NE2 GLN A 41 18.479 -30.243 -11.890 1.00 53.52 N ATOM 0 H GLN A 41 14.694 -27.810 -9.825 1.00 42.41 H new ATOM 0 HA GLN A 41 14.221 -30.163 -8.162 1.00 32.21 H new ATOM 0 HB2 GLN A 41 15.870 -31.204 -9.618 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.665 -30.383 -10.588 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.194 -28.488 -10.939 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.392 -29.233 -9.899 1.00 23.03 H new ATOM 0 HE21 GLN A 41 19.057 -29.789 -11.183 1.00 53.52 H new ATOM 0 HE22 GLN A 41 18.918 -30.732 -12.670 1.00 53.52 H new ATOM 661 N ALA A 42 16.177 -28.055 -7.143 1.00 53.10 N ATOM 662 CA ALA A 42 17.219 -27.693 -6.191 1.00 45.11 C ATOM 663 C ALA A 42 16.735 -27.860 -4.755 1.00 30.22 C ATOM 664 O ALA A 42 17.494 -28.275 -3.880 1.00 53.42 O ATOM 665 CB ALA A 42 17.679 -26.262 -6.431 1.00 52.01 C ATOM 0 H ALA A 42 15.529 -27.300 -7.367 1.00 53.10 H new ATOM 0 HA ALA A 42 18.063 -28.366 -6.342 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.458 -26.005 -5.713 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.074 -26.172 -7.443 1.00 52.01 H new ATOM 0 HB3 ALA A 42 16.835 -25.583 -6.310 1.00 52.01 H new ATOM 671 N GLN A 43 15.468 -27.535 -4.521 1.00 44.33 N ATOM 672 CA GLN A 43 14.884 -27.649 -3.190 1.00 63.21 C ATOM 673 C GLN A 43 13.398 -27.305 -3.216 1.00 62.24 C ATOM 674 O GLN A 43 12.910 -26.690 -4.164 1.00 74.55 O ATOM 675 CB GLN A 43 15.614 -26.731 -2.209 1.00 72.12 C ATOM 676 CG GLN A 43 15.567 -27.219 -0.769 1.00 43.55 C ATOM 677 CD GLN A 43 16.310 -26.301 0.181 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.591 -25.742 1.148 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.517 -26.097 0.049 1.00 50.05 N flip ATOM 0 H GLN A 43 14.826 -27.191 -5.235 1.00 44.33 H new ATOM 0 HA GLN A 43 14.994 -28.682 -2.860 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.655 -26.637 -2.518 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.175 -25.735 -2.261 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.528 -27.301 -0.451 1.00 43.55 H new ATOM 0 HG3 GLN A 43 15.998 -28.219 -0.714 1.00 43.55 H new ATOM 0 HE21 GLN A 43 18.031 -26.547 -0.708 1.00 50.05 H new ATOM 0 HE22 GLN A 43 18.003 -25.478 0.697 1.00 50.05 H new ATOM 688 N ASN A 44 12.684 -27.707 -2.170 1.00 61.24 N ATOM 689 CA ASN A 44 11.253 -27.443 -2.073 1.00 5.03 C ATOM 690 C ASN A 44 10.994 -26.078 -1.440 1.00 45.14 C ATOM 691 O ASN A 44 11.866 -25.512 -0.782 1.00 15.42 O ATOM 692 CB ASN A 44 10.565 -28.537 -1.255 1.00 2.54 C ATOM 693 CG ASN A 44 9.057 -28.375 -1.227 1.00 33.50 C ATOM 694 OD1 ASN A 44 8.389 -28.504 -2.253 1.00 53.44 O ATOM 695 ND2 ASN A 44 8.514 -28.091 -0.049 1.00 2.43 N ATOM 0 H ASN A 44 13.073 -28.217 -1.377 1.00 61.24 H new ATOM 0 HA ASN A 44 10.840 -27.440 -3.082 1.00 5.03 H new ATOM 0 HB2 ASN A 44 10.815 -29.512 -1.674 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.949 -28.520 -0.235 1.00 2.54 H new ATOM 0 HD21 ASN A 44 7.504 -27.971 0.031 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.107 -27.993 0.775 1.00 2.43 H new ATOM 702 N VAL A 45 9.788 -25.558 -1.643 1.00 44.30 N ATOM 703 CA VAL A 45 9.412 -24.261 -1.091 1.00 71.11 C ATOM 704 C VAL A 45 7.898 -24.133 -0.970 1.00 24.13 C ATOM 705 O VAL A 45 7.150 -24.781 -1.703 1.00 24.45 O ATOM 706 CB VAL A 45 9.947 -23.106 -1.958 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.218 -23.057 -3.292 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.815 -21.782 -1.221 1.00 21.34 C ATOM 0 H VAL A 45 9.054 -26.014 -2.185 1.00 44.30 H new ATOM 0 HA VAL A 45 9.859 -24.198 -0.099 1.00 71.11 H new ATOM 0 HB VAL A 45 11.004 -23.283 -2.155 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.610 -22.235 -3.891 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.368 -23.997 -3.824 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.153 -22.905 -3.119 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.198 -20.977 -1.848 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.766 -21.596 -0.992 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.387 -21.823 -0.294 1.00 21.34 H new ATOM 718 N ARG A 46 7.453 -23.293 -0.042 1.00 33.25 N ATOM 719 CA ARG A 46 6.026 -23.080 0.175 1.00 13.25 C ATOM 720 C ARG A 46 5.719 -21.596 0.349 1.00 35.22 C ATOM 721 O ARG A 46 6.178 -20.963 1.300 1.00 45.34 O ATOM 722 CB ARG A 46 5.555 -23.858 1.405 1.00 60.23 C ATOM 723 CG ARG A 46 5.858 -25.345 1.338 1.00 34.50 C ATOM 724 CD ARG A 46 4.748 -26.109 0.634 1.00 54.54 C ATOM 725 NE ARG A 46 5.000 -26.241 -0.799 1.00 74.02 N ATOM 726 CZ ARG A 46 4.411 -27.150 -1.568 1.00 73.42 C ATOM 727 NH1 ARG A 46 3.541 -28.003 -1.044 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 4.691 -27.208 -2.863 1.00 42.44 N ATOM 0 H ARG A 46 8.059 -22.749 0.572 1.00 33.25 H new ATOM 0 HA ARG A 46 5.491 -23.443 -0.703 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.029 -23.439 2.293 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.480 -23.720 1.522 1.00 60.23 H new ATOM 0 HG2 ARG A 46 6.800 -25.502 0.812 1.00 34.50 H new ATOM 0 HG3 ARG A 46 5.987 -25.737 2.347 1.00 34.50 H new ATOM 0 HD2 ARG A 46 4.651 -27.100 1.078 1.00 54.54 H new ATOM 0 HD3 ARG A 46 3.799 -25.596 0.790 1.00 54.54 H new ATOM 0 HE ARG A 46 5.665 -25.600 -1.233 1.00 74.02 H new ATOM 0 HH11 ARG A 46 3.323 -27.962 -0.048 1.00 53.11 H new ATOM 0 HH12 ARG A 46 3.090 -28.700 -1.637 1.00 53.11 H new ATOM 0 HH21 ARG A 46 5.360 -26.554 -3.270 1.00 42.44 H new ATOM 0 HH22 ARG A 46 4.238 -27.907 -3.452 1.00 42.44 H new ATOM 742 N VAL A 47 4.938 -21.047 -0.576 1.00 13.15 N ATOM 743 CA VAL A 47 4.569 -19.637 -0.525 1.00 40.55 C ATOM 744 C VAL A 47 3.218 -19.448 0.156 1.00 21.11 C ATOM 745 O VAL A 47 2.298 -20.243 -0.036 1.00 40.40 O ATOM 746 CB VAL A 47 4.511 -19.021 -1.936 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.065 -17.567 -1.866 1.00 73.12 C ATOM 748 CG2 VAL A 47 5.862 -19.140 -2.625 1.00 3.11 C ATOM 0 H VAL A 47 4.549 -21.557 -1.369 1.00 13.15 H new ATOM 0 HA VAL A 47 5.339 -19.128 0.054 1.00 40.55 H new ATOM 0 HB VAL A 47 3.779 -19.573 -2.525 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.030 -17.148 -2.872 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.074 -17.512 -1.415 1.00 73.12 H new ATOM 0 HG13 VAL A 47 4.771 -16.999 -1.261 1.00 73.12 H new ATOM 0 HG21 VAL A 47 5.803 -18.700 -3.620 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.616 -18.614 -2.040 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.136 -20.192 -2.709 1.00 3.11 H new ATOM 758 N ASP A 48 3.106 -18.389 0.951 1.00 31.11 N ATOM 759 CA ASP A 48 1.867 -18.094 1.660 1.00 72.44 C ATOM 760 C ASP A 48 1.491 -16.622 1.508 1.00 70.23 C ATOM 761 O ASP A 48 2.192 -15.738 1.999 1.00 21.40 O ATOM 762 CB ASP A 48 2.006 -18.446 3.142 1.00 33.25 C ATOM 763 CG ASP A 48 0.674 -18.782 3.785 1.00 71.03 C ATOM 764 OD1 ASP A 48 -0.372 -18.421 3.205 1.00 23.12 O ATOM 765 OD2 ASP A 48 0.678 -19.406 4.866 1.00 32.52 O1- ATOM 0 H ASP A 48 3.858 -17.721 1.120 1.00 31.11 H new ATOM 0 HA ASP A 48 1.074 -18.701 1.223 1.00 72.44 H new ATOM 0 HB2 ASP A 48 2.682 -19.294 3.249 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.460 -17.608 3.670 1.00 33.25 H new ATOM 770 N LEU A 49 0.382 -16.369 0.823 1.00 24.33 N ATOM 771 CA LEU A 49 -0.087 -15.005 0.604 1.00 74.30 C ATOM 772 C LEU A 49 -1.071 -14.586 1.693 1.00 41.23 C ATOM 773 O LEU A 49 -1.844 -15.402 2.191 1.00 13.24 O ATOM 774 CB LEU A 49 -0.748 -14.886 -0.769 1.00 25.14 C ATOM 775 CG LEU A 49 -1.201 -13.483 -1.178 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.549 -13.073 -2.489 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.717 -13.425 -1.293 1.00 21.20 C ATOM 0 H LEU A 49 -0.209 -17.090 0.410 1.00 24.33 H new ATOM 0 HA LEU A 49 0.776 -14.340 0.644 1.00 74.30 H new ATOM 0 HB2 LEU A 49 -0.048 -15.253 -1.520 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.615 -15.547 -0.791 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.888 -12.781 -0.405 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.883 -12.073 -2.764 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.535 -13.075 -2.373 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -0.831 -13.778 -3.271 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -3.022 -12.420 -1.585 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -3.052 -14.139 -2.046 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -3.165 -13.675 -0.331 1.00 21.20 H new ATOM 789 N ASN A 50 -1.036 -13.308 2.055 1.00 2.14 N ATOM 790 CA ASN A 50 -1.925 -12.781 3.083 1.00 51.24 C ATOM 791 C ASN A 50 -2.765 -11.629 2.538 1.00 73.32 C ATOM 792 O ASN A 50 -2.295 -10.496 2.442 1.00 30.13 O ATOM 793 CB ASN A 50 -1.117 -12.307 4.294 1.00 23.52 C ATOM 794 CG ASN A 50 -0.693 -13.454 5.190 1.00 61.45 C ATOM 795 OD1 ASN A 50 0.465 -13.873 5.177 1.00 42.53 O ATOM 796 ND2 ASN A 50 -1.633 -13.969 5.975 1.00 44.50 N ATOM 0 H ASN A 50 -0.402 -12.618 1.652 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.595 -13.583 3.393 1.00 51.24 H new ATOM 0 HB2 ASN A 50 -0.232 -11.772 3.950 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.713 -11.600 4.871 1.00 23.52 H new ATOM 0 HD21 ASN A 50 -1.408 -14.743 6.600 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -2.580 -13.590 5.953 1.00 44.50 H new ATOM 803 N ARG A 51 -4.010 -11.930 2.182 1.00 0.13 N ATOM 804 CA ARG A 51 -4.915 -10.921 1.646 1.00 51.01 C ATOM 805 C ARG A 51 -5.308 -9.914 2.723 1.00 31.24 C ATOM 806 O ARG A 51 -5.886 -8.869 2.428 1.00 2.24 O ATOM 807 CB ARG A 51 -6.168 -11.584 1.071 1.00 21.12 C ATOM 808 CG ARG A 51 -6.896 -12.475 2.064 1.00 33.14 C ATOM 809 CD ARG A 51 -8.262 -12.892 1.542 1.00 3.53 C ATOM 810 NE ARG A 51 -9.174 -13.253 2.624 1.00 0.04 N ATOM 811 CZ ARG A 51 -10.484 -13.402 2.462 1.00 72.34 C ATOM 812 NH1 ARG A 51 -11.032 -13.223 1.268 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -11.248 -13.732 3.495 1.00 73.32 N ATOM 0 H ARG A 51 -4.414 -12.864 2.255 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.395 -10.389 0.849 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.851 -10.809 0.722 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.888 -12.177 0.201 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.296 -13.362 2.266 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -7.013 -11.947 3.010 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.693 -12.076 0.962 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.149 -13.739 0.866 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.784 -13.399 3.555 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -10.447 -12.970 0.471 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -12.038 -13.338 1.146 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.830 -13.872 4.415 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -12.254 -13.846 3.370 1.00 73.32 H new ATOM 827 N GLU A 52 -4.990 -10.238 3.972 1.00 34.15 N ATOM 828 CA GLU A 52 -5.311 -9.363 5.093 1.00 24.22 C ATOM 829 C GLU A 52 -4.472 -8.090 5.047 1.00 0.20 C ATOM 830 O GLU A 52 -4.971 -6.993 5.302 1.00 22.35 O ATOM 831 CB GLU A 52 -5.081 -10.090 6.419 1.00 52.12 C ATOM 832 CG GLU A 52 -3.674 -10.644 6.574 1.00 75.31 C ATOM 833 CD GLU A 52 -3.489 -11.413 7.868 1.00 73.42 C ATOM 834 OE1 GLU A 52 -4.144 -12.463 8.032 1.00 11.41 O ATOM 835 OE2 GLU A 52 -2.690 -10.964 8.716 1.00 52.33 O1- ATOM 0 H GLU A 52 -4.511 -11.100 4.233 1.00 34.15 H new ATOM 0 HA GLU A 52 -6.363 -9.088 5.016 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -5.284 -9.403 7.240 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.796 -10.908 6.504 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -3.450 -11.299 5.732 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.958 -9.823 6.538 1.00 75.31 H new ATOM 842 N THR A 53 -3.192 -8.242 4.720 1.00 23.40 N ATOM 843 CA THR A 53 -2.283 -7.107 4.641 1.00 34.31 C ATOM 844 C THR A 53 -1.574 -7.062 3.292 1.00 54.44 C ATOM 845 O THR A 53 -0.565 -6.376 3.132 1.00 31.00 O ATOM 846 CB THR A 53 -1.226 -7.155 5.761 1.00 73.11 C ATOM 847 OG1 THR A 53 -0.380 -6.002 5.686 1.00 13.41 O ATOM 848 CG2 THR A 53 -0.383 -8.417 5.655 1.00 32.42 C ATOM 0 H THR A 53 -2.762 -9.142 4.506 1.00 23.40 H new ATOM 0 HA THR A 53 -2.889 -6.209 4.760 1.00 34.31 H new ATOM 0 HB THR A 53 -1.744 -7.163 6.720 1.00 73.11 H new ATOM 0 HG1 THR A 53 -0.051 -5.897 4.769 1.00 13.41 H new ATOM 0 HG21 THR A 53 0.356 -8.429 6.456 1.00 32.42 H new ATOM 0 HG22 THR A 53 -1.026 -9.293 5.742 1.00 32.42 H new ATOM 0 HG23 THR A 53 0.126 -8.435 4.691 1.00 32.42 H new ATOM 856 N GLY A 54 -2.110 -7.799 2.323 1.00 23.41 N ATOM 857 CA GLY A 54 -1.516 -7.828 0.999 1.00 44.31 C ATOM 858 C GLY A 54 -0.036 -8.154 1.035 1.00 5.13 C ATOM 859 O GLY A 54 0.715 -7.758 0.144 1.00 74.51 O ATOM 0 H GLY A 54 -2.944 -8.376 2.431 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -2.033 -8.568 0.388 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.660 -6.861 0.518 1.00 44.31 H new ATOM 863 N SER A 55 0.384 -8.876 2.069 1.00 33.40 N ATOM 864 CA SER A 55 1.786 -9.250 2.220 1.00 75.11 C ATOM 865 C SER A 55 2.032 -10.659 1.690 1.00 63.23 C ATOM 866 O SER A 55 1.093 -11.376 1.342 1.00 45.55 O ATOM 867 CB SER A 55 2.203 -9.165 3.689 1.00 55.25 C ATOM 868 OG SER A 55 3.607 -9.025 3.814 1.00 71.01 O ATOM 0 H SER A 55 -0.226 -9.213 2.814 1.00 33.40 H new ATOM 0 HA SER A 55 2.388 -8.552 1.638 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.707 -8.318 4.163 1.00 55.25 H new ATOM 0 HB3 SER A 55 1.876 -10.062 4.215 1.00 55.25 H new ATOM 0 HG SER A 55 3.847 -8.971 4.763 1.00 71.01 H new ATOM 874 N ILE A 56 3.301 -11.050 1.632 1.00 3.53 N ATOM 875 CA ILE A 56 3.671 -12.373 1.146 1.00 74.13 C ATOM 876 C ILE A 56 4.951 -12.865 1.814 1.00 0.40 C ATOM 877 O ILE A 56 5.841 -12.076 2.130 1.00 42.33 O ATOM 878 CB ILE A 56 3.867 -12.377 -0.382 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.695 -13.793 -0.936 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.239 -11.825 -0.740 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.297 -14.081 -1.434 1.00 3.04 C ATOM 0 H ILE A 56 4.090 -10.469 1.916 1.00 3.53 H new ATOM 0 HA ILE A 56 2.850 -13.044 1.400 1.00 74.13 H new ATOM 0 HB ILE A 56 3.110 -11.736 -0.833 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.401 -13.943 -1.753 1.00 3.03 H new ATOM 0 HG13 ILE A 56 3.950 -14.512 -0.158 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.364 -11.834 -1.823 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.327 -10.802 -0.373 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.011 -12.443 -0.281 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.249 -15.102 -1.812 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.588 -13.963 -0.615 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.045 -13.385 -2.235 1.00 3.04 H new ATOM 893 N ARG A 57 5.037 -14.175 2.021 1.00 32.14 N ATOM 894 CA ARG A 57 6.208 -14.773 2.650 1.00 64.45 C ATOM 895 C ARG A 57 6.511 -16.141 2.045 1.00 32.01 C ATOM 896 O ARG A 57 5.634 -16.999 1.953 1.00 32.22 O ATOM 897 CB ARG A 57 5.991 -14.908 4.159 1.00 61.04 C ATOM 898 CG ARG A 57 5.969 -13.578 4.893 1.00 70.51 C ATOM 899 CD ARG A 57 7.322 -12.884 4.829 1.00 15.33 C ATOM 900 NE ARG A 57 7.590 -12.097 6.029 1.00 71.31 N ATOM 901 CZ ARG A 57 8.757 -11.514 6.280 1.00 72.11 C ATOM 902 NH1 ARG A 57 9.758 -11.628 5.416 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 8.925 -10.813 7.394 1.00 34.43 N ATOM 0 H ARG A 57 4.310 -14.842 1.762 1.00 32.14 H new ATOM 0 HA ARG A 57 7.060 -14.118 2.470 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.049 -15.427 4.337 1.00 61.04 H new ATOM 0 HB3 ARG A 57 6.782 -15.531 4.577 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.207 -12.933 4.456 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.691 -13.740 5.934 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.106 -13.630 4.702 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.355 -12.234 3.954 1.00 15.33 H new ATOM 0 HE ARG A 57 6.840 -11.989 6.712 1.00 71.31 H new ATOM 0 HH11 ARG A 57 9.632 -12.164 4.557 1.00 34.40 H new ATOM 0 HH12 ARG A 57 10.653 -11.180 5.611 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.157 -10.721 8.059 1.00 34.43 H new ATOM 0 HH22 ARG A 57 9.822 -10.366 7.585 1.00 34.43 H new ATOM 917 N VAL A 58 7.761 -16.336 1.633 1.00 42.34 N ATOM 918 CA VAL A 58 8.180 -17.599 1.037 1.00 43.54 C ATOM 919 C VAL A 58 9.145 -18.345 1.952 1.00 10.15 C ATOM 920 O VAL A 58 10.238 -17.860 2.246 1.00 73.04 O ATOM 921 CB VAL A 58 8.854 -17.378 -0.330 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.025 -18.700 -1.062 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.049 -16.396 -1.168 1.00 4.35 C ATOM 0 H VAL A 58 8.500 -15.636 1.701 1.00 42.34 H new ATOM 0 HA VAL A 58 7.280 -18.197 0.898 1.00 43.54 H new ATOM 0 HB VAL A 58 9.843 -16.953 -0.163 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.503 -18.523 -2.026 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.647 -19.368 -0.466 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.048 -19.157 -1.220 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.540 -16.252 -2.131 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.046 -16.791 -1.328 1.00 4.35 H new ATOM 0 HG23 VAL A 58 7.984 -15.441 -0.647 1.00 4.35 H new ATOM 933 N PHE A 59 8.734 -19.527 2.399 1.00 1.31 N ATOM 934 CA PHE A 59 9.561 -20.340 3.282 1.00 44.44 C ATOM 935 C PHE A 59 9.913 -21.671 2.624 1.00 1.24 C ATOM 936 O PHE A 59 9.128 -22.219 1.851 1.00 3.23 O ATOM 937 CB PHE A 59 8.838 -20.589 4.607 1.00 43.13 C ATOM 938 CG PHE A 59 8.389 -19.330 5.291 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.295 -18.539 5.981 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.061 -18.936 5.246 1.00 45.01 C ATOM 941 CE1 PHE A 59 8.884 -17.379 6.611 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.646 -17.777 5.873 1.00 52.11 C ATOM 943 CZ PHE A 59 7.558 -16.998 6.558 1.00 33.22 C ATOM 0 H PHE A 59 7.833 -19.943 2.164 1.00 1.31 H new ATOM 0 HA PHE A 59 10.485 -19.795 3.477 1.00 44.44 H new ATOM 0 HB2 PHE A 59 7.970 -21.223 4.425 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.500 -21.140 5.275 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.333 -18.832 6.027 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.342 -19.542 4.715 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.600 -16.771 7.144 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.609 -17.480 5.828 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.235 -16.093 7.051 1.00 33.22 H new ATOM 953 N ALA A 60 11.098 -22.183 2.936 1.00 64.33 N ATOM 954 CA ALA A 60 11.554 -23.449 2.376 1.00 61.55 C ATOM 955 C ALA A 60 11.433 -24.576 3.397 1.00 45.11 C ATOM 956 O ALA A 60 12.009 -24.506 4.484 1.00 31.21 O ATOM 957 CB ALA A 60 12.991 -23.326 1.892 1.00 21.41 C ATOM 0 H ALA A 60 11.760 -21.741 3.574 1.00 64.33 H new ATOM 0 HA ALA A 60 10.916 -23.692 1.527 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.318 -24.279 1.476 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.051 -22.555 1.124 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.635 -23.055 2.729 1.00 21.41 H new ATOM 963 N ARG A 61 10.681 -25.613 3.042 1.00 41.23 N ATOM 964 CA ARG A 61 10.484 -26.753 3.928 1.00 72.14 C ATOM 965 C ARG A 61 11.639 -27.743 3.807 1.00 20.13 C ATOM 966 O ARG A 61 11.921 -28.257 2.725 1.00 1.01 O ATOM 967 CB ARG A 61 9.163 -27.454 3.606 1.00 64.24 C ATOM 968 CG ARG A 61 8.406 -27.923 4.838 1.00 32.03 C ATOM 969 CD ARG A 61 6.905 -27.941 4.596 1.00 70.43 C ATOM 970 NE ARG A 61 6.261 -29.083 5.240 1.00 4.21 N ATOM 971 CZ ARG A 61 4.955 -29.154 5.473 1.00 31.53 C ATOM 972 NH1 ARG A 61 4.158 -28.156 5.117 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 4.443 -30.227 6.063 1.00 24.30 N ATOM 0 H ARG A 61 10.198 -25.687 2.147 1.00 41.23 H new ATOM 0 HA ARG A 61 10.451 -26.382 4.953 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.529 -26.773 3.038 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.364 -28.312 2.965 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.743 -28.922 5.115 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.632 -27.266 5.678 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.466 -27.017 4.973 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.711 -27.972 3.524 1.00 70.43 H new ATOM 0 HE ARG A 61 6.846 -29.868 5.526 1.00 4.21 H new ATOM 0 HH11 ARG A 61 4.547 -27.330 4.662 1.00 71.04 H new ATOM 0 HH12 ARG A 61 3.156 -28.214 5.298 1.00 71.04 H new ATOM 0 HH21 ARG A 61 5.052 -30.998 6.338 1.00 24.30 H new ATOM 0 HH22 ARG A 61 3.440 -30.281 6.242 1.00 24.30 H new ATOM 987 N LYS A 62 12.307 -28.005 4.926 1.00 10.33 N ATOM 988 CA LYS A 62 13.431 -28.932 4.947 1.00 21.43 C ATOM 989 C LYS A 62 13.127 -30.135 5.835 1.00 75.40 C ATOM 990 O LYS A 62 12.461 -30.008 6.862 1.00 2.42 O ATOM 991 CB LYS A 62 14.693 -28.224 5.445 1.00 43.22 C ATOM 992 CG LYS A 62 15.418 -27.441 4.363 1.00 41.54 C ATOM 993 CD LYS A 62 16.312 -26.367 4.957 1.00 43.23 C ATOM 994 CE LYS A 62 17.496 -26.064 4.051 1.00 43.44 C ATOM 995 NZ LYS A 62 18.673 -25.572 4.821 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.088 -27.587 5.831 1.00 10.33 H new ATOM 0 HA LYS A 62 13.597 -29.286 3.929 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.423 -27.545 6.254 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.374 -28.965 5.864 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.018 -28.122 3.760 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.689 -26.981 3.695 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.733 -25.458 5.117 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.673 -26.691 5.933 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.772 -26.964 3.501 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.206 -25.316 3.313 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.458 -25.377 4.168 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 18.418 -24.699 5.326 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 18.966 -26.296 5.508 1.00 24.24 H new ATOM 1009 N ASP A 63 13.619 -31.302 5.432 1.00 23.54 N ATOM 1010 CA ASP A 63 13.402 -32.527 6.192 1.00 42.41 C ATOM 1011 C ASP A 63 14.419 -32.652 7.322 1.00 73.33 C ATOM 1012 O ASP A 63 15.625 -32.712 7.082 1.00 62.32 O ATOM 1013 CB ASP A 63 13.492 -33.745 5.272 1.00 73.01 C ATOM 1014 CG ASP A 63 12.153 -34.435 5.093 1.00 64.14 C ATOM 1015 OD1 ASP A 63 11.184 -33.755 4.695 1.00 60.22 O1- ATOM 1016 OD2 ASP A 63 12.076 -35.654 5.348 1.00 40.11 O ATOM 0 H ASP A 63 14.171 -31.425 4.583 1.00 23.54 H new ATOM 0 HA ASP A 63 12.404 -32.483 6.628 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.870 -33.434 4.298 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.211 -34.454 5.682 1.00 73.01 H new ATOM 1021 N VAL A 64 13.924 -32.689 8.555 1.00 22.25 N ATOM 1022 CA VAL A 64 14.789 -32.808 9.723 1.00 63.30 C ATOM 1023 C VAL A 64 15.171 -34.261 9.979 1.00 51.12 C ATOM 1024 O VAL A 64 14.332 -35.078 10.356 1.00 75.14 O ATOM 1025 CB VAL A 64 14.111 -32.238 10.984 1.00 43.02 C ATOM 1026 CG1 VAL A 64 15.092 -32.198 12.145 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.546 -30.853 10.703 1.00 14.04 C ATOM 0 H VAL A 64 12.928 -32.638 8.771 1.00 22.25 H new ATOM 0 HA VAL A 64 15.689 -32.231 9.510 1.00 63.30 H new ATOM 0 HB VAL A 64 13.285 -32.893 11.261 1.00 43.02 H new ATOM 0 HG11 VAL A 64 14.596 -31.793 13.027 1.00 52.52 H new ATOM 0 HG12 VAL A 64 15.444 -33.207 12.359 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.940 -31.565 11.883 1.00 52.52 H new ATOM 0 HG21 VAL A 64 13.071 -30.464 11.604 1.00 14.04 H new ATOM 0 HG22 VAL A 64 14.353 -30.185 10.402 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.809 -30.916 9.902 1.00 14.04 H new ATOM 1037 N VAL A 65 16.446 -34.577 9.771 1.00 11.54 N ATOM 1038 CA VAL A 65 16.942 -35.932 9.981 1.00 13.21 C ATOM 1039 C VAL A 65 18.326 -35.918 10.619 1.00 31.21 C ATOM 1040 O VAL A 65 19.110 -34.992 10.407 1.00 25.11 O ATOM 1041 CB VAL A 65 17.007 -36.717 8.656 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.609 -36.960 8.110 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.865 -35.977 7.641 1.00 31.51 C ATOM 0 H VAL A 65 17.154 -33.913 9.457 1.00 11.54 H new ATOM 0 HA VAL A 65 16.240 -36.426 10.654 1.00 13.21 H new ATOM 0 HB VAL A 65 17.468 -37.686 8.849 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.675 -37.515 7.174 1.00 54.12 H new ATOM 0 HG12 VAL A 65 15.031 -37.535 8.833 1.00 54.12 H new ATOM 0 HG13 VAL A 65 15.117 -36.004 7.930 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.900 -36.545 6.711 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.435 -34.994 7.449 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.875 -35.861 8.034 1.00 31.51 H new ATOM 1053 N ASP A 66 18.621 -36.951 11.401 1.00 62.52 N ATOM 1054 CA ASP A 66 19.912 -37.059 12.070 1.00 23.33 C ATOM 1055 C ASP A 66 21.044 -37.168 11.053 1.00 21.04 C ATOM 1056 O ASP A 66 22.202 -36.898 11.369 1.00 0.24 O ATOM 1057 CB ASP A 66 19.928 -38.272 13.002 1.00 11.32 C ATOM 1058 CG ASP A 66 19.163 -38.024 14.287 1.00 10.50 C ATOM 1059 OD1 ASP A 66 19.060 -36.851 14.701 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 18.666 -39.006 14.879 1.00 32.13 O ATOM 0 H ASP A 66 17.984 -37.725 11.587 1.00 62.52 H new ATOM 0 HA ASP A 66 20.064 -36.155 12.660 1.00 23.33 H new ATOM 0 HB2 ASP A 66 19.497 -39.129 12.485 1.00 11.32 H new ATOM 0 HB3 ASP A 66 20.960 -38.530 13.241 1.00 11.32 H new ATOM 1065 N GLU A 67 20.700 -37.567 9.833 1.00 15.03 N ATOM 1066 CA GLU A 67 21.688 -37.713 8.771 1.00 31.11 C ATOM 1067 C GLU A 67 21.105 -37.295 7.424 1.00 50.23 C ATOM 1068 O GLU A 67 20.045 -37.771 7.018 1.00 63.43 O ATOM 1069 CB GLU A 67 22.181 -39.160 8.698 1.00 55.42 C ATOM 1070 CG GLU A 67 23.156 -39.527 9.803 1.00 72.25 C ATOM 1071 CD GLU A 67 23.596 -40.976 9.736 1.00 31.21 C ATOM 1072 OE1 GLU A 67 24.418 -41.306 8.854 1.00 25.33 O1- ATOM 1073 OE2 GLU A 67 23.120 -41.781 10.563 1.00 71.05 O ATOM 0 H GLU A 67 19.745 -37.795 9.556 1.00 15.03 H new ATOM 0 HA GLU A 67 22.530 -37.061 9.001 1.00 31.11 H new ATOM 0 HB2 GLU A 67 21.323 -39.830 8.745 1.00 55.42 H new ATOM 0 HB3 GLU A 67 22.660 -39.323 7.733 1.00 55.42 H new ATOM 0 HG2 GLU A 67 24.032 -38.882 9.738 1.00 72.25 H new ATOM 0 HG3 GLU A 67 22.691 -39.337 10.770 1.00 72.25 H new ATOM 1080 N VAL A 68 21.806 -36.398 6.735 1.00 15.43 N ATOM 1081 CA VAL A 68 21.359 -35.915 5.435 1.00 65.11 C ATOM 1082 C VAL A 68 21.148 -37.070 4.462 1.00 4.00 C ATOM 1083 O VAL A 68 22.104 -37.712 4.026 1.00 42.11 O ATOM 1084 CB VAL A 68 22.369 -34.924 4.827 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.914 -34.475 3.446 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.565 -33.730 5.747 1.00 63.52 C ATOM 0 H VAL A 68 22.685 -35.992 7.056 1.00 15.43 H new ATOM 0 HA VAL A 68 20.411 -35.403 5.597 1.00 65.11 H new ATOM 0 HB VAL A 68 23.328 -35.431 4.720 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.641 -33.775 3.033 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.832 -35.342 2.790 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.943 -33.986 3.524 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.282 -33.041 5.301 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.612 -33.220 5.890 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.942 -34.072 6.711 1.00 63.52 H new ATOM 1096 N TYR A 69 19.890 -37.330 4.125 1.00 32.10 N ATOM 1097 CA TYR A 69 19.552 -38.409 3.204 1.00 32.14 C ATOM 1098 C TYR A 69 18.893 -37.862 1.941 1.00 61.22 C ATOM 1099 O TYR A 69 18.838 -38.538 0.913 1.00 10.20 O ATOM 1100 CB TYR A 69 18.622 -39.415 3.884 1.00 62.24 C ATOM 1101 CG TYR A 69 19.352 -40.463 4.694 1.00 44.51 C ATOM 1102 CD1 TYR A 69 20.069 -41.477 4.071 1.00 73.44 C ATOM 1103 CD2 TYR A 69 19.325 -40.437 6.083 1.00 23.33 C ATOM 1104 CE1 TYR A 69 20.737 -42.436 4.807 1.00 1.01 C ATOM 1105 CE2 TYR A 69 19.991 -41.392 6.828 1.00 60.10 C ATOM 1106 CZ TYR A 69 20.694 -42.389 6.186 1.00 34.24 C ATOM 1107 OH TYR A 69 21.360 -43.342 6.923 1.00 60.13 O ATOM 0 H TYR A 69 19.087 -36.808 4.476 1.00 32.10 H new ATOM 0 HA TYR A 69 20.476 -38.913 2.920 1.00 32.14 H new ATOM 0 HB2 TYR A 69 17.934 -38.878 4.537 1.00 62.24 H new ATOM 0 HB3 TYR A 69 18.018 -39.911 3.124 1.00 62.24 H new ATOM 0 HD1 TYR A 69 20.105 -41.516 2.992 1.00 73.44 H new ATOM 0 HD2 TYR A 69 18.774 -39.658 6.589 1.00 23.33 H new ATOM 0 HE1 TYR A 69 21.289 -43.218 4.307 1.00 1.01 H new ATOM 0 HE2 TYR A 69 19.961 -41.357 7.907 1.00 60.10 H new ATOM 0 HH TYR A 69 21.231 -43.166 7.878 1.00 60.13 H new ATOM 1117 N ASP A 70 18.393 -36.634 2.027 1.00 20.02 N ATOM 1118 CA ASP A 70 17.738 -35.994 0.892 1.00 33.31 C ATOM 1119 C ASP A 70 18.556 -34.807 0.392 1.00 24.14 C ATOM 1120 O ASP A 70 18.356 -33.675 0.831 1.00 24.10 O ATOM 1121 CB ASP A 70 16.332 -35.534 1.280 1.00 13.03 C ATOM 1122 CG ASP A 70 15.417 -36.694 1.619 1.00 63.42 C ATOM 1123 OD1 ASP A 70 15.383 -37.098 2.801 1.00 62.25 O1- ATOM 1124 OD2 ASP A 70 14.733 -37.196 0.703 1.00 60.34 O ATOM 0 H ASP A 70 18.429 -36.062 2.871 1.00 20.02 H new ATOM 0 HA ASP A 70 17.663 -36.725 0.087 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.396 -34.863 2.137 1.00 13.03 H new ATOM 0 HB3 ASP A 70 15.900 -34.962 0.459 1.00 13.03 H new ATOM 1129 N GLN A 71 19.477 -35.076 -0.529 1.00 45.13 N ATOM 1130 CA GLN A 71 20.325 -34.029 -1.088 1.00 73.34 C ATOM 1131 C GLN A 71 19.485 -32.880 -1.632 1.00 44.25 C ATOM 1132 O GLN A 71 19.854 -31.713 -1.505 1.00 55.10 O ATOM 1133 CB GLN A 71 21.211 -34.600 -2.196 1.00 71.25 C ATOM 1134 CG GLN A 71 20.431 -35.300 -3.298 1.00 52.44 C ATOM 1135 CD GLN A 71 21.300 -36.223 -4.130 1.00 44.52 C ATOM 1136 OE1 GLN A 71 21.624 -35.919 -5.280 1.00 34.54 O ATOM 1137 NE2 GLN A 71 21.682 -37.356 -3.555 1.00 51.40 N ATOM 0 H GLN A 71 19.655 -36.008 -0.903 1.00 45.13 H new ATOM 0 HA GLN A 71 20.958 -33.643 -0.289 1.00 73.34 H new ATOM 0 HB2 GLN A 71 21.797 -33.792 -2.634 1.00 71.25 H new ATOM 0 HB3 GLN A 71 21.917 -35.305 -1.758 1.00 71.25 H new ATOM 0 HG2 GLN A 71 19.618 -35.874 -2.854 1.00 52.44 H new ATOM 0 HG3 GLN A 71 19.976 -34.552 -3.947 1.00 52.44 H new ATOM 0 HE21 GLN A 71 21.390 -37.567 -2.601 1.00 51.40 H new ATOM 0 HE22 GLN A 71 22.267 -38.016 -4.067 1.00 51.40 H new ATOM 1146 N ARG A 72 18.352 -33.218 -2.241 1.00 4.45 N ATOM 1147 CA ARG A 72 17.459 -32.213 -2.807 1.00 31.14 C ATOM 1148 C ARG A 72 17.034 -31.203 -1.746 1.00 3.13 C ATOM 1149 O ARG A 72 17.023 -29.996 -1.990 1.00 25.45 O ATOM 1150 CB ARG A 72 16.224 -32.882 -3.414 1.00 14.31 C ATOM 1151 CG ARG A 72 15.500 -33.810 -2.453 1.00 43.23 C ATOM 1152 CD ARG A 72 14.396 -34.586 -3.154 1.00 44.31 C ATOM 1153 NE ARG A 72 14.892 -35.820 -3.757 1.00 31.03 N ATOM 1154 CZ ARG A 72 14.106 -36.817 -4.146 1.00 1.35 C ATOM 1155 NH1 ARG A 72 12.791 -36.725 -3.996 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 14.633 -37.907 -4.687 1.00 72.31 N ATOM 0 H ARG A 72 18.031 -34.179 -2.355 1.00 4.45 H new ATOM 0 HA ARG A 72 18.000 -31.683 -3.591 1.00 31.14 H new ATOM 0 HB2 ARG A 72 15.532 -32.110 -3.751 1.00 14.31 H new ATOM 0 HB3 ARG A 72 16.524 -33.448 -4.296 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.213 -34.507 -2.012 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.075 -33.229 -1.635 1.00 43.23 H new ATOM 0 HD2 ARG A 72 13.609 -34.823 -2.438 1.00 44.31 H new ATOM 0 HD3 ARG A 72 13.947 -33.961 -3.926 1.00 44.31 H new ATOM 0 HE ARG A 72 15.899 -35.922 -3.887 1.00 31.03 H new ATOM 0 HH11 ARG A 72 12.382 -35.887 -3.581 1.00 20.14 H new ATOM 0 HH12 ARG A 72 12.189 -37.492 -4.295 1.00 20.14 H new ATOM 0 HH21 ARG A 72 15.644 -37.980 -4.805 1.00 72.31 H new ATOM 0 HH22 ARG A 72 14.028 -38.672 -4.985 1.00 72.31 H new ATOM 1170 N LEU A 73 16.684 -31.706 -0.566 1.00 3.20 N ATOM 1171 CA LEU A 73 16.256 -30.847 0.533 1.00 51.45 C ATOM 1172 C LEU A 73 16.341 -31.587 1.866 1.00 42.22 C ATOM 1173 O LEU A 73 15.694 -32.614 2.057 1.00 32.31 O ATOM 1174 CB LEU A 73 14.826 -30.358 0.300 1.00 24.54 C ATOM 1175 CG LEU A 73 13.745 -31.440 0.262 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.043 -31.538 1.607 1.00 70.54 C ATOM 1177 CD2 LEU A 73 12.742 -31.152 -0.846 1.00 14.14 C ATOM 0 H LEU A 73 16.688 -32.702 -0.347 1.00 3.20 H new ATOM 0 HA LEU A 73 16.925 -29.987 0.570 1.00 51.45 H new ATOM 0 HB2 LEU A 73 14.573 -29.647 1.087 1.00 24.54 H new ATOM 0 HB3 LEU A 73 14.799 -29.812 -0.643 1.00 24.54 H new ATOM 0 HG LEU A 73 14.222 -32.398 0.053 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.277 -32.312 1.562 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.770 -31.791 2.379 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.578 -30.581 1.845 1.00 70.54 H new ATOM 0 HD21 LEU A 73 11.980 -31.931 -0.859 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.270 -30.186 -0.667 1.00 14.14 H new ATOM 0 HD23 LEU A 73 13.257 -31.132 -1.807 1.00 14.14 H new ATOM 1189 N GLU A 74 17.144 -31.053 2.782 1.00 52.14 N ATOM 1190 CA GLU A 74 17.312 -31.663 4.096 1.00 53.33 C ATOM 1191 C GLU A 74 17.941 -30.677 5.077 1.00 31.14 C ATOM 1192 O GLU A 74 18.605 -29.722 4.672 1.00 54.40 O ATOM 1193 CB GLU A 74 18.179 -32.919 3.993 1.00 34.50 C ATOM 1194 CG GLU A 74 18.303 -33.682 5.302 1.00 5.55 C ATOM 1195 CD GLU A 74 19.472 -33.207 6.145 1.00 50.11 C ATOM 1196 OE1 GLU A 74 20.125 -32.219 5.751 1.00 53.23 O ATOM 1197 OE2 GLU A 74 19.730 -33.824 7.198 1.00 54.12 O1- ATOM 0 H GLU A 74 17.687 -30.201 2.639 1.00 52.14 H new ATOM 0 HA GLU A 74 16.326 -31.941 4.468 1.00 53.33 H new ATOM 0 HB2 GLU A 74 17.758 -33.580 3.235 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.175 -32.636 3.651 1.00 34.50 H new ATOM 0 HG2 GLU A 74 17.380 -33.571 5.872 1.00 5.55 H new ATOM 0 HG3 GLU A 74 18.421 -34.745 5.089 1.00 5.55 H new ATOM 1204 N ILE A 75 17.724 -30.914 6.366 1.00 62.14 N ATOM 1205 CA ILE A 75 18.269 -30.047 7.404 1.00 30.31 C ATOM 1206 C ILE A 75 18.753 -30.860 8.600 1.00 75.04 C ATOM 1207 O ILE A 75 18.002 -31.650 9.171 1.00 14.04 O ATOM 1208 CB ILE A 75 17.228 -29.019 7.883 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.776 -28.220 9.067 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.931 -29.718 8.264 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.541 -26.730 8.951 1.00 31.35 C ATOM 0 H ILE A 75 17.175 -31.699 6.717 1.00 62.14 H new ATOM 0 HA ILE A 75 19.113 -29.517 6.962 1.00 30.31 H new ATOM 0 HB ILE A 75 17.020 -28.327 7.067 1.00 50.21 H new ATOM 0 HG12 ILE A 75 17.313 -28.582 9.985 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.847 -28.405 9.155 1.00 4.55 H new ATOM 0 HG21 ILE A 75 15.204 -28.979 8.601 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.535 -30.247 7.397 1.00 62.41 H new ATOM 0 HG23 ILE A 75 16.123 -30.429 9.067 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.955 -26.227 9.825 1.00 31.35 H new ATOM 0 HD12 ILE A 75 18.028 -26.354 8.051 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.470 -26.534 8.893 1.00 31.35 H new ATOM 1223 N SER A 76 20.013 -30.659 8.974 1.00 72.03 N ATOM 1224 CA SER A 76 20.598 -31.374 10.102 1.00 2.32 C ATOM 1225 C SER A 76 19.776 -31.157 11.369 1.00 11.44 C ATOM 1226 O SER A 76 19.361 -30.038 11.667 1.00 13.53 O ATOM 1227 CB SER A 76 22.040 -30.916 10.331 1.00 63.42 C ATOM 1228 OG SER A 76 22.873 -32.008 10.678 1.00 63.00 O ATOM 0 H SER A 76 20.648 -30.007 8.512 1.00 72.03 H new ATOM 0 HA SER A 76 20.595 -32.438 9.866 1.00 2.32 H new ATOM 0 HB2 SER A 76 22.420 -30.437 9.429 1.00 63.42 H new ATOM 0 HB3 SER A 76 22.066 -30.169 11.124 1.00 63.42 H new ATOM 0 HG SER A 76 23.789 -31.689 10.817 1.00 63.00 H new ATOM 1234 N ILE A 77 19.547 -32.237 12.109 1.00 32.21 N ATOM 1235 CA ILE A 77 18.776 -32.165 13.344 1.00 42.24 C ATOM 1236 C ILE A 77 19.295 -31.057 14.253 1.00 3.30 C ATOM 1237 O ILE A 77 18.519 -30.363 14.908 1.00 62.34 O ATOM 1238 CB ILE A 77 18.813 -33.501 14.109 1.00 2.05 C ATOM 1239 CG1 ILE A 77 18.024 -33.389 15.415 1.00 61.14 C ATOM 1240 CG2 ILE A 77 20.251 -33.913 14.387 1.00 44.33 C ATOM 1241 CD1 ILE A 77 16.578 -32.994 15.215 1.00 2.10 C ATOM 0 H ILE A 77 19.884 -33.171 11.875 1.00 32.21 H new ATOM 0 HA ILE A 77 17.746 -31.946 13.061 1.00 42.24 H new ATOM 0 HB ILE A 77 18.348 -34.269 13.491 1.00 2.05 H new ATOM 0 HG12 ILE A 77 18.062 -34.345 15.936 1.00 61.14 H new ATOM 0 HG13 ILE A 77 18.507 -32.655 16.060 1.00 61.14 H new ATOM 0 HG21 ILE A 77 20.260 -34.859 14.928 1.00 44.33 H new ATOM 0 HG22 ILE A 77 20.785 -34.029 13.444 1.00 44.33 H new ATOM 0 HG23 ILE A 77 20.739 -33.146 14.988 1.00 44.33 H new ATOM 0 HD11 ILE A 77 16.080 -32.934 16.183 1.00 2.10 H new ATOM 0 HD12 ILE A 77 16.531 -32.023 14.722 1.00 2.10 H new ATOM 0 HD13 ILE A 77 16.079 -33.740 14.596 1.00 2.10 H new ATOM 1253 N GLU A 78 20.614 -30.896 14.286 1.00 30.11 N ATOM 1254 CA GLU A 78 21.238 -29.871 15.114 1.00 0.34 C ATOM 1255 C GLU A 78 21.001 -28.481 14.530 1.00 42.21 C ATOM 1256 O GLU A 78 20.865 -27.503 15.264 1.00 45.21 O ATOM 1257 CB GLU A 78 22.740 -30.132 15.245 1.00 12.10 C ATOM 1258 CG GLU A 78 23.503 -29.966 13.941 1.00 52.02 C ATOM 1259 CD GLU A 78 24.732 -30.850 13.868 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.617 -32.055 14.173 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 25.810 -30.336 13.503 1.00 44.14 O ATOM 0 H GLU A 78 21.271 -31.462 13.749 1.00 30.11 H new ATOM 0 HA GLU A 78 20.782 -29.913 16.103 1.00 0.34 H new ATOM 0 HB2 GLU A 78 23.155 -29.451 15.988 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.893 -31.144 15.619 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.842 -30.199 13.106 1.00 52.02 H new ATOM 0 HG3 GLU A 78 23.802 -28.924 13.830 1.00 52.02 H new ATOM 1268 N GLU A 79 20.956 -28.403 13.203 1.00 34.12 N ATOM 1269 CA GLU A 79 20.738 -27.133 12.520 1.00 41.22 C ATOM 1270 C GLU A 79 19.407 -26.514 12.937 1.00 73.11 C ATOM 1271 O GLU A 79 19.346 -25.344 13.315 1.00 3.25 O ATOM 1272 CB GLU A 79 20.768 -27.333 11.004 1.00 40.51 C ATOM 1273 CG GLU A 79 20.532 -26.055 10.216 1.00 71.40 C ATOM 1274 CD GLU A 79 21.722 -25.116 10.259 1.00 23.32 C ATOM 1275 OE1 GLU A 79 22.736 -25.414 9.593 1.00 25.22 O ATOM 1276 OE2 GLU A 79 21.640 -24.084 10.958 1.00 73.13 O1- ATOM 0 H GLU A 79 21.067 -29.203 12.581 1.00 34.12 H new ATOM 0 HA GLU A 79 21.541 -26.453 12.805 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.734 -27.752 10.720 1.00 40.51 H new ATOM 0 HB3 GLU A 79 20.010 -28.065 10.728 1.00 40.51 H new ATOM 0 HG2 GLU A 79 20.310 -26.307 9.179 1.00 71.40 H new ATOM 0 HG3 GLU A 79 19.656 -25.544 10.614 1.00 71.40 H new ATOM 1283 N ALA A 80 18.342 -27.306 12.862 1.00 23.40 N ATOM 1284 CA ALA A 80 17.013 -26.837 13.232 1.00 41.12 C ATOM 1285 C ALA A 80 16.996 -26.311 14.663 1.00 13.05 C ATOM 1286 O ALA A 80 16.242 -25.393 14.987 1.00 13.31 O ATOM 1287 CB ALA A 80 15.994 -27.954 13.066 1.00 63.34 C ATOM 0 H ALA A 80 18.374 -28.276 12.548 1.00 23.40 H new ATOM 0 HA ALA A 80 16.746 -26.015 12.567 1.00 41.12 H new ATOM 0 HB1 ALA A 80 15.006 -27.589 13.346 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.979 -28.281 12.026 1.00 63.34 H new ATOM 0 HB3 ALA A 80 16.266 -28.793 13.707 1.00 63.34 H new ATOM 1293 N GLN A 81 17.829 -26.898 15.515 1.00 53.33 N ATOM 1294 CA GLN A 81 17.907 -26.488 16.912 1.00 55.10 C ATOM 1295 C GLN A 81 18.498 -25.088 17.037 1.00 65.05 C ATOM 1296 O GLN A 81 18.212 -24.365 17.991 1.00 13.14 O ATOM 1297 CB GLN A 81 18.750 -27.483 17.711 1.00 55.14 C ATOM 1298 CG GLN A 81 18.149 -28.879 17.772 1.00 15.04 C ATOM 1299 CD GLN A 81 19.104 -29.900 18.358 1.00 74.24 C ATOM 1300 OE1 GLN A 81 20.113 -29.545 18.970 1.00 60.45 O ATOM 1301 NE2 GLN A 81 18.792 -31.177 18.173 1.00 12.11 N ATOM 0 H GLN A 81 18.460 -27.659 15.263 1.00 53.33 H new ATOM 0 HA GLN A 81 16.895 -26.472 17.316 1.00 55.10 H new ATOM 0 HB2 GLN A 81 19.744 -27.543 17.267 1.00 55.14 H new ATOM 0 HB3 GLN A 81 18.877 -27.106 18.726 1.00 55.14 H new ATOM 0 HG2 GLN A 81 17.239 -28.853 18.371 1.00 15.04 H new ATOM 0 HG3 GLN A 81 17.861 -29.191 16.768 1.00 15.04 H new ATOM 0 HE21 GLN A 81 17.946 -31.426 17.660 1.00 12.11 H new ATOM 0 HE22 GLN A 81 19.398 -31.909 18.544 1.00 12.11 H new ATOM 1310 N GLY A 82 19.324 -24.711 16.065 1.00 10.33 N ATOM 1311 CA GLY A 82 19.944 -23.399 16.086 1.00 0.41 C ATOM 1312 C GLY A 82 18.927 -22.280 16.201 1.00 3.45 C ATOM 1313 O GLY A 82 19.192 -21.251 16.824 1.00 20.11 O ATOM 0 H GLY A 82 19.575 -25.291 15.264 1.00 10.33 H new ATOM 0 HA2 GLY A 82 20.639 -23.342 16.924 1.00 0.41 H new ATOM 0 HA3 GLY A 82 20.529 -23.262 15.177 1.00 0.41 H new ATOM 1317 N ILE A 83 17.759 -22.479 15.596 1.00 31.40 N ATOM 1318 CA ILE A 83 16.700 -21.479 15.632 1.00 1.12 C ATOM 1319 C ILE A 83 15.527 -21.951 16.485 1.00 73.35 C ATOM 1320 O ILE A 83 14.758 -21.143 17.004 1.00 13.12 O ATOM 1321 CB ILE A 83 16.192 -21.146 14.218 1.00 1.41 C ATOM 1322 CG1 ILE A 83 15.517 -22.369 13.594 1.00 4.34 C ATOM 1323 CG2 ILE A 83 17.338 -20.662 13.342 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.944 -22.107 12.219 1.00 2.43 C ATOM 0 H ILE A 83 17.524 -23.324 15.075 1.00 31.40 H new ATOM 0 HA ILE A 83 17.129 -20.580 16.075 1.00 1.12 H new ATOM 0 HB ILE A 83 15.456 -20.346 14.292 1.00 1.41 H new ATOM 0 HG12 ILE A 83 16.242 -23.180 13.528 1.00 4.34 H new ATOM 0 HG13 ILE A 83 14.718 -22.709 14.253 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.962 -20.431 12.345 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.778 -19.766 13.781 1.00 22.22 H new ATOM 0 HG23 ILE A 83 18.096 -21.442 13.272 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.481 -23.017 11.838 1.00 2.43 H new ATOM 0 HD12 ILE A 83 14.195 -21.318 12.281 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.743 -21.797 11.545 1.00 2.43 H new ATOM 1336 N HIS A 84 15.397 -23.267 16.625 1.00 63.03 N ATOM 1337 CA HIS A 84 14.319 -23.848 17.417 1.00 54.51 C ATOM 1338 C HIS A 84 14.673 -25.264 17.862 1.00 12.33 C ATOM 1339 O HIS A 84 14.522 -26.231 17.114 1.00 53.42 O ATOM 1340 CB HIS A 84 13.018 -23.863 16.613 1.00 32.52 C ATOM 1341 CG HIS A 84 11.818 -23.452 17.408 1.00 13.05 C ATOM 1342 ND1 HIS A 84 11.643 -23.785 18.734 1.00 42.33 N ATOM 1343 CD2 HIS A 84 10.728 -22.728 17.056 1.00 40.41 C ATOM 1344 CE1 HIS A 84 10.497 -23.286 19.165 1.00 4.32 C ATOM 1345 NE2 HIS A 84 9.924 -22.639 18.165 1.00 13.00 N ATOM 0 H HIS A 84 16.024 -23.950 16.201 1.00 63.03 H new ATOM 0 HA HIS A 84 14.181 -23.231 18.305 1.00 54.51 H new ATOM 0 HB2 HIS A 84 13.122 -23.197 15.757 1.00 32.52 H new ATOM 0 HB3 HIS A 84 12.856 -24.866 16.218 1.00 32.52 H new ATOM 0 HD2 HIS A 84 10.529 -22.301 16.084 1.00 40.41 H new ATOM 0 HE1 HIS A 84 10.098 -23.389 20.163 1.00 4.32 H new ATOM 0 HE2 HIS A 84 9.029 -22.152 18.210 1.00 13.00 H new ATOM 1353 N PRO A 85 15.156 -25.390 19.106 1.00 51.33 N ATOM 1354 CA PRO A 85 15.542 -26.684 19.678 1.00 21.45 C ATOM 1355 C PRO A 85 14.339 -27.580 19.948 1.00 1.12 C ATOM 1356 O PRO A 85 14.491 -28.752 20.294 1.00 55.23 O ATOM 1357 CB PRO A 85 16.229 -26.301 20.991 1.00 54.51 C ATOM 1358 CG PRO A 85 15.644 -24.980 21.353 1.00 23.33 C ATOM 1359 CD PRO A 85 15.362 -24.281 20.052 1.00 35.21 C ATOM 0 HA PRO A 85 16.176 -27.256 19.001 1.00 21.45 H new ATOM 0 HB2 PRO A 85 16.042 -27.043 21.767 1.00 54.51 H new ATOM 0 HB3 PRO A 85 17.310 -26.235 20.868 1.00 54.51 H new ATOM 0 HG2 PRO A 85 14.731 -25.104 21.935 1.00 23.33 H new ATOM 0 HG3 PRO A 85 16.336 -24.401 21.965 1.00 23.33 H new ATOM 0 HD2 PRO A 85 14.481 -23.643 20.121 1.00 35.21 H new ATOM 0 HD3 PRO A 85 16.193 -23.644 19.750 1.00 35.21 H new ATOM 1367 N GLU A 86 13.142 -27.023 19.789 1.00 11.24 N ATOM 1368 CA GLU A 86 11.913 -27.772 20.016 1.00 2.30 C ATOM 1369 C GLU A 86 11.676 -28.782 18.896 1.00 54.33 C ATOM 1370 O GLU A 86 10.903 -29.728 19.051 1.00 72.01 O ATOM 1371 CB GLU A 86 10.720 -26.820 20.121 1.00 32.11 C ATOM 1372 CG GLU A 86 10.634 -26.096 21.453 1.00 10.02 C ATOM 1373 CD GLU A 86 10.271 -27.022 22.598 1.00 32.22 C ATOM 1374 OE1 GLU A 86 9.233 -27.709 22.500 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 11.025 -27.059 23.594 1.00 32.50 O ATOM 0 H GLU A 86 12.998 -26.054 19.503 1.00 11.24 H new ATOM 0 HA GLU A 86 12.018 -28.315 20.955 1.00 2.30 H new ATOM 0 HB2 GLU A 86 10.782 -26.083 19.320 1.00 32.11 H new ATOM 0 HB3 GLU A 86 9.801 -27.384 19.964 1.00 32.11 H new ATOM 0 HG2 GLU A 86 11.591 -25.619 21.666 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.891 -25.302 21.383 1.00 10.02 H new ATOM 1382 N TYR A 87 12.346 -28.573 17.769 1.00 13.33 N ATOM 1383 CA TYR A 87 12.208 -29.461 16.621 1.00 62.40 C ATOM 1384 C TYR A 87 12.627 -30.884 16.980 1.00 30.01 C ATOM 1385 O TYR A 87 13.101 -31.143 18.084 1.00 64.21 O ATOM 1386 CB TYR A 87 13.046 -28.950 15.449 1.00 41.24 C ATOM 1387 CG TYR A 87 12.432 -27.769 14.733 1.00 51.15 C ATOM 1388 CD1 TYR A 87 11.086 -27.767 14.383 1.00 4.14 C ATOM 1389 CD2 TYR A 87 13.194 -26.655 14.405 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.520 -26.690 13.729 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.636 -25.573 13.753 1.00 41.22 C ATOM 1392 CZ TYR A 87 11.299 -25.596 13.417 1.00 73.33 C ATOM 1393 OH TYR A 87 10.739 -24.521 12.765 1.00 33.41 O ATOM 0 H TYR A 87 12.991 -27.796 17.626 1.00 13.33 H new ATOM 0 HA TYR A 87 11.158 -29.474 16.328 1.00 62.40 H new ATOM 0 HB2 TYR A 87 14.033 -28.669 15.815 1.00 41.24 H new ATOM 0 HB3 TYR A 87 13.190 -29.761 14.736 1.00 41.24 H new ATOM 0 HD1 TYR A 87 10.473 -28.622 14.627 1.00 4.14 H new ATOM 0 HD2 TYR A 87 14.242 -26.635 14.665 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.473 -26.705 13.464 1.00 10.23 H new ATOM 0 HE2 TYR A 87 13.243 -24.714 13.508 1.00 41.22 H new ATOM 0 HH TYR A 87 11.207 -23.700 13.025 1.00 33.41 H new ATOM 1403 N MET A 88 12.447 -31.802 16.035 1.00 30.33 N ATOM 1404 CA MET A 88 12.809 -33.198 16.250 1.00 15.53 C ATOM 1405 C MET A 88 12.853 -33.958 14.927 1.00 10.42 C ATOM 1406 O MET A 88 12.093 -33.662 14.005 1.00 24.25 O ATOM 1407 CB MET A 88 11.814 -33.865 17.201 1.00 14.22 C ATOM 1408 CG MET A 88 12.310 -35.182 17.775 1.00 4.24 C ATOM 1409 SD MET A 88 12.482 -35.137 19.569 1.00 21.05 S ATOM 1410 CE MET A 88 14.035 -34.260 19.739 1.00 34.51 C ATOM 0 H MET A 88 12.053 -31.604 15.115 1.00 30.33 H new ATOM 0 HA MET A 88 13.802 -33.225 16.698 1.00 15.53 H new ATOM 0 HB2 MET A 88 11.593 -33.181 18.021 1.00 14.22 H new ATOM 0 HB3 MET A 88 10.878 -34.039 16.670 1.00 14.22 H new ATOM 0 HG2 MET A 88 11.617 -35.977 17.500 1.00 4.24 H new ATOM 0 HG3 MET A 88 13.273 -35.429 17.328 1.00 4.24 H new ATOM 0 HE1 MET A 88 14.278 -34.153 20.796 1.00 34.51 H new ATOM 0 HE2 MET A 88 14.826 -34.820 19.239 1.00 34.51 H new ATOM 0 HE3 MET A 88 13.947 -33.273 19.285 1.00 34.51 H new ATOM 1420 N VAL A 89 13.745 -34.939 14.842 1.00 2.14 N ATOM 1421 CA VAL A 89 13.887 -35.741 13.633 1.00 32.25 C ATOM 1422 C VAL A 89 12.540 -36.292 13.178 1.00 31.51 C ATOM 1423 O VAL A 89 11.846 -36.969 13.935 1.00 22.02 O ATOM 1424 CB VAL A 89 14.861 -36.914 13.849 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.962 -37.763 12.591 1.00 5.33 C ATOM 1426 CG2 VAL A 89 16.231 -36.399 14.265 1.00 64.13 C ATOM 0 H VAL A 89 14.381 -35.198 15.597 1.00 2.14 H new ATOM 0 HA VAL A 89 14.287 -35.083 12.862 1.00 32.25 H new ATOM 0 HB VAL A 89 14.474 -37.541 14.652 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.655 -38.587 12.763 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.979 -38.162 12.341 1.00 5.33 H new ATOM 0 HG13 VAL A 89 15.325 -37.150 11.766 1.00 5.33 H new ATOM 0 HG21 VAL A 89 16.907 -37.241 14.413 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.627 -35.749 13.485 1.00 64.13 H new ATOM 0 HG23 VAL A 89 16.142 -35.837 15.195 1.00 64.13 H new ATOM 1436 N GLY A 90 12.175 -35.995 11.935 1.00 61.31 N ATOM 1437 CA GLY A 90 10.912 -36.468 11.398 1.00 5.34 C ATOM 1438 C GLY A 90 9.948 -35.337 11.102 1.00 73.20 C ATOM 1439 O GLY A 90 8.993 -35.507 10.344 1.00 73.05 O ATOM 0 H GLY A 90 12.732 -35.435 11.289 1.00 61.31 H new ATOM 0 HA2 GLY A 90 11.098 -37.032 10.484 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.453 -37.156 12.109 1.00 5.34 H new ATOM 1443 N ASP A 91 10.196 -34.178 11.703 1.00 14.12 N ATOM 1444 CA ASP A 91 9.341 -33.013 11.500 1.00 22.15 C ATOM 1445 C ASP A 91 9.843 -32.169 10.332 1.00 32.31 C ATOM 1446 O ASP A 91 10.736 -32.581 9.593 1.00 53.31 O ATOM 1447 CB ASP A 91 9.287 -32.165 12.773 1.00 12.13 C ATOM 1448 CG ASP A 91 7.904 -31.605 13.035 1.00 44.21 C ATOM 1449 OD1 ASP A 91 7.032 -32.369 13.499 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.692 -30.401 12.778 1.00 3.14 O ATOM 0 H ASP A 91 10.981 -34.020 12.334 1.00 14.12 H new ATOM 0 HA ASP A 91 8.337 -33.366 11.265 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.598 -32.771 13.624 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.999 -31.344 12.690 1.00 12.13 H new ATOM 1455 N VAL A 92 9.260 -30.985 10.172 1.00 31.51 N ATOM 1456 CA VAL A 92 9.646 -30.082 9.094 1.00 42.33 C ATOM 1457 C VAL A 92 9.844 -28.662 9.612 1.00 75.52 C ATOM 1458 O VAL A 92 9.116 -28.202 10.492 1.00 53.31 O ATOM 1459 CB VAL A 92 8.593 -30.065 7.971 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.668 -31.343 7.149 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.199 -29.875 8.550 1.00 61.45 C ATOM 0 H VAL A 92 8.519 -30.629 10.775 1.00 31.51 H new ATOM 0 HA VAL A 92 10.588 -30.454 8.692 1.00 42.33 H new ATOM 0 HB VAL A 92 8.805 -29.224 7.311 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.916 -31.313 6.360 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.659 -31.431 6.703 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.483 -32.202 7.794 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.468 -29.865 7.742 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.974 -30.694 9.233 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.155 -28.929 9.090 1.00 61.45 H new ATOM 1471 N VAL A 93 10.836 -27.969 9.059 1.00 53.22 N ATOM 1472 CA VAL A 93 11.129 -26.600 9.463 1.00 1.40 C ATOM 1473 C VAL A 93 11.096 -25.655 8.268 1.00 13.54 C ATOM 1474 O VAL A 93 11.622 -25.970 7.201 1.00 42.32 O ATOM 1475 CB VAL A 93 12.507 -26.499 10.146 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.591 -27.070 9.245 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.813 -25.055 10.514 1.00 1.50 C ATOM 0 H VAL A 93 11.449 -28.334 8.330 1.00 53.22 H new ATOM 0 HA VAL A 93 10.357 -26.308 10.174 1.00 1.40 H new ATOM 0 HB VAL A 93 12.484 -27.087 11.064 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.557 -26.991 9.743 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.376 -28.118 9.036 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.618 -26.511 8.309 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.790 -25.001 10.995 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.819 -24.443 9.612 1.00 1.50 H new ATOM 0 HG23 VAL A 93 12.050 -24.685 11.199 1.00 1.50 H new ATOM 1487 N GLU A 94 10.475 -24.495 8.454 1.00 63.33 N ATOM 1488 CA GLU A 94 10.372 -23.503 7.390 1.00 13.04 C ATOM 1489 C GLU A 94 11.240 -22.286 7.695 1.00 14.14 C ATOM 1490 O GLU A 94 11.233 -21.770 8.813 1.00 22.33 O ATOM 1491 CB GLU A 94 8.916 -23.072 7.202 1.00 72.23 C ATOM 1492 CG GLU A 94 8.192 -23.836 6.107 1.00 51.42 C ATOM 1493 CD GLU A 94 7.249 -24.889 6.656 1.00 45.35 C ATOM 1494 OE1 GLU A 94 7.716 -25.765 7.415 1.00 3.23 O ATOM 1495 OE2 GLU A 94 6.045 -24.838 6.328 1.00 11.44 O1- ATOM 0 H GLU A 94 10.035 -24.219 9.332 1.00 63.33 H new ATOM 0 HA GLU A 94 10.729 -23.960 6.467 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.382 -23.207 8.142 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.888 -22.007 6.970 1.00 72.23 H new ATOM 0 HG2 GLU A 94 7.629 -23.135 5.491 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.925 -24.314 5.457 1.00 51.42 H new ATOM 1502 N ILE A 95 11.986 -21.833 6.694 1.00 43.41 N ATOM 1503 CA ILE A 95 12.858 -20.676 6.854 1.00 24.11 C ATOM 1504 C ILE A 95 12.673 -19.683 5.711 1.00 51.42 C ATOM 1505 O ILE A 95 12.474 -20.076 4.563 1.00 43.44 O ATOM 1506 CB ILE A 95 14.340 -21.093 6.921 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.526 -22.237 7.922 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.208 -19.903 7.303 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.397 -23.609 7.299 1.00 4.40 C ATOM 0 H ILE A 95 12.004 -22.249 5.763 1.00 43.41 H new ATOM 0 HA ILE A 95 12.579 -20.200 7.794 1.00 24.11 H new ATOM 0 HB ILE A 95 14.649 -21.443 5.936 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.509 -22.148 8.386 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.788 -22.137 8.718 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.252 -20.213 7.346 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.094 -19.115 6.558 1.00 24.14 H new ATOM 0 HG23 ILE A 95 14.901 -19.527 8.279 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.540 -24.371 8.065 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.405 -23.717 6.860 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.153 -23.729 6.523 1.00 4.40 H new ATOM 1521 N GLU A 96 12.742 -18.396 6.036 1.00 15.41 N ATOM 1522 CA GLU A 96 12.582 -17.348 5.035 1.00 4.20 C ATOM 1523 C GLU A 96 13.531 -17.567 3.860 1.00 3.25 C ATOM 1524 O GLU A 96 14.748 -17.623 4.034 1.00 21.32 O ATOM 1525 CB GLU A 96 12.835 -15.973 5.659 1.00 33.11 C ATOM 1526 CG GLU A 96 14.192 -15.850 6.330 1.00 44.11 C ATOM 1527 CD GLU A 96 14.277 -14.655 7.259 1.00 24.12 C ATOM 1528 OE1 GLU A 96 13.450 -14.566 8.190 1.00 64.34 O ATOM 1529 OE2 GLU A 96 15.173 -13.809 7.056 1.00 23.44 O1- ATOM 0 H GLU A 96 12.907 -18.054 6.983 1.00 15.41 H new ATOM 0 HA GLU A 96 11.558 -17.389 4.665 1.00 4.20 H new ATOM 0 HB2 GLU A 96 12.752 -15.211 4.884 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.056 -15.768 6.393 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.398 -16.760 6.894 1.00 44.11 H new ATOM 0 HG3 GLU A 96 14.965 -15.767 5.566 1.00 44.11 H new ATOM 1536 N VAL A 97 12.964 -17.692 2.665 1.00 52.41 N ATOM 1537 CA VAL A 97 13.758 -17.905 1.460 1.00 41.24 C ATOM 1538 C VAL A 97 13.296 -16.994 0.329 1.00 64.02 C ATOM 1539 O VAL A 97 13.670 -17.183 -0.828 1.00 40.42 O ATOM 1540 CB VAL A 97 13.680 -19.369 0.989 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.339 -19.648 0.327 1.00 41.13 C ATOM 1542 CG2 VAL A 97 14.828 -19.685 0.041 1.00 14.33 C ATOM 0 H VAL A 97 11.958 -17.650 2.505 1.00 52.41 H new ATOM 0 HA VAL A 97 14.791 -17.667 1.715 1.00 41.24 H new ATOM 0 HB VAL A 97 13.769 -20.018 1.861 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.303 -20.688 0.001 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.536 -19.464 1.040 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.216 -18.993 -0.535 1.00 41.13 H new ATOM 0 HG21 VAL A 97 14.758 -20.724 -0.282 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.773 -19.030 -0.828 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.777 -19.528 0.554 1.00 14.33 H new ATOM 1552 N THR A 98 12.480 -16.002 0.671 1.00 74.11 N ATOM 1553 CA THR A 98 11.966 -15.060 -0.315 1.00 21.42 C ATOM 1554 C THR A 98 13.011 -14.008 -0.667 1.00 23.55 C ATOM 1555 O THR A 98 13.737 -13.507 0.192 1.00 72.05 O ATOM 1556 CB THR A 98 10.694 -14.355 0.192 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.091 -13.609 -0.872 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.017 -13.424 1.350 1.00 33.24 C ATOM 0 H THR A 98 12.161 -15.830 1.624 1.00 74.11 H new ATOM 0 HA THR A 98 11.721 -15.637 -1.207 1.00 21.42 H new ATOM 0 HB THR A 98 9.997 -15.117 0.542 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.423 -14.165 -1.324 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.103 -12.937 1.691 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.450 -13.999 2.169 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.730 -12.668 1.021 1.00 33.24 H new ATOM 1566 N PRO A 99 13.092 -13.662 -1.960 1.00 61.42 N ATOM 1567 CA PRO A 99 14.045 -12.665 -2.456 1.00 22.35 C ATOM 1568 C PRO A 99 13.695 -11.252 -1.999 1.00 21.13 C ATOM 1569 O PRO A 99 12.550 -10.968 -1.649 1.00 4.33 O ATOM 1570 CB PRO A 99 13.923 -12.781 -3.977 1.00 33.45 C ATOM 1571 CG PRO A 99 12.552 -13.317 -4.207 1.00 23.31 C ATOM 1572 CD PRO A 99 12.259 -14.219 -3.040 1.00 75.43 C ATOM 0 HA PRO A 99 15.053 -12.844 -2.082 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.056 -11.813 -4.460 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.682 -13.448 -4.385 1.00 33.45 H new ATOM 0 HG2 PRO A 99 11.823 -12.509 -4.269 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.500 -13.866 -5.147 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.201 -14.207 -2.778 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.522 -15.254 -3.257 1.00 75.43 H new ATOM 1580 N LYS A 100 14.689 -10.370 -2.007 1.00 1.34 N ATOM 1581 CA LYS A 100 14.486 -8.985 -1.596 1.00 31.23 C ATOM 1582 C LYS A 100 13.755 -8.198 -2.678 1.00 11.53 C ATOM 1583 O LYS A 100 13.395 -7.038 -2.479 1.00 43.02 O ATOM 1584 CB LYS A 100 15.830 -8.322 -1.286 1.00 14.02 C ATOM 1585 CG LYS A 100 16.751 -8.223 -2.490 1.00 13.24 C ATOM 1586 CD LYS A 100 18.204 -8.078 -2.070 1.00 51.30 C ATOM 1587 CE LYS A 100 19.110 -7.841 -3.268 1.00 60.13 C ATOM 1588 NZ LYS A 100 19.324 -9.086 -4.058 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.643 -10.589 -2.293 1.00 1.34 H new ATOM 0 HA LYS A 100 13.872 -8.985 -0.695 1.00 31.23 H new ATOM 0 HB2 LYS A 100 15.650 -7.321 -0.893 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.332 -8.887 -0.501 1.00 14.02 H new ATOM 0 HG2 LYS A 100 16.638 -9.112 -3.110 1.00 13.24 H new ATOM 0 HG3 LYS A 100 16.461 -7.369 -3.102 1.00 13.24 H new ATOM 0 HD2 LYS A 100 18.300 -7.248 -1.370 1.00 51.30 H new ATOM 0 HD3 LYS A 100 18.523 -8.978 -1.544 1.00 51.30 H new ATOM 0 HE2 LYS A 100 18.672 -7.075 -3.909 1.00 60.13 H new ATOM 0 HE3 LYS A 100 20.072 -7.458 -2.926 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 19.947 -8.882 -4.866 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 19.765 -9.809 -3.454 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 18.409 -9.438 -4.406 1.00 62.04 H new ATOM 1602 N ASP A 101 13.539 -8.836 -3.823 1.00 23.32 N ATOM 1603 CA ASP A 101 12.849 -8.194 -4.937 1.00 41.13 C ATOM 1604 C ASP A 101 11.456 -8.787 -5.126 1.00 43.12 C ATOM 1605 O ASP A 101 10.757 -8.464 -6.087 1.00 15.43 O ATOM 1606 CB ASP A 101 13.661 -8.347 -6.224 1.00 64.01 C ATOM 1607 CG ASP A 101 14.848 -7.407 -6.274 1.00 62.02 C ATOM 1608 OD1 ASP A 101 14.632 -6.178 -6.283 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 15.995 -7.901 -6.306 1.00 12.30 O ATOM 0 H ASP A 101 13.831 -9.796 -4.005 1.00 23.32 H new ATOM 0 HA ASP A 101 12.745 -7.134 -4.706 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.012 -9.376 -6.309 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.016 -8.159 -7.082 1.00 64.01 H new ATOM 1614 N PHE A 102 11.058 -9.657 -4.203 1.00 61.52 N ATOM 1615 CA PHE A 102 9.750 -10.296 -4.269 1.00 41.25 C ATOM 1616 C PHE A 102 8.634 -9.280 -4.044 1.00 61.03 C ATOM 1617 O PHE A 102 7.487 -9.505 -4.424 1.00 73.03 O ATOM 1618 CB PHE A 102 9.652 -11.416 -3.230 1.00 42.23 C ATOM 1619 CG PHE A 102 9.007 -12.667 -3.754 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.461 -13.258 -4.922 1.00 34.02 C ATOM 1621 CD2 PHE A 102 7.947 -13.251 -3.080 1.00 61.34 C ATOM 1622 CE1 PHE A 102 8.869 -14.409 -5.407 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.351 -14.401 -3.560 1.00 54.01 C ATOM 1624 CZ PHE A 102 7.813 -14.982 -4.724 1.00 15.23 C ATOM 0 H PHE A 102 11.623 -9.935 -3.401 1.00 61.52 H new ATOM 0 HA PHE A 102 9.633 -10.722 -5.265 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.653 -11.656 -2.871 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.084 -11.056 -2.372 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.286 -12.815 -5.459 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.582 -12.802 -2.168 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.231 -14.860 -6.319 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.524 -14.845 -3.025 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.350 -15.882 -5.100 1.00 15.23 H new ATOM 1634 N GLY A 103 8.983 -8.157 -3.421 1.00 33.20 N ATOM 1635 CA GLY A 103 8.001 -7.122 -3.155 1.00 14.33 C ATOM 1636 C GLY A 103 7.207 -6.743 -4.389 1.00 14.11 C ATOM 1637 O GLY A 103 5.977 -6.737 -4.366 1.00 52.21 O ATOM 0 H GLY A 103 9.927 -7.947 -3.097 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.317 -7.465 -2.379 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.506 -6.238 -2.766 1.00 14.33 H new ATOM 1641 N ARG A 104 7.913 -6.425 -5.470 1.00 11.41 N ATOM 1642 CA ARG A 104 7.267 -6.041 -6.719 1.00 21.11 C ATOM 1643 C ARG A 104 6.766 -7.269 -7.472 1.00 54.21 C ATOM 1644 O ARG A 104 5.717 -7.230 -8.117 1.00 35.02 O ATOM 1645 CB ARG A 104 8.237 -5.250 -7.598 1.00 50.22 C ATOM 1646 CG ARG A 104 8.780 -3.996 -6.932 1.00 72.45 C ATOM 1647 CD ARG A 104 9.756 -3.264 -7.837 1.00 22.14 C ATOM 1648 NE ARG A 104 11.092 -3.851 -7.791 1.00 50.51 N ATOM 1649 CZ ARG A 104 12.075 -3.509 -8.617 1.00 32.33 C ATOM 1650 NH1 ARG A 104 11.872 -2.588 -9.548 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 13.264 -4.090 -8.513 1.00 63.54 N ATOM 0 H ARG A 104 8.932 -6.426 -5.505 1.00 11.41 H new ATOM 0 HA ARG A 104 6.411 -5.411 -6.477 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.071 -5.895 -7.874 1.00 50.22 H new ATOM 0 HB3 ARG A 104 7.731 -4.970 -8.522 1.00 50.22 H new ATOM 0 HG2 ARG A 104 7.954 -3.333 -6.674 1.00 72.45 H new ATOM 0 HG3 ARG A 104 9.277 -4.264 -6.000 1.00 72.45 H new ATOM 0 HD2 ARG A 104 9.386 -3.286 -8.862 1.00 22.14 H new ATOM 0 HD3 ARG A 104 9.810 -2.217 -7.540 1.00 22.14 H new ATOM 0 HE ARG A 104 11.281 -4.563 -7.086 1.00 50.51 H new ATOM 0 HH11 ARG A 104 10.960 -2.140 -9.632 1.00 65.42 H new ATOM 0 HH12 ARG A 104 12.628 -2.327 -10.181 1.00 65.42 H new ATOM 0 HH21 ARG A 104 13.424 -4.800 -7.798 1.00 63.54 H new ATOM 0 HH22 ARG A 104 14.018 -3.826 -9.148 1.00 63.54 H new ATOM 1665 N ILE A 105 7.522 -8.358 -7.387 1.00 74.15 N ATOM 1666 CA ILE A 105 7.155 -9.599 -8.060 1.00 51.42 C ATOM 1667 C ILE A 105 5.791 -10.094 -7.593 1.00 31.22 C ATOM 1668 O ILE A 105 4.983 -10.565 -8.393 1.00 32.23 O ATOM 1669 CB ILE A 105 8.201 -10.703 -7.817 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.573 -10.256 -8.325 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.773 -11.995 -8.496 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.713 -11.111 -7.818 1.00 51.01 C ATOM 0 H ILE A 105 8.393 -8.407 -6.859 1.00 74.15 H new ATOM 0 HA ILE A 105 7.114 -9.379 -9.127 1.00 51.42 H new ATOM 0 HB ILE A 105 8.274 -10.886 -6.745 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.572 -10.275 -9.415 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.743 -9.222 -8.025 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.522 -12.766 -8.316 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.814 -12.319 -8.091 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.676 -11.827 -9.569 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.655 -10.736 -8.218 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.740 -11.072 -6.729 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.566 -12.142 -8.141 1.00 51.01 H new ATOM 1684 N ALA A 106 5.540 -9.982 -6.293 1.00 52.13 N ATOM 1685 CA ALA A 106 4.272 -10.415 -5.719 1.00 0.32 C ATOM 1686 C ALA A 106 3.093 -9.777 -6.448 1.00 11.13 C ATOM 1687 O ALA A 106 2.112 -10.448 -6.767 1.00 42.22 O ATOM 1688 CB ALA A 106 4.222 -10.079 -4.236 1.00 60.32 C ATOM 0 H ALA A 106 6.198 -9.595 -5.617 1.00 52.13 H new ATOM 0 HA ALA A 106 4.198 -11.496 -5.838 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.270 -10.408 -3.820 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.038 -10.586 -3.720 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.323 -9.002 -4.103 1.00 60.32 H new ATOM 1694 N ALA A 107 3.196 -8.478 -6.708 1.00 54.24 N ATOM 1695 CA ALA A 107 2.140 -7.751 -7.400 1.00 40.42 C ATOM 1696 C ALA A 107 2.106 -8.110 -8.882 1.00 61.51 C ATOM 1697 O ALA A 107 1.049 -8.421 -9.429 1.00 62.23 O ATOM 1698 CB ALA A 107 2.327 -6.252 -7.222 1.00 41.43 C ATOM 0 H ALA A 107 4.001 -7.907 -6.449 1.00 54.24 H new ATOM 0 HA ALA A 107 1.185 -8.041 -6.961 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.531 -5.721 -7.744 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.293 -6.005 -6.161 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.292 -5.954 -7.633 1.00 41.43 H new ATOM 1704 N GLN A 108 3.269 -8.064 -9.523 1.00 63.24 N ATOM 1705 CA GLN A 108 3.371 -8.383 -10.943 1.00 24.31 C ATOM 1706 C GLN A 108 2.770 -9.754 -11.236 1.00 33.31 C ATOM 1707 O GLN A 108 2.218 -9.985 -12.313 1.00 5.33 O ATOM 1708 CB GLN A 108 4.833 -8.347 -11.391 1.00 74.24 C ATOM 1709 CG GLN A 108 5.043 -8.829 -12.818 1.00 10.13 C ATOM 1710 CD GLN A 108 6.504 -8.832 -13.223 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.391 -8.627 -12.393 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.763 -9.068 -14.503 1.00 30.20 N ATOM 0 H GLN A 108 4.153 -7.809 -9.083 1.00 63.24 H new ATOM 0 HA GLN A 108 2.809 -7.633 -11.500 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.207 -7.327 -11.302 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.427 -8.964 -10.717 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.639 -9.836 -12.921 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.482 -8.190 -13.500 1.00 10.13 H new ATOM 0 HE21 GLN A 108 5.997 -9.233 -15.156 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.728 -9.085 -14.833 1.00 30.20 H new ATOM 1721 N THR A 109 2.881 -10.663 -10.272 1.00 14.35 N ATOM 1722 CA THR A 109 2.350 -12.011 -10.428 1.00 1.22 C ATOM 1723 C THR A 109 0.873 -12.067 -10.054 1.00 5.53 C ATOM 1724 O THR A 109 0.127 -12.903 -10.562 1.00 22.25 O ATOM 1725 CB THR A 109 3.125 -13.023 -9.564 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.532 -12.778 -9.665 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.822 -14.449 -9.998 1.00 43.12 C ATOM 0 H THR A 109 3.334 -10.490 -9.375 1.00 14.35 H new ATOM 0 HA THR A 109 2.466 -12.277 -11.479 1.00 1.22 H new ATOM 0 HB THR A 109 2.808 -12.900 -8.528 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.776 -12.029 -9.082 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.381 -15.146 -9.373 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.755 -14.642 -9.892 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.113 -14.582 -11.040 1.00 43.12 H new ATOM 1735 N ALA A 110 0.458 -11.172 -9.164 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.930 -11.118 -8.725 1.00 65.20 C ATOM 1737 C ALA A 110 -1.819 -10.488 -9.791 1.00 34.15 C ATOM 1738 O ALA A 110 -2.980 -10.868 -9.950 1.00 63.40 O ATOM 1739 CB ALA A 110 -1.041 -10.345 -7.418 1.00 42.13 C ATOM 0 H ALA A 110 1.064 -10.474 -8.733 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.273 -12.140 -8.561 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -2.084 -10.313 -7.102 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.444 -10.839 -6.651 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.674 -9.329 -7.564 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.268 -9.523 -10.520 1.00 4.43 N ATOM 1746 CA LYS A 111 -2.011 -8.840 -11.573 1.00 13.33 C ATOM 1747 C LYS A 111 -2.263 -9.773 -12.754 1.00 33.32 C ATOM 1748 O LYS A 111 -3.308 -9.701 -13.399 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.246 -7.602 -12.043 1.00 20.42 C ATOM 1750 CG LYS A 111 0.193 -7.887 -12.436 1.00 74.20 C ATOM 1751 CD LYS A 111 0.651 -6.986 -13.570 1.00 34.11 C ATOM 1752 CE LYS A 111 2.076 -7.306 -13.995 1.00 74.34 C ATOM 1753 NZ LYS A 111 2.362 -6.836 -15.379 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.309 -9.196 -10.401 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.973 -8.532 -11.164 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.767 -7.166 -12.895 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.255 -6.856 -11.248 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.842 -7.744 -11.572 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.289 -8.930 -12.738 1.00 74.20 H new ATOM 0 HD2 LYS A 111 -0.019 -7.103 -14.422 1.00 34.11 H new ATOM 0 HD3 LYS A 111 0.589 -5.944 -13.256 1.00 34.11 H new ATOM 0 HE2 LYS A 111 2.775 -6.839 -13.301 1.00 74.34 H new ATOM 0 HE3 LYS A 111 2.239 -8.382 -13.936 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 3.343 -7.073 -15.630 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 1.712 -7.301 -16.045 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 2.231 -5.806 -15.430 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.300 -10.647 -13.028 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.420 -11.593 -14.130 1.00 10.21 C ATOM 1769 C GLN A 112 -2.362 -12.737 -13.767 1.00 0.31 C ATOM 1770 O GLN A 112 -3.058 -13.279 -14.626 1.00 14.34 O ATOM 1771 CB GLN A 112 -0.046 -12.150 -14.505 1.00 41.41 C ATOM 1772 CG GLN A 112 0.680 -12.810 -13.343 1.00 33.01 C ATOM 1773 CD GLN A 112 2.025 -13.384 -13.746 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.290 -14.571 -13.548 1.00 53.14 O ATOM 1775 NE2 GLN A 112 2.881 -12.545 -14.315 1.00 73.33 N ATOM 0 H GLN A 112 -0.429 -10.719 -12.502 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.835 -11.062 -14.986 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.165 -12.877 -15.309 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.571 -11.341 -14.896 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.825 -12.079 -12.548 1.00 33.01 H new ATOM 0 HG3 GLN A 112 0.057 -13.606 -12.935 1.00 33.01 H new ATOM 0 HE21 GLN A 112 2.619 -11.570 -14.460 1.00 73.33 H new ATOM 0 HE22 GLN A 112 3.801 -12.875 -14.608 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.380 -13.098 -12.487 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.237 -14.176 -12.010 1.00 53.54 C ATOM 1786 C VAL A 113 -4.696 -13.737 -11.960 1.00 33.44 C ATOM 1787 O VAL A 113 -5.568 -14.376 -12.549 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.809 -14.656 -10.610 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.909 -15.489 -9.971 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.510 -15.443 -10.691 1.00 71.43 C ATOM 0 H VAL A 113 -1.811 -12.659 -11.763 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.132 -14.999 -12.716 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.638 -13.782 -9.982 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.588 -15.819 -8.983 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.813 -14.887 -9.877 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.116 -16.359 -10.595 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.222 -15.774 -9.693 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.650 -16.311 -11.335 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.725 -14.808 -11.103 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.955 -12.642 -11.254 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.309 -12.115 -11.128 1.00 44.31 C ATOM 1802 C VAL A 114 -6.926 -11.852 -12.497 1.00 24.40 C ATOM 1803 O VAL A 114 -8.122 -12.061 -12.703 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.330 -10.811 -10.309 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.881 -11.071 -8.878 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.455 -9.754 -10.967 1.00 62.43 C ATOM 0 H VAL A 114 -4.245 -12.102 -10.760 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.896 -12.872 -10.607 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.353 -10.437 -10.281 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.902 -10.138 -8.315 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.552 -11.792 -8.411 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.866 -11.469 -8.882 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.482 -8.839 -10.375 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.429 -10.117 -11.028 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.827 -9.547 -11.971 1.00 62.43 H new ATOM 1816 N THR A 115 -6.101 -11.392 -13.433 1.00 11.13 N ATOM 1817 CA THR A 115 -6.565 -11.100 -14.784 1.00 33.11 C ATOM 1818 C THR A 115 -6.882 -12.382 -15.545 1.00 25.41 C ATOM 1819 O THR A 115 -7.746 -12.396 -16.421 1.00 0.53 O ATOM 1820 CB THR A 115 -5.519 -10.291 -15.574 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.289 -9.031 -14.934 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.981 -10.063 -17.006 1.00 72.31 C ATOM 0 H THR A 115 -5.108 -11.214 -13.280 1.00 11.13 H new ATOM 0 HA THR A 115 -7.474 -10.506 -14.686 1.00 33.11 H new ATOM 0 HB THR A 115 -4.590 -10.861 -15.595 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.462 -9.076 -14.410 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.227 -9.490 -17.545 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.127 -11.024 -17.499 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.921 -9.511 -17.002 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.177 -13.457 -15.205 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.384 -14.743 -15.859 1.00 54.01 C ATOM 1832 C GLN A 116 -7.705 -15.369 -15.423 1.00 61.15 C ATOM 1833 O GLN A 116 -8.496 -15.816 -16.254 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.227 -15.692 -15.542 1.00 65.13 C ATOM 1835 CG GLN A 116 -3.997 -15.462 -16.405 1.00 43.44 C ATOM 1836 CD GLN A 116 -2.745 -16.075 -15.811 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -2.812 -17.057 -15.071 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -1.593 -15.498 -16.133 1.00 23.42 N ATOM 0 H GLN A 116 -5.458 -13.462 -14.481 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.421 -14.573 -16.935 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -4.951 -15.578 -14.494 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.565 -16.720 -15.673 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.169 -15.884 -17.395 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.845 -14.391 -16.537 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -1.584 -14.686 -16.750 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -0.717 -15.867 -15.763 1.00 23.42 H new ATOM 1847 N ARG A 117 -7.937 -15.397 -14.114 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.162 -15.969 -13.567 1.00 0.51 C ATOM 1849 C ARG A 117 -10.392 -15.291 -14.162 1.00 2.44 C ATOM 1850 O ARG A 117 -11.457 -15.898 -14.273 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.177 -15.833 -12.044 1.00 31.12 C ATOM 1852 CG ARG A 117 -7.943 -16.406 -11.369 1.00 40.43 C ATOM 1853 CD ARG A 117 -7.859 -17.914 -11.547 1.00 72.54 C ATOM 1854 NE ARG A 117 -6.507 -18.417 -11.318 1.00 64.15 N ATOM 1855 CZ ARG A 117 -6.218 -19.706 -11.169 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -7.181 -20.615 -11.225 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -4.963 -20.086 -10.963 1.00 63.20 N ATOM 0 H ARG A 117 -7.293 -15.030 -13.413 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.189 -17.026 -13.831 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.267 -14.779 -11.783 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.061 -16.335 -11.652 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.050 -15.939 -11.785 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -7.963 -16.165 -10.306 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.548 -18.400 -10.856 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -8.178 -18.179 -12.555 1.00 72.54 H new ATOM 0 HE ARG A 117 -5.743 -17.743 -11.270 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -8.146 -20.326 -11.383 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -6.957 -21.603 -11.110 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -4.220 -19.389 -10.919 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -4.742 -21.075 -10.849 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.238 -14.026 -14.545 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.335 -13.265 -15.129 1.00 4.21 C ATOM 1873 C VAL A 118 -11.862 -13.940 -16.390 1.00 14.31 C ATOM 1874 O VAL A 118 -13.064 -13.924 -16.659 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.901 -11.827 -15.472 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -12.051 -11.058 -16.102 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.390 -11.115 -14.229 1.00 2.43 C ATOM 0 H VAL A 118 -9.363 -13.508 -14.461 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.128 -13.228 -14.382 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.088 -11.874 -16.196 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.725 -10.045 -16.337 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.366 -11.560 -17.017 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.887 -11.018 -15.404 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -10.088 -10.101 -14.489 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.181 -11.077 -13.480 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.534 -11.656 -13.825 1.00 2.43 H new