USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 132 CYS SG : rot 120:sc= -2.81! USER MOD Set 2.1: A 123 TYR OH : rot 30:sc= 0.935 USER MOD Set 2.2: A 138 LYS NZ :NH3+ -158:sc= 2.03 (180deg=1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -72:sc= 1.32 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 1.3 (180deg=1.03) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 38 SER OG : rot 34:sc= 0.399 USER MOD Single : A 40 ASN : amide:sc= -1.49 K(o=-1.5,f=-6.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.3!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.135 K(o=-0.14,f=-0.95) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.76 K(o=0.76,f=-6.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.694 K(o=-0.69,f=-2.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0912 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00854 USER MOD Single : A 70 GLN : amide:sc= -0.705 K(o=-0.71,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.744 X(o=-0.74,f=-0.29) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= 1.98 (180deg=0.655) USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.11) USER MOD Single : A 104 LYS NZ :NH3+ 154:sc= -0.092 (180deg=-1.05!) USER MOD Single : A 105 SER OG : rot -166:sc= 0.971 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0.154 USER MOD Single : A 135 HIS : no HE2:sc= 0.00365 X(o=0.0037,f=-0.063) USER MOD Single : A 136 SER OG : rot 19:sc= 1.14 USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot -10:sc= 1.03 USER MOD Single : A 143 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -18.704 11.373 11.826 1.00 51.55 N ATOM 61 CA ASP A 18 -17.617 10.901 12.675 1.00 51.52 C ATOM 62 C ASP A 18 -17.911 9.512 13.176 1.00 24.52 C ATOM 63 O ASP A 18 -17.061 8.629 13.131 1.00 10.50 O ATOM 64 CB ASP A 18 -17.471 11.829 13.854 1.00 52.24 C ATOM 65 CG ASP A 18 -16.373 11.435 14.797 1.00 32.41 C ATOM 66 OD1 ASP A 18 -16.669 10.981 15.925 1.00 34.45 O ATOM 67 OD2 ASP A 18 -15.191 11.594 14.440 1.00 73.14 O ATOM 0 HA ASP A 18 -16.695 10.883 12.094 1.00 51.52 H new ATOM 0 HB2 ASP A 18 -17.281 12.838 13.490 1.00 52.24 H new ATOM 0 HB3 ASP A 18 -18.414 11.860 14.400 1.00 52.24 H new ATOM 72 N LEU A 19 -19.133 9.328 13.614 1.00 4.23 N ATOM 73 CA LEU A 19 -19.608 8.059 14.124 1.00 2.24 C ATOM 74 C LEU A 19 -19.600 7.016 13.000 1.00 70.34 C ATOM 75 O LEU A 19 -19.207 5.845 13.198 1.00 63.21 O ATOM 76 CB LEU A 19 -21.020 8.272 14.764 1.00 44.25 C ATOM 77 CG LEU A 19 -21.779 7.060 15.372 1.00 63.11 C ATOM 78 CD1 LEU A 19 -22.449 6.207 14.305 1.00 73.41 C ATOM 79 CD2 LEU A 19 -20.851 6.214 16.237 1.00 65.43 C ATOM 0 H LEU A 19 -19.838 10.065 13.627 1.00 4.23 H new ATOM 0 HA LEU A 19 -18.951 7.675 14.905 1.00 2.24 H new ATOM 0 HB2 LEU A 19 -20.912 9.017 15.552 1.00 44.25 H new ATOM 0 HB3 LEU A 19 -21.662 8.708 13.999 1.00 44.25 H new ATOM 0 HG LEU A 19 -22.570 7.464 16.004 1.00 63.11 H new ATOM 0 HD11 LEU A 19 -22.967 5.373 14.778 1.00 73.41 H new ATOM 0 HD12 LEU A 19 -23.167 6.813 13.753 1.00 73.41 H new ATOM 0 HD13 LEU A 19 -21.694 5.823 13.619 1.00 73.41 H new ATOM 0 HD21 LEU A 19 -21.406 5.372 16.651 1.00 65.43 H new ATOM 0 HD22 LEU A 19 -20.026 5.841 15.629 1.00 65.43 H new ATOM 0 HD23 LEU A 19 -20.456 6.823 17.050 1.00 65.43 H new ATOM 91 N ASP A 20 -19.953 7.457 11.829 1.00 65.31 N ATOM 92 CA ASP A 20 -20.039 6.587 10.670 1.00 74.53 C ATOM 93 C ASP A 20 -18.645 6.143 10.254 1.00 50.52 C ATOM 94 O ASP A 20 -18.378 4.949 10.082 1.00 70.20 O ATOM 95 CB ASP A 20 -20.731 7.320 9.518 1.00 61.11 C ATOM 96 CG ASP A 20 -21.087 6.424 8.357 1.00 42.24 C ATOM 97 OD1 ASP A 20 -22.271 6.024 8.246 1.00 54.42 O ATOM 98 OD2 ASP A 20 -20.227 6.132 7.517 1.00 32.20 O ATOM 0 H ASP A 20 -20.192 8.430 11.639 1.00 65.31 H new ATOM 0 HA ASP A 20 -20.626 5.705 10.925 1.00 74.53 H new ATOM 0 HB2 ASP A 20 -21.639 7.793 9.893 1.00 61.11 H new ATOM 0 HB3 ASP A 20 -20.079 8.118 9.163 1.00 61.11 H new ATOM 103 N VAL A 21 -17.739 7.095 10.167 1.00 71.24 N ATOM 104 CA VAL A 21 -16.388 6.813 9.732 1.00 63.01 C ATOM 105 C VAL A 21 -15.584 6.050 10.779 1.00 54.14 C ATOM 106 O VAL A 21 -14.736 5.229 10.427 1.00 72.25 O ATOM 107 CB VAL A 21 -15.625 8.072 9.249 1.00 13.02 C ATOM 108 CG1 VAL A 21 -16.423 8.766 8.178 1.00 2.30 C ATOM 109 CG2 VAL A 21 -15.313 9.034 10.384 1.00 33.20 C ATOM 0 H VAL A 21 -17.915 8.074 10.393 1.00 71.24 H new ATOM 0 HA VAL A 21 -16.499 6.162 8.865 1.00 63.01 H new ATOM 0 HB VAL A 21 -14.668 7.743 8.843 1.00 13.02 H new ATOM 0 HG11 VAL A 21 -15.885 9.651 7.839 1.00 2.30 H new ATOM 0 HG12 VAL A 21 -16.571 8.088 7.338 1.00 2.30 H new ATOM 0 HG13 VAL A 21 -17.392 9.062 8.580 1.00 2.30 H new ATOM 0 HG21 VAL A 21 -14.778 9.899 9.991 1.00 33.20 H new ATOM 0 HG22 VAL A 21 -16.243 9.363 10.848 1.00 33.20 H new ATOM 0 HG23 VAL A 21 -14.694 8.531 11.127 1.00 33.20 H new ATOM 119 N LYS A 22 -15.854 6.287 12.064 1.00 12.51 N ATOM 120 CA LYS A 22 -15.159 5.537 13.095 1.00 14.40 C ATOM 121 C LYS A 22 -15.684 4.115 13.095 1.00 42.31 C ATOM 122 O LYS A 22 -14.934 3.175 13.314 1.00 55.21 O ATOM 123 CB LYS A 22 -15.289 6.184 14.493 1.00 44.22 C ATOM 124 CG LYS A 22 -16.688 6.143 15.088 1.00 5.52 C ATOM 125 CD LYS A 22 -16.801 6.949 16.372 1.00 44.45 C ATOM 126 CE LYS A 22 -15.904 6.417 17.477 1.00 63.42 C ATOM 127 NZ LYS A 22 -16.062 7.201 18.711 1.00 1.54 N ATOM 0 H LYS A 22 -16.529 6.972 12.403 1.00 12.51 H new ATOM 0 HA LYS A 22 -14.093 5.541 12.867 1.00 14.40 H new ATOM 0 HB2 LYS A 22 -14.604 5.681 15.176 1.00 44.22 H new ATOM 0 HB3 LYS A 22 -14.968 7.223 14.428 1.00 44.22 H new ATOM 0 HG2 LYS A 22 -17.401 6.527 14.358 1.00 5.52 H new ATOM 0 HG3 LYS A 22 -16.964 5.108 15.288 1.00 5.52 H new ATOM 0 HD2 LYS A 22 -16.543 7.988 16.168 1.00 44.45 H new ATOM 0 HD3 LYS A 22 -17.836 6.939 16.713 1.00 44.45 H new ATOM 0 HE2 LYS A 22 -16.144 5.372 17.673 1.00 63.42 H new ATOM 0 HE3 LYS A 22 -14.864 6.449 17.153 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 -15.438 6.816 19.449 1.00 1.54 H new ATOM 0 HZ2 LYS A 22 -15.810 8.193 18.527 1.00 1.54 H new ATOM 0 HZ3 LYS A 22 -17.050 7.149 19.031 1.00 1.54 H new ATOM 141 N GLY A 23 -16.981 3.964 12.782 1.00 51.33 N ATOM 142 CA GLY A 23 -17.569 2.648 12.697 1.00 63.10 C ATOM 143 C GLY A 23 -16.988 1.875 11.540 1.00 72.13 C ATOM 144 O GLY A 23 -16.744 0.675 11.646 1.00 60.42 O ATOM 0 H GLY A 23 -17.622 4.734 12.589 1.00 51.33 H new ATOM 0 HA2 GLY A 23 -17.394 2.106 13.626 1.00 63.10 H new ATOM 0 HA3 GLY A 23 -18.649 2.734 12.577 1.00 63.10 H new ATOM 148 N LEU A 24 -16.742 2.589 10.454 1.00 72.24 N ATOM 149 CA LEU A 24 -16.166 2.064 9.247 1.00 74.21 C ATOM 150 C LEU A 24 -14.717 1.632 9.503 1.00 74.34 C ATOM 151 O LEU A 24 -14.326 0.508 9.169 1.00 74.12 O ATOM 152 CB LEU A 24 -16.215 3.179 8.192 1.00 41.41 C ATOM 153 CG LEU A 24 -15.688 2.858 6.814 1.00 63.31 C ATOM 154 CD1 LEU A 24 -16.645 1.949 6.061 1.00 1.50 C ATOM 155 CD2 LEU A 24 -15.380 4.130 6.025 1.00 13.24 C ATOM 0 H LEU A 24 -16.949 3.586 10.396 1.00 72.24 H new ATOM 0 HA LEU A 24 -16.719 1.190 8.902 1.00 74.21 H new ATOM 0 HB2 LEU A 24 -17.252 3.500 8.089 1.00 41.41 H new ATOM 0 HB3 LEU A 24 -15.654 4.031 8.577 1.00 41.41 H new ATOM 0 HG LEU A 24 -14.749 2.318 6.934 1.00 63.31 H new ATOM 0 HD11 LEU A 24 -16.240 1.734 5.072 1.00 1.50 H new ATOM 0 HD12 LEU A 24 -16.771 1.017 6.612 1.00 1.50 H new ATOM 0 HD13 LEU A 24 -17.611 2.443 5.958 1.00 1.50 H new ATOM 0 HD21 LEU A 24 -15.003 3.863 5.038 1.00 13.24 H new ATOM 0 HD22 LEU A 24 -16.290 4.721 5.918 1.00 13.24 H new ATOM 0 HD23 LEU A 24 -14.628 4.714 6.555 1.00 13.24 H new ATOM 167 N GLY A 25 -13.938 2.527 10.106 1.00 5.12 N ATOM 168 CA GLY A 25 -12.550 2.236 10.417 1.00 12.51 C ATOM 169 C GLY A 25 -12.421 1.057 11.354 1.00 72.55 C ATOM 170 O GLY A 25 -11.593 0.154 11.130 1.00 61.13 O ATOM 0 H GLY A 25 -14.248 3.457 10.387 1.00 5.12 H new ATOM 0 HA2 GLY A 25 -12.006 2.029 9.495 1.00 12.51 H new ATOM 0 HA3 GLY A 25 -12.087 3.113 10.870 1.00 12.51 H new ATOM 174 N TYR A 26 -13.262 1.043 12.380 1.00 63.33 N ATOM 175 CA TYR A 26 -13.276 -0.029 13.339 1.00 31.43 C ATOM 176 C TYR A 26 -13.664 -1.332 12.671 1.00 72.33 C ATOM 177 O TYR A 26 -13.041 -2.349 12.916 1.00 10.12 O ATOM 178 CB TYR A 26 -14.233 0.274 14.510 1.00 21.24 C ATOM 179 CG TYR A 26 -14.309 -0.837 15.547 1.00 25.02 C ATOM 180 CD1 TYR A 26 -15.306 -1.806 15.490 1.00 12.42 C ATOM 181 CD2 TYR A 26 -13.374 -0.924 16.566 1.00 3.14 C ATOM 182 CE1 TYR A 26 -15.363 -2.825 16.414 1.00 22.13 C ATOM 183 CE2 TYR A 26 -13.429 -1.941 17.499 1.00 73.55 C ATOM 184 CZ TYR A 26 -14.424 -2.889 17.417 1.00 44.14 C ATOM 185 OH TYR A 26 -14.480 -3.911 18.343 1.00 41.12 O ATOM 0 H TYR A 26 -13.947 1.776 12.561 1.00 63.33 H new ATOM 0 HA TYR A 26 -12.268 -0.124 13.744 1.00 31.43 H new ATOM 0 HB2 TYR A 26 -13.913 1.194 15.000 1.00 21.24 H new ATOM 0 HB3 TYR A 26 -15.232 0.456 14.113 1.00 21.24 H new ATOM 0 HD1 TYR A 26 -16.048 -1.758 14.707 1.00 12.42 H new ATOM 0 HD2 TYR A 26 -12.590 -0.185 16.632 1.00 3.14 H new ATOM 0 HE1 TYR A 26 -16.142 -3.571 16.352 1.00 22.13 H new ATOM 0 HE2 TYR A 26 -12.695 -1.992 18.289 1.00 73.55 H new ATOM 0 HH TYR A 26 -13.745 -3.813 18.984 1.00 41.12 H new ATOM 195 N ASP A 27 -14.669 -1.283 11.795 1.00 72.14 N ATOM 196 CA ASP A 27 -15.179 -2.485 11.147 1.00 52.33 C ATOM 197 C ASP A 27 -14.122 -3.114 10.279 1.00 64.31 C ATOM 198 O ASP A 27 -13.925 -4.322 10.312 1.00 34.40 O ATOM 199 CB ASP A 27 -16.437 -2.191 10.336 1.00 61.01 C ATOM 200 CG ASP A 27 -17.090 -3.443 9.807 1.00 71.31 C ATOM 201 OD1 ASP A 27 -17.346 -4.382 10.611 1.00 3.33 O ATOM 202 OD2 ASP A 27 -17.447 -3.487 8.616 1.00 32.51 O ATOM 0 H ASP A 27 -15.143 -0.423 11.520 1.00 72.14 H new ATOM 0 HA ASP A 27 -15.447 -3.193 11.931 1.00 52.33 H new ATOM 0 HB2 ASP A 27 -17.149 -1.650 10.959 1.00 61.01 H new ATOM 0 HB3 ASP A 27 -16.183 -1.538 9.501 1.00 61.01 H new ATOM 207 N PHE A 28 -13.402 -2.270 9.564 1.00 24.24 N ATOM 208 CA PHE A 28 -12.318 -2.685 8.703 1.00 44.14 C ATOM 209 C PHE A 28 -11.223 -3.351 9.526 1.00 20.32 C ATOM 210 O PHE A 28 -10.845 -4.487 9.261 1.00 11.34 O ATOM 211 CB PHE A 28 -11.789 -1.454 7.957 1.00 14.11 C ATOM 212 CG PHE A 28 -10.490 -1.616 7.219 1.00 0.22 C ATOM 213 CD1 PHE A 28 -10.446 -2.006 5.887 1.00 2.01 C ATOM 214 CD2 PHE A 28 -9.308 -1.322 7.861 1.00 41.23 C ATOM 215 CE1 PHE A 28 -9.237 -2.093 5.223 1.00 23.33 C ATOM 216 CE2 PHE A 28 -8.107 -1.417 7.207 1.00 62.11 C ATOM 217 CZ PHE A 28 -8.068 -1.799 5.884 1.00 64.31 C ATOM 0 H PHE A 28 -13.559 -1.262 9.567 1.00 24.24 H new ATOM 0 HA PHE A 28 -12.670 -3.416 7.975 1.00 44.14 H new ATOM 0 HB2 PHE A 28 -12.549 -1.137 7.242 1.00 14.11 H new ATOM 0 HB3 PHE A 28 -11.672 -0.644 8.677 1.00 14.11 H new ATOM 0 HD1 PHE A 28 -11.362 -2.243 5.367 1.00 2.01 H new ATOM 0 HD2 PHE A 28 -9.327 -1.012 8.895 1.00 41.23 H new ATOM 0 HE1 PHE A 28 -9.211 -2.392 4.185 1.00 23.33 H new ATOM 0 HE2 PHE A 28 -7.189 -1.192 7.730 1.00 62.11 H new ATOM 0 HZ PHE A 28 -7.122 -1.867 5.368 1.00 64.31 H new ATOM 227 N ILE A 29 -10.750 -2.658 10.542 1.00 5.33 N ATOM 228 CA ILE A 29 -9.695 -3.183 11.384 1.00 13.14 C ATOM 229 C ILE A 29 -10.130 -4.441 12.113 1.00 55.32 C ATOM 230 O ILE A 29 -9.362 -5.406 12.204 1.00 51.31 O ATOM 231 CB ILE A 29 -9.110 -2.095 12.333 1.00 23.24 C ATOM 232 CG1 ILE A 29 -8.169 -1.157 11.556 1.00 41.25 C ATOM 233 CG2 ILE A 29 -8.415 -2.671 13.574 1.00 24.33 C ATOM 234 CD1 ILE A 29 -7.015 -1.875 10.865 1.00 35.14 C ATOM 0 H ILE A 29 -11.080 -1.729 10.805 1.00 5.33 H new ATOM 0 HA ILE A 29 -8.874 -3.481 10.732 1.00 13.14 H new ATOM 0 HB ILE A 29 -9.958 -1.523 12.709 1.00 23.24 H new ATOM 0 HG12 ILE A 29 -8.748 -0.616 10.808 1.00 41.25 H new ATOM 0 HG13 ILE A 29 -7.763 -0.415 12.243 1.00 41.25 H new ATOM 0 HG21 ILE A 29 -8.033 -1.856 14.188 1.00 24.33 H new ATOM 0 HG22 ILE A 29 -9.130 -3.257 14.152 1.00 24.33 H new ATOM 0 HG23 ILE A 29 -7.588 -3.310 13.264 1.00 24.33 H new ATOM 0 HD11 ILE A 29 -6.397 -1.148 10.339 1.00 35.14 H new ATOM 0 HD12 ILE A 29 -6.411 -2.394 11.610 1.00 35.14 H new ATOM 0 HD13 ILE A 29 -7.411 -2.598 10.152 1.00 35.14 H new ATOM 246 N ASP A 30 -11.358 -4.452 12.564 1.00 1.30 N ATOM 247 CA ASP A 30 -11.933 -5.610 13.220 1.00 72.41 C ATOM 248 C ASP A 30 -11.960 -6.785 12.295 1.00 32.44 C ATOM 249 O ASP A 30 -11.464 -7.819 12.643 1.00 22.14 O ATOM 250 CB ASP A 30 -13.331 -5.312 13.769 1.00 23.33 C ATOM 251 CG ASP A 30 -14.035 -6.528 14.325 1.00 73.15 C ATOM 252 OD1 ASP A 30 -13.703 -6.973 15.437 1.00 64.30 O ATOM 253 OD2 ASP A 30 -14.982 -7.024 13.679 1.00 14.34 O ATOM 0 H ASP A 30 -11.994 -3.658 12.489 1.00 1.30 H new ATOM 0 HA ASP A 30 -11.296 -5.858 14.069 1.00 72.41 H new ATOM 0 HB2 ASP A 30 -13.251 -4.559 14.553 1.00 23.33 H new ATOM 0 HB3 ASP A 30 -13.940 -4.882 12.974 1.00 23.33 H new ATOM 258 N LEU A 31 -12.443 -6.608 11.082 1.00 74.35 N ATOM 259 CA LEU A 31 -12.529 -7.721 10.181 1.00 50.33 C ATOM 260 C LEU A 31 -11.147 -8.180 9.699 1.00 55.53 C ATOM 261 O LEU A 31 -10.972 -9.328 9.332 1.00 32.32 O ATOM 262 CB LEU A 31 -13.542 -7.482 9.042 1.00 3.14 C ATOM 263 CG LEU A 31 -13.294 -6.334 8.067 1.00 1.33 C ATOM 264 CD1 LEU A 31 -12.180 -6.658 7.100 1.00 20.42 C ATOM 265 CD2 LEU A 31 -14.567 -5.987 7.332 1.00 74.21 C ATOM 0 H LEU A 31 -12.774 -5.718 10.709 1.00 74.35 H new ATOM 0 HA LEU A 31 -12.934 -8.561 10.745 1.00 50.33 H new ATOM 0 HB2 LEU A 31 -13.607 -8.401 8.460 1.00 3.14 H new ATOM 0 HB3 LEU A 31 -14.519 -7.323 9.497 1.00 3.14 H new ATOM 0 HG LEU A 31 -12.978 -5.464 8.643 1.00 1.33 H new ATOM 0 HD11 LEU A 31 -12.032 -5.818 6.421 1.00 20.42 H new ATOM 0 HD12 LEU A 31 -11.260 -6.844 7.654 1.00 20.42 H new ATOM 0 HD13 LEU A 31 -12.443 -7.546 6.526 1.00 20.42 H new ATOM 0 HD21 LEU A 31 -14.376 -5.167 6.640 1.00 74.21 H new ATOM 0 HD22 LEU A 31 -14.915 -6.857 6.776 1.00 74.21 H new ATOM 0 HD23 LEU A 31 -15.331 -5.686 8.049 1.00 74.21 H new ATOM 277 N VAL A 32 -10.174 -7.271 9.715 1.00 45.11 N ATOM 278 CA VAL A 32 -8.805 -7.619 9.388 1.00 52.34 C ATOM 279 C VAL A 32 -8.197 -8.480 10.518 1.00 70.35 C ATOM 280 O VAL A 32 -7.340 -9.334 10.283 1.00 11.31 O ATOM 281 CB VAL A 32 -7.952 -6.324 9.113 1.00 30.24 C ATOM 282 CG1 VAL A 32 -6.456 -6.620 9.053 1.00 42.41 C ATOM 283 CG2 VAL A 32 -8.380 -5.699 7.791 1.00 65.23 C ATOM 0 H VAL A 32 -10.315 -6.289 9.952 1.00 45.11 H new ATOM 0 HA VAL A 32 -8.794 -8.210 8.472 1.00 52.34 H new ATOM 0 HB VAL A 32 -8.130 -5.638 9.941 1.00 30.24 H new ATOM 0 HG11 VAL A 32 -5.910 -5.696 8.861 1.00 42.41 H new ATOM 0 HG12 VAL A 32 -6.131 -7.044 10.003 1.00 42.41 H new ATOM 0 HG13 VAL A 32 -6.258 -7.332 8.252 1.00 42.41 H new ATOM 0 HG21 VAL A 32 -7.788 -4.803 7.604 1.00 65.23 H new ATOM 0 HG22 VAL A 32 -8.223 -6.413 6.983 1.00 65.23 H new ATOM 0 HG23 VAL A 32 -9.436 -5.433 7.839 1.00 65.23 H new ATOM 293 N THR A 33 -8.719 -8.316 11.719 1.00 30.23 N ATOM 294 CA THR A 33 -8.211 -9.019 12.881 1.00 13.45 C ATOM 295 C THR A 33 -9.331 -9.872 13.462 1.00 71.42 C ATOM 296 O THR A 33 -9.377 -10.171 14.665 1.00 4.13 O ATOM 297 CB THR A 33 -7.698 -7.995 13.926 1.00 63.44 C ATOM 298 OG1 THR A 33 -8.716 -7.012 14.199 1.00 15.34 O ATOM 299 CG2 THR A 33 -6.452 -7.284 13.412 1.00 25.44 C ATOM 0 H THR A 33 -9.504 -7.695 11.916 1.00 30.23 H new ATOM 0 HA THR A 33 -7.379 -9.664 12.601 1.00 13.45 H new ATOM 0 HB THR A 33 -7.454 -8.537 14.839 1.00 63.44 H new ATOM 0 HG1 THR A 33 -8.807 -6.413 13.429 1.00 15.34 H new ATOM 0 HG21 THR A 33 -6.107 -6.569 14.159 1.00 25.44 H new ATOM 0 HG22 THR A 33 -5.668 -8.017 13.221 1.00 25.44 H new ATOM 0 HG23 THR A 33 -6.689 -6.757 12.488 1.00 25.44 H new ATOM 307 N LYS A 34 -10.226 -10.265 12.572 1.00 44.44 N ATOM 308 CA LYS A 34 -11.426 -10.992 12.912 1.00 44.11 C ATOM 309 C LYS A 34 -11.122 -12.333 13.570 1.00 15.24 C ATOM 310 O LYS A 34 -10.035 -12.887 13.417 1.00 30.14 O ATOM 311 CB LYS A 34 -12.313 -11.180 11.664 1.00 72.33 C ATOM 312 CG LYS A 34 -13.795 -11.419 11.961 1.00 50.13 C ATOM 313 CD LYS A 34 -14.361 -10.274 12.793 1.00 55.33 C ATOM 314 CE LYS A 34 -15.841 -10.414 13.054 1.00 21.11 C ATOM 315 NZ LYS A 34 -16.317 -9.343 13.953 1.00 24.33 N ATOM 0 H LYS A 34 -10.132 -10.081 11.573 1.00 44.44 H new ATOM 0 HA LYS A 34 -11.971 -10.397 13.645 1.00 44.11 H new ATOM 0 HB2 LYS A 34 -12.221 -10.296 11.034 1.00 72.33 H new ATOM 0 HB3 LYS A 34 -11.932 -12.023 11.088 1.00 72.33 H new ATOM 0 HG2 LYS A 34 -14.350 -11.507 11.027 1.00 50.13 H new ATOM 0 HG3 LYS A 34 -13.918 -12.361 12.495 1.00 50.13 H new ATOM 0 HD2 LYS A 34 -13.832 -10.227 13.745 1.00 55.33 H new ATOM 0 HD3 LYS A 34 -14.175 -9.331 12.278 1.00 55.33 H new ATOM 0 HE2 LYS A 34 -16.387 -10.374 12.111 1.00 21.11 H new ATOM 0 HE3 LYS A 34 -16.046 -11.387 13.500 1.00 21.11 H new ATOM 0 HZ1 LYS A 34 -17.357 -9.343 13.972 1.00 24.33 H new ATOM 0 HZ2 LYS A 34 -15.953 -9.508 14.913 1.00 24.33 H new ATOM 0 HZ3 LYS A 34 -15.977 -8.423 13.607 1.00 24.33 H new ATOM 329 N SER A 35 -12.091 -12.805 14.314 1.00 13.41 N ATOM 330 CA SER A 35 -12.048 -14.042 15.035 1.00 24.33 C ATOM 331 C SER A 35 -11.658 -15.229 14.136 1.00 52.15 C ATOM 332 O SER A 35 -12.098 -15.306 12.977 1.00 32.30 O ATOM 333 CB SER A 35 -13.435 -14.241 15.627 1.00 42.42 C ATOM 334 OG SER A 35 -14.431 -13.907 14.653 1.00 1.02 O ATOM 0 H SER A 35 -12.973 -12.308 14.436 1.00 13.41 H new ATOM 0 HA SER A 35 -11.283 -13.999 15.811 1.00 24.33 H new ATOM 0 HB2 SER A 35 -13.559 -15.276 15.947 1.00 42.42 H new ATOM 0 HB3 SER A 35 -13.555 -13.617 16.512 1.00 42.42 H new ATOM 0 HG SER A 35 -15.322 -14.038 15.038 1.00 1.02 H new ATOM 340 N PRO A 36 -10.847 -16.179 14.670 1.00 75.11 N ATOM 341 CA PRO A 36 -10.397 -17.385 13.938 1.00 41.10 C ATOM 342 C PRO A 36 -11.567 -18.214 13.401 1.00 1.54 C ATOM 343 O PRO A 36 -11.395 -19.043 12.502 1.00 21.43 O ATOM 344 CB PRO A 36 -9.646 -18.198 14.987 1.00 44.34 C ATOM 345 CG PRO A 36 -9.270 -17.236 16.055 1.00 24.45 C ATOM 346 CD PRO A 36 -10.277 -16.128 16.033 1.00 24.23 C ATOM 0 HA PRO A 36 -9.796 -17.113 13.070 1.00 41.10 H new ATOM 0 HB2 PRO A 36 -10.272 -18.997 15.384 1.00 44.34 H new ATOM 0 HB3 PRO A 36 -8.762 -18.669 14.557 1.00 44.34 H new ATOM 0 HG2 PRO A 36 -9.261 -17.727 17.028 1.00 24.45 H new ATOM 0 HG3 PRO A 36 -8.266 -16.846 15.885 1.00 24.45 H new ATOM 0 HD2 PRO A 36 -11.046 -16.274 16.791 1.00 24.23 H new ATOM 0 HD3 PRO A 36 -9.811 -15.163 16.233 1.00 24.23 H new ATOM 354 N ASP A 37 -12.755 -17.978 13.974 1.00 54.30 N ATOM 355 CA ASP A 37 -14.016 -18.621 13.534 1.00 51.22 C ATOM 356 C ASP A 37 -14.244 -18.369 12.037 1.00 12.01 C ATOM 357 O ASP A 37 -14.833 -19.189 11.326 1.00 44.31 O ATOM 358 CB ASP A 37 -15.189 -18.022 14.318 1.00 2.51 C ATOM 359 CG ASP A 37 -16.503 -18.729 14.080 1.00 70.25 C ATOM 360 OD1 ASP A 37 -17.349 -18.223 13.301 1.00 21.20 O ATOM 361 OD2 ASP A 37 -16.730 -19.792 14.687 1.00 23.40 O ATOM 0 H ASP A 37 -12.877 -17.336 14.757 1.00 54.30 H new ATOM 0 HA ASP A 37 -13.948 -19.694 13.715 1.00 51.22 H new ATOM 0 HB2 ASP A 37 -14.957 -18.054 15.383 1.00 2.51 H new ATOM 0 HB3 ASP A 37 -15.297 -16.972 14.047 1.00 2.51 H new ATOM 366 N SER A 38 -13.718 -17.275 11.565 1.00 53.23 N ATOM 367 CA SER A 38 -13.731 -16.950 10.182 1.00 60.30 C ATOM 368 C SER A 38 -12.296 -17.033 9.668 1.00 32.34 C ATOM 369 O SER A 38 -11.467 -16.157 9.969 1.00 51.45 O ATOM 370 CB SER A 38 -14.353 -15.560 9.981 1.00 71.11 C ATOM 371 OG SER A 38 -13.815 -14.619 10.910 1.00 3.22 O ATOM 0 H SER A 38 -13.261 -16.575 12.149 1.00 53.23 H new ATOM 0 HA SER A 38 -14.343 -17.650 9.613 1.00 60.30 H new ATOM 0 HB2 SER A 38 -14.167 -15.218 8.963 1.00 71.11 H new ATOM 0 HB3 SER A 38 -15.434 -15.620 10.104 1.00 71.11 H new ATOM 0 HG SER A 38 -12.875 -14.833 11.085 1.00 3.22 H new ATOM 377 N VAL A 39 -11.990 -18.120 8.968 1.00 24.20 N ATOM 378 CA VAL A 39 -10.637 -18.384 8.482 1.00 72.53 C ATOM 379 C VAL A 39 -10.168 -17.317 7.505 1.00 44.31 C ATOM 380 O VAL A 39 -9.046 -16.815 7.606 1.00 1.34 O ATOM 381 CB VAL A 39 -10.492 -19.830 7.868 1.00 24.53 C ATOM 382 CG1 VAL A 39 -11.461 -20.071 6.714 1.00 20.24 C ATOM 383 CG2 VAL A 39 -9.056 -20.098 7.420 1.00 42.40 C ATOM 0 H VAL A 39 -12.668 -18.841 8.721 1.00 24.20 H new ATOM 0 HA VAL A 39 -9.983 -18.341 9.353 1.00 72.53 H new ATOM 0 HB VAL A 39 -10.748 -20.531 8.662 1.00 24.53 H new ATOM 0 HG11 VAL A 39 -11.321 -21.080 6.326 1.00 20.24 H new ATOM 0 HG12 VAL A 39 -12.485 -19.957 7.069 1.00 20.24 H new ATOM 0 HG13 VAL A 39 -11.270 -19.348 5.921 1.00 20.24 H new ATOM 0 HG21 VAL A 39 -8.987 -21.102 7.001 1.00 42.40 H new ATOM 0 HG22 VAL A 39 -8.769 -19.368 6.663 1.00 42.40 H new ATOM 0 HG23 VAL A 39 -8.386 -20.015 8.276 1.00 42.40 H new ATOM 393 N ASN A 40 -11.030 -16.930 6.629 1.00 42.54 N ATOM 394 CA ASN A 40 -10.673 -16.004 5.620 1.00 61.23 C ATOM 395 C ASN A 40 -11.283 -14.643 5.907 1.00 44.05 C ATOM 396 O ASN A 40 -12.387 -14.298 5.454 1.00 73.13 O ATOM 397 CB ASN A 40 -11.041 -16.580 4.254 1.00 34.20 C ATOM 398 CG ASN A 40 -10.602 -15.742 3.065 1.00 55.20 C ATOM 399 OD1 ASN A 40 -11.353 -14.953 2.535 1.00 35.23 O ATOM 400 ND2 ASN A 40 -9.397 -15.916 2.642 1.00 74.31 N ATOM 0 H ASN A 40 -11.999 -17.248 6.595 1.00 42.54 H new ATOM 0 HA ASN A 40 -9.595 -15.841 5.611 1.00 61.23 H new ATOM 0 HB2 ASN A 40 -10.599 -17.572 4.163 1.00 34.20 H new ATOM 0 HB3 ASN A 40 -12.123 -16.708 4.210 1.00 34.20 H new ATOM 0 HD21 ASN A 40 -9.055 -15.383 1.843 1.00 74.31 H new ATOM 0 HD22 ASN A 40 -8.785 -16.587 3.107 1.00 74.31 H new ATOM 407 N SER A 41 -10.562 -13.885 6.701 1.00 21.13 N ATOM 408 CA SER A 41 -10.951 -12.549 7.116 1.00 3.24 C ATOM 409 C SER A 41 -10.890 -11.626 5.901 1.00 44.42 C ATOM 410 O SER A 41 -11.594 -10.601 5.810 1.00 60.24 O ATOM 411 CB SER A 41 -9.989 -12.064 8.200 1.00 30.12 C ATOM 412 OG SER A 41 -9.960 -12.971 9.300 1.00 32.52 O ATOM 0 H SER A 41 -9.667 -14.184 7.088 1.00 21.13 H new ATOM 0 HA SER A 41 -11.964 -12.551 7.518 1.00 3.24 H new ATOM 0 HB2 SER A 41 -8.987 -11.961 7.783 1.00 30.12 H new ATOM 0 HB3 SER A 41 -10.294 -11.076 8.546 1.00 30.12 H new ATOM 0 HG SER A 41 -9.336 -12.641 9.980 1.00 32.52 H new ATOM 418 N GLU A 42 -10.081 -12.047 4.951 1.00 32.34 N ATOM 419 CA GLU A 42 -9.890 -11.398 3.701 1.00 52.32 C ATOM 420 C GLU A 42 -11.214 -11.359 2.936 1.00 72.15 C ATOM 421 O GLU A 42 -11.438 -10.464 2.133 1.00 23.13 O ATOM 422 CB GLU A 42 -8.819 -12.132 2.852 1.00 33.32 C ATOM 423 CG GLU A 42 -7.494 -12.453 3.558 1.00 12.32 C ATOM 424 CD GLU A 42 -7.543 -13.738 4.384 1.00 52.34 C ATOM 425 OE1 GLU A 42 -6.992 -14.761 3.945 1.00 64.14 O ATOM 426 OE2 GLU A 42 -8.151 -13.742 5.453 1.00 32.11 O ATOM 0 H GLU A 42 -9.519 -12.893 5.049 1.00 32.34 H new ATOM 0 HA GLU A 42 -9.542 -10.382 3.890 1.00 52.32 H new ATOM 0 HB2 GLU A 42 -9.250 -13.066 2.491 1.00 33.32 H new ATOM 0 HB3 GLU A 42 -8.601 -11.522 1.975 1.00 33.32 H new ATOM 0 HG2 GLU A 42 -6.705 -12.539 2.811 1.00 12.32 H new ATOM 0 HG3 GLU A 42 -7.227 -11.621 4.209 1.00 12.32 H new ATOM 433 N HIS A 43 -12.105 -12.321 3.215 1.00 31.33 N ATOM 434 CA HIS A 43 -13.406 -12.371 2.569 1.00 3.33 C ATOM 435 C HIS A 43 -14.244 -11.215 3.041 1.00 50.42 C ATOM 436 O HIS A 43 -14.896 -10.544 2.248 1.00 4.23 O ATOM 437 CB HIS A 43 -14.130 -13.693 2.874 1.00 73.44 C ATOM 438 CG HIS A 43 -15.490 -13.821 2.249 1.00 51.05 C ATOM 439 ND1 HIS A 43 -16.669 -13.576 2.921 1.00 44.12 N ATOM 440 CD2 HIS A 43 -15.842 -14.177 0.992 1.00 13.24 C ATOM 441 CE1 HIS A 43 -17.678 -13.784 2.080 1.00 2.21 C ATOM 442 NE2 HIS A 43 -17.231 -14.154 0.885 1.00 15.10 N ATOM 0 H HIS A 43 -11.940 -13.072 3.886 1.00 31.33 H new ATOM 0 HA HIS A 43 -13.256 -12.307 1.491 1.00 3.33 H new ATOM 0 HB2 HIS A 43 -13.508 -14.520 2.531 1.00 73.44 H new ATOM 0 HB3 HIS A 43 -14.230 -13.796 3.954 1.00 73.44 H new ATOM 0 HD1 HIS A 43 -16.753 -13.285 3.895 1.00 44.12 H new ATOM 0 HD2 HIS A 43 -15.156 -14.437 0.199 1.00 13.24 H new ATOM 0 HE1 HIS A 43 -18.721 -13.668 2.334 1.00 2.21 H new ATOM 450 N GLU A 44 -14.183 -10.956 4.333 1.00 1.01 N ATOM 451 CA GLU A 44 -14.940 -9.912 4.931 1.00 73.22 C ATOM 452 C GLU A 44 -14.384 -8.604 4.454 1.00 13.40 C ATOM 453 O GLU A 44 -15.118 -7.660 4.215 1.00 52.43 O ATOM 454 CB GLU A 44 -14.828 -10.024 6.437 1.00 63.32 C ATOM 455 CG GLU A 44 -15.100 -11.427 6.945 1.00 51.42 C ATOM 456 CD GLU A 44 -16.486 -11.924 6.612 1.00 44.32 C ATOM 457 OE1 GLU A 44 -17.437 -11.615 7.351 1.00 62.22 O ATOM 458 OE2 GLU A 44 -16.644 -12.654 5.598 1.00 61.01 O ATOM 0 H GLU A 44 -13.599 -11.476 4.988 1.00 1.01 H new ATOM 0 HA GLU A 44 -15.992 -9.981 4.656 1.00 73.22 H new ATOM 0 HB2 GLU A 44 -13.828 -9.718 6.746 1.00 63.32 H new ATOM 0 HB3 GLU A 44 -15.531 -9.332 6.901 1.00 63.32 H new ATOM 0 HG2 GLU A 44 -14.365 -12.109 6.519 1.00 51.42 H new ATOM 0 HG3 GLU A 44 -14.964 -11.447 8.026 1.00 51.42 H new ATOM 465 N LEU A 45 -13.073 -8.574 4.263 1.00 71.24 N ATOM 466 CA LEU A 45 -12.423 -7.417 3.749 1.00 61.51 C ATOM 467 C LEU A 45 -12.855 -7.164 2.315 1.00 52.23 C ATOM 468 O LEU A 45 -13.205 -6.051 1.969 1.00 52.41 O ATOM 469 CB LEU A 45 -10.908 -7.545 3.846 1.00 64.30 C ATOM 470 CG LEU A 45 -10.138 -6.324 3.376 1.00 61.52 C ATOM 471 CD1 LEU A 45 -10.524 -5.109 4.186 1.00 31.11 C ATOM 472 CD2 LEU A 45 -8.641 -6.567 3.410 1.00 51.22 C ATOM 0 H LEU A 45 -12.449 -9.355 4.464 1.00 71.24 H new ATOM 0 HA LEU A 45 -12.719 -6.562 4.357 1.00 61.51 H new ATOM 0 HB2 LEU A 45 -10.640 -7.750 4.882 1.00 64.30 H new ATOM 0 HB3 LEU A 45 -10.591 -8.406 3.258 1.00 64.30 H new ATOM 0 HG LEU A 45 -10.406 -6.132 2.337 1.00 61.52 H new ATOM 0 HD11 LEU A 45 -9.962 -4.244 3.835 1.00 31.11 H new ATOM 0 HD12 LEU A 45 -11.591 -4.919 4.071 1.00 31.11 H new ATOM 0 HD13 LEU A 45 -10.298 -5.286 5.238 1.00 31.11 H new ATOM 0 HD21 LEU A 45 -8.119 -5.673 3.067 1.00 51.22 H new ATOM 0 HD22 LEU A 45 -8.333 -6.798 4.430 1.00 51.22 H new ATOM 0 HD23 LEU A 45 -8.393 -7.404 2.757 1.00 51.22 H new ATOM 484 N ALA A 46 -12.875 -8.213 1.507 1.00 20.34 N ATOM 485 CA ALA A 46 -13.298 -8.120 0.115 1.00 33.02 C ATOM 486 C ALA A 46 -14.748 -7.670 0.016 1.00 65.42 C ATOM 487 O ALA A 46 -15.126 -6.960 -0.903 1.00 50.32 O ATOM 488 CB ALA A 46 -13.101 -9.449 -0.603 1.00 72.10 C ATOM 0 H ALA A 46 -12.599 -9.152 1.795 1.00 20.34 H new ATOM 0 HA ALA A 46 -12.674 -7.372 -0.374 1.00 33.02 H new ATOM 0 HB1 ALA A 46 -13.424 -9.354 -1.640 1.00 72.10 H new ATOM 0 HB2 ALA A 46 -12.047 -9.725 -0.575 1.00 72.10 H new ATOM 0 HB3 ALA A 46 -13.691 -10.221 -0.109 1.00 72.10 H new ATOM 494 N HIS A 47 -15.543 -8.071 0.972 1.00 33.20 N ATOM 495 CA HIS A 47 -16.942 -7.683 1.017 1.00 34.10 C ATOM 496 C HIS A 47 -17.061 -6.221 1.477 1.00 2.35 C ATOM 497 O HIS A 47 -17.928 -5.483 1.011 1.00 64.41 O ATOM 498 CB HIS A 47 -17.738 -8.640 1.937 1.00 20.11 C ATOM 499 CG HIS A 47 -19.223 -8.374 2.004 1.00 22.31 C ATOM 500 ND1 HIS A 47 -20.149 -8.902 1.123 1.00 72.14 N ATOM 501 CD2 HIS A 47 -19.934 -7.631 2.884 1.00 43.41 C ATOM 502 CE1 HIS A 47 -21.358 -8.473 1.485 1.00 43.23 C ATOM 503 NE2 HIS A 47 -21.288 -7.693 2.556 1.00 22.34 N ATOM 0 H HIS A 47 -15.249 -8.673 1.741 1.00 33.20 H new ATOM 0 HA HIS A 47 -17.372 -7.759 0.018 1.00 34.10 H new ATOM 0 HB2 HIS A 47 -17.583 -9.663 1.593 1.00 20.11 H new ATOM 0 HB3 HIS A 47 -17.327 -8.576 2.945 1.00 20.11 H new ATOM 0 HD2 HIS A 47 -19.517 -7.076 3.712 1.00 43.41 H new ATOM 0 HE1 HIS A 47 -22.275 -8.727 0.973 1.00 43.23 H new ATOM 0 HE2 HIS A 47 -22.062 -7.235 3.038 1.00 22.34 H new ATOM 511 N PHE A 48 -16.156 -5.810 2.350 1.00 11.55 N ATOM 512 CA PHE A 48 -16.120 -4.472 2.880 1.00 71.40 C ATOM 513 C PHE A 48 -15.689 -3.494 1.794 1.00 0.31 C ATOM 514 O PHE A 48 -16.299 -2.436 1.606 1.00 22.12 O ATOM 515 CB PHE A 48 -15.134 -4.446 4.057 1.00 61.22 C ATOM 516 CG PHE A 48 -14.880 -3.101 4.661 1.00 31.13 C ATOM 517 CD1 PHE A 48 -13.865 -2.300 4.173 1.00 4.21 C ATOM 518 CD2 PHE A 48 -15.640 -2.647 5.711 1.00 2.53 C ATOM 519 CE1 PHE A 48 -13.616 -1.066 4.722 1.00 14.51 C ATOM 520 CE2 PHE A 48 -15.400 -1.414 6.270 1.00 24.24 C ATOM 521 CZ PHE A 48 -14.383 -0.621 5.772 1.00 10.11 C ATOM 0 H PHE A 48 -15.417 -6.413 2.711 1.00 11.55 H new ATOM 0 HA PHE A 48 -17.110 -4.174 3.226 1.00 71.40 H new ATOM 0 HB2 PHE A 48 -15.510 -5.109 4.836 1.00 61.22 H new ATOM 0 HB3 PHE A 48 -14.183 -4.858 3.719 1.00 61.22 H new ATOM 0 HD1 PHE A 48 -13.260 -2.649 3.349 1.00 4.21 H new ATOM 0 HD2 PHE A 48 -16.435 -3.265 6.102 1.00 2.53 H new ATOM 0 HE1 PHE A 48 -12.821 -0.448 4.330 1.00 14.51 H new ATOM 0 HE2 PHE A 48 -16.004 -1.066 7.095 1.00 24.24 H new ATOM 0 HZ PHE A 48 -14.191 0.348 6.208 1.00 10.11 H new ATOM 531 N LEU A 49 -14.645 -3.859 1.080 1.00 54.31 N ATOM 532 CA LEU A 49 -14.098 -3.015 0.049 1.00 23.01 C ATOM 533 C LEU A 49 -14.826 -3.177 -1.266 1.00 73.42 C ATOM 534 O LEU A 49 -14.564 -2.458 -2.182 1.00 41.42 O ATOM 535 CB LEU A 49 -12.576 -3.224 -0.103 1.00 1.42 C ATOM 536 CG LEU A 49 -12.087 -4.650 -0.418 1.00 23.45 C ATOM 537 CD1 LEU A 49 -12.413 -5.081 -1.835 1.00 12.03 C ATOM 538 CD2 LEU A 49 -10.620 -4.773 -0.143 1.00 44.33 C ATOM 0 H LEU A 49 -14.156 -4.746 1.200 1.00 54.31 H new ATOM 0 HA LEU A 49 -14.253 -1.983 0.364 1.00 23.01 H new ATOM 0 HB2 LEU A 49 -12.222 -2.564 -0.895 1.00 1.42 H new ATOM 0 HB3 LEU A 49 -12.097 -2.899 0.821 1.00 1.42 H new ATOM 0 HG LEU A 49 -12.628 -5.327 0.243 1.00 23.45 H new ATOM 0 HD11 LEU A 49 -12.045 -6.094 -2.001 1.00 12.03 H new ATOM 0 HD12 LEU A 49 -13.493 -5.058 -1.983 1.00 12.03 H new ATOM 0 HD13 LEU A 49 -11.936 -4.401 -2.541 1.00 12.03 H new ATOM 0 HD21 LEU A 49 -10.291 -5.787 -0.371 1.00 44.33 H new ATOM 0 HD22 LEU A 49 -10.073 -4.065 -0.765 1.00 44.33 H new ATOM 0 HD23 LEU A 49 -10.427 -4.557 0.908 1.00 44.33 H new ATOM 550 N GLY A 50 -15.714 -4.150 -1.334 1.00 41.52 N ATOM 551 CA GLY A 50 -16.531 -4.395 -2.541 1.00 70.44 C ATOM 552 C GLY A 50 -17.065 -3.106 -3.196 1.00 12.24 C ATOM 553 O GLY A 50 -16.821 -2.871 -4.396 1.00 41.34 O ATOM 0 H GLY A 50 -15.900 -4.797 -0.568 1.00 41.52 H new ATOM 0 HA2 GLY A 50 -15.933 -4.942 -3.270 1.00 70.44 H new ATOM 0 HA3 GLY A 50 -17.373 -5.034 -2.276 1.00 70.44 H new ATOM 557 N PRO A 51 -17.824 -2.267 -2.456 1.00 53.34 N ATOM 558 CA PRO A 51 -18.271 -0.960 -2.938 1.00 53.11 C ATOM 559 C PRO A 51 -17.222 0.157 -2.703 1.00 4.13 C ATOM 560 O PRO A 51 -17.396 1.284 -3.150 1.00 10.52 O ATOM 561 CB PRO A 51 -19.536 -0.671 -2.100 1.00 52.33 C ATOM 562 CG PRO A 51 -19.711 -1.845 -1.185 1.00 72.34 C ATOM 563 CD PRO A 51 -18.393 -2.550 -1.128 1.00 23.35 C ATOM 0 HA PRO A 51 -18.443 -0.975 -4.014 1.00 53.11 H new ATOM 0 HB2 PRO A 51 -19.423 0.252 -1.531 1.00 52.33 H new ATOM 0 HB3 PRO A 51 -20.408 -0.545 -2.742 1.00 52.33 H new ATOM 0 HG2 PRO A 51 -20.018 -1.518 -0.191 1.00 72.34 H new ATOM 0 HG3 PRO A 51 -20.490 -2.511 -1.556 1.00 72.34 H new ATOM 0 HD2 PRO A 51 -17.762 -2.167 -0.326 1.00 23.35 H new ATOM 0 HD3 PRO A 51 -18.512 -3.620 -0.957 1.00 23.35 H new ATOM 571 N HIS A 52 -16.139 -0.164 -2.009 1.00 53.30 N ATOM 572 CA HIS A 52 -15.155 0.852 -1.587 1.00 53.53 C ATOM 573 C HIS A 52 -13.810 0.617 -2.246 1.00 75.25 C ATOM 574 O HIS A 52 -12.787 1.094 -1.754 1.00 4.22 O ATOM 575 CB HIS A 52 -14.955 0.816 -0.049 1.00 34.00 C ATOM 576 CG HIS A 52 -16.140 1.212 0.789 1.00 10.03 C ATOM 577 ND1 HIS A 52 -16.098 2.197 1.752 1.00 55.24 N ATOM 578 CD2 HIS A 52 -17.396 0.714 0.829 1.00 23.24 C ATOM 579 CE1 HIS A 52 -17.296 2.266 2.329 1.00 73.15 C ATOM 580 NE2 HIS A 52 -18.123 1.383 1.803 1.00 14.22 N ATOM 0 H HIS A 52 -15.910 -1.115 -1.721 1.00 53.30 H new ATOM 0 HA HIS A 52 -15.547 1.823 -1.890 1.00 53.53 H new ATOM 0 HB2 HIS A 52 -14.659 -0.194 0.233 1.00 34.00 H new ATOM 0 HB3 HIS A 52 -14.123 1.474 0.203 1.00 34.00 H new ATOM 0 HD2 HIS A 52 -17.774 -0.080 0.202 1.00 23.24 H new ATOM 0 HE1 HIS A 52 -17.556 2.953 3.121 1.00 73.15 H new ATOM 0 HE2 HIS A 52 -19.097 1.225 2.060 1.00 14.22 H new ATOM 588 N ASP A 53 -13.818 -0.080 -3.354 1.00 5.33 N ATOM 589 CA ASP A 53 -12.595 -0.471 -4.020 1.00 73.23 C ATOM 590 C ASP A 53 -11.984 0.712 -4.767 1.00 65.33 C ATOM 591 O ASP A 53 -12.639 1.308 -5.635 1.00 72.24 O ATOM 592 CB ASP A 53 -12.879 -1.604 -4.976 1.00 45.43 C ATOM 593 CG ASP A 53 -11.629 -2.224 -5.518 1.00 13.31 C ATOM 594 OD1 ASP A 53 -11.229 -3.292 -5.004 1.00 33.41 O ATOM 595 OD2 ASP A 53 -11.087 -1.713 -6.508 1.00 32.34 O ATOM 0 H ASP A 53 -14.669 -0.393 -3.821 1.00 5.33 H new ATOM 0 HA ASP A 53 -11.878 -0.805 -3.270 1.00 73.23 H new ATOM 0 HB2 ASP A 53 -13.467 -2.367 -4.466 1.00 45.43 H new ATOM 0 HB3 ASP A 53 -13.485 -1.234 -5.803 1.00 45.43 H new ATOM 600 N PRO A 54 -10.756 1.098 -4.405 1.00 12.11 N ATOM 601 CA PRO A 54 -10.064 2.223 -4.999 1.00 62.31 C ATOM 602 C PRO A 54 -9.000 1.770 -6.035 1.00 53.42 C ATOM 603 O PRO A 54 -9.172 0.769 -6.717 1.00 61.13 O ATOM 604 CB PRO A 54 -9.385 2.783 -3.752 1.00 2.21 C ATOM 605 CG PRO A 54 -8.932 1.563 -3.009 1.00 32.04 C ATOM 606 CD PRO A 54 -9.925 0.472 -3.351 1.00 61.03 C ATOM 0 HA PRO A 54 -10.705 2.912 -5.549 1.00 62.31 H new ATOM 0 HB2 PRO A 54 -8.545 3.428 -4.010 1.00 2.21 H new ATOM 0 HB3 PRO A 54 -10.075 3.381 -3.156 1.00 2.21 H new ATOM 0 HG2 PRO A 54 -7.922 1.278 -3.305 1.00 32.04 H new ATOM 0 HG3 PRO A 54 -8.909 1.747 -1.935 1.00 32.04 H new ATOM 0 HD2 PRO A 54 -9.427 -0.429 -3.711 1.00 61.03 H new ATOM 0 HD3 PRO A 54 -10.521 0.183 -2.485 1.00 61.03 H new ATOM 614 N GLU A 55 -7.935 2.547 -6.197 1.00 12.03 N ATOM 615 CA GLU A 55 -6.831 2.103 -7.025 1.00 2.03 C ATOM 616 C GLU A 55 -5.946 1.258 -6.183 1.00 3.20 C ATOM 617 O GLU A 55 -5.414 1.729 -5.156 1.00 62.10 O ATOM 618 CB GLU A 55 -6.002 3.242 -7.634 1.00 72.15 C ATOM 619 CG GLU A 55 -6.701 4.114 -8.656 1.00 23.25 C ATOM 620 CD GLU A 55 -7.703 5.042 -8.053 1.00 71.31 C ATOM 621 OE1 GLU A 55 -8.918 4.839 -8.242 1.00 65.43 O ATOM 622 OE2 GLU A 55 -7.294 5.992 -7.356 1.00 24.13 O ATOM 0 H GLU A 55 -7.817 3.468 -5.774 1.00 12.03 H new ATOM 0 HA GLU A 55 -7.257 1.558 -7.868 1.00 2.03 H new ATOM 0 HB2 GLU A 55 -5.652 3.881 -6.823 1.00 72.15 H new ATOM 0 HB3 GLU A 55 -5.119 2.808 -8.103 1.00 72.15 H new ATOM 0 HG2 GLU A 55 -5.955 4.697 -9.197 1.00 23.25 H new ATOM 0 HG3 GLU A 55 -7.199 3.477 -9.387 1.00 23.25 H new ATOM 629 N ILE A 56 -5.803 0.036 -6.563 1.00 64.13 N ATOM 630 CA ILE A 56 -5.015 -0.891 -5.825 1.00 52.13 C ATOM 631 C ILE A 56 -3.668 -1.012 -6.521 1.00 2.13 C ATOM 632 O ILE A 56 -3.604 -1.435 -7.610 1.00 13.32 O ATOM 633 CB ILE A 56 -5.728 -2.258 -5.820 1.00 20.42 C ATOM 634 CG1 ILE A 56 -7.185 -2.081 -5.332 1.00 11.53 C ATOM 635 CG2 ILE A 56 -4.971 -3.232 -4.942 1.00 21.43 C ATOM 636 CD1 ILE A 56 -8.070 -3.298 -5.503 1.00 15.32 C ATOM 0 H ILE A 56 -6.233 -0.352 -7.402 1.00 64.13 H new ATOM 0 HA ILE A 56 -4.877 -0.558 -4.796 1.00 52.13 H new ATOM 0 HB ILE A 56 -5.751 -2.664 -6.831 1.00 20.42 H new ATOM 0 HG12 ILE A 56 -7.168 -1.808 -4.277 1.00 11.53 H new ATOM 0 HG13 ILE A 56 -7.633 -1.246 -5.870 1.00 11.53 H new ATOM 0 HG21 ILE A 56 -5.481 -4.195 -4.944 1.00 21.43 H new ATOM 0 HG22 ILE A 56 -3.958 -3.357 -5.326 1.00 21.43 H new ATOM 0 HG23 ILE A 56 -4.928 -2.846 -3.924 1.00 21.43 H new ATOM 0 HD11 ILE A 56 -9.070 -3.075 -5.132 1.00 15.32 H new ATOM 0 HD12 ILE A 56 -8.125 -3.562 -6.559 1.00 15.32 H new ATOM 0 HD13 ILE A 56 -7.652 -4.133 -4.941 1.00 15.32 H new ATOM 648 N TYR A 57 -2.626 -0.584 -5.918 1.00 14.33 N ATOM 649 CA TYR A 57 -1.320 -0.652 -6.558 1.00 15.23 C ATOM 650 C TYR A 57 -0.531 -1.805 -6.065 1.00 14.41 C ATOM 651 O TYR A 57 -0.096 -1.801 -4.960 1.00 30.21 O ATOM 652 CB TYR A 57 -0.543 0.633 -6.360 1.00 14.34 C ATOM 653 CG TYR A 57 -1.095 1.773 -7.155 1.00 52.12 C ATOM 654 CD1 TYR A 57 -2.058 2.607 -6.624 1.00 43.22 C ATOM 655 CD2 TYR A 57 -0.674 2.001 -8.451 1.00 24.11 C ATOM 656 CE1 TYR A 57 -2.585 3.637 -7.361 1.00 32.23 C ATOM 657 CE2 TYR A 57 -1.198 3.036 -9.192 1.00 71.54 C ATOM 658 CZ TYR A 57 -2.157 3.847 -8.639 1.00 32.34 C ATOM 659 OH TYR A 57 -2.691 4.878 -9.373 1.00 74.12 O ATOM 0 H TYR A 57 -2.626 -0.179 -4.982 1.00 14.33 H new ATOM 0 HA TYR A 57 -1.495 -0.790 -7.625 1.00 15.23 H new ATOM 0 HB2 TYR A 57 -0.550 0.897 -5.302 1.00 14.34 H new ATOM 0 HB3 TYR A 57 0.497 0.470 -6.641 1.00 14.34 H new ATOM 0 HD1 TYR A 57 -2.402 2.446 -5.613 1.00 43.22 H new ATOM 0 HD2 TYR A 57 0.076 1.359 -8.888 1.00 24.11 H new ATOM 0 HE1 TYR A 57 -3.338 4.281 -6.930 1.00 32.23 H new ATOM 0 HE2 TYR A 57 -0.857 3.209 -10.202 1.00 71.54 H new ATOM 0 HH TYR A 57 -2.280 4.894 -10.262 1.00 74.12 H new ATOM 669 N VAL A 58 -0.295 -2.758 -6.897 1.00 54.13 N ATOM 670 CA VAL A 58 0.406 -3.942 -6.473 1.00 32.24 C ATOM 671 C VAL A 58 1.702 -4.014 -7.193 1.00 11.32 C ATOM 672 O VAL A 58 1.728 -4.030 -8.420 1.00 73.03 O ATOM 673 CB VAL A 58 -0.414 -5.232 -6.696 1.00 64.43 C ATOM 674 CG1 VAL A 58 0.418 -6.488 -6.430 1.00 71.42 C ATOM 675 CG2 VAL A 58 -1.626 -5.240 -5.805 1.00 2.05 C ATOM 0 H VAL A 58 -0.573 -2.751 -7.878 1.00 54.13 H new ATOM 0 HA VAL A 58 0.574 -3.871 -5.398 1.00 32.24 H new ATOM 0 HB VAL A 58 -0.723 -5.242 -7.741 1.00 64.43 H new ATOM 0 HG11 VAL A 58 -0.195 -7.373 -6.598 1.00 71.42 H new ATOM 0 HG12 VAL A 58 1.274 -6.507 -7.104 1.00 71.42 H new ATOM 0 HG13 VAL A 58 0.769 -6.480 -5.398 1.00 71.42 H new ATOM 0 HG21 VAL A 58 -2.195 -6.155 -5.973 1.00 2.05 H new ATOM 0 HG22 VAL A 58 -1.311 -5.194 -4.762 1.00 2.05 H new ATOM 0 HG23 VAL A 58 -2.251 -4.377 -6.034 1.00 2.05 H new ATOM 685 N ASN A 59 2.773 -3.963 -6.423 1.00 3.12 N ATOM 686 CA ASN A 59 4.157 -4.022 -6.927 1.00 13.24 C ATOM 687 C ASN A 59 4.455 -2.864 -7.880 1.00 1.51 C ATOM 688 O ASN A 59 5.392 -2.906 -8.670 1.00 72.25 O ATOM 689 CB ASN A 59 4.458 -5.394 -7.577 1.00 22.43 C ATOM 690 CG ASN A 59 4.368 -6.537 -6.573 1.00 13.23 C ATOM 691 OD1 ASN A 59 4.607 -6.348 -5.376 1.00 25.10 O ATOM 692 ND2 ASN A 59 4.024 -7.719 -7.032 1.00 52.43 N ATOM 0 H ASN A 59 2.718 -3.878 -5.408 1.00 3.12 H new ATOM 0 HA ASN A 59 4.826 -3.914 -6.073 1.00 13.24 H new ATOM 0 HB2 ASN A 59 3.755 -5.571 -8.391 1.00 22.43 H new ATOM 0 HB3 ASN A 59 5.456 -5.376 -8.016 1.00 22.43 H new ATOM 0 HD21 ASN A 59 3.948 -8.511 -6.394 1.00 52.43 H new ATOM 0 HD22 ASN A 59 3.833 -7.844 -8.026 1.00 52.43 H new ATOM 699 N GLY A 60 3.662 -1.809 -7.754 1.00 42.12 N ATOM 700 CA GLY A 60 3.827 -0.641 -8.582 1.00 13.24 C ATOM 701 C GLY A 60 2.934 -0.666 -9.807 1.00 52.11 C ATOM 702 O GLY A 60 3.054 0.191 -10.675 1.00 43.33 O ATOM 0 H GLY A 60 2.898 -1.746 -7.081 1.00 42.12 H new ATOM 0 HA2 GLY A 60 3.607 0.251 -7.995 1.00 13.24 H new ATOM 0 HA3 GLY A 60 4.868 -0.567 -8.897 1.00 13.24 H new ATOM 706 N LYS A 61 2.058 -1.655 -9.888 1.00 60.12 N ATOM 707 CA LYS A 61 1.142 -1.775 -11.001 1.00 34.53 C ATOM 708 C LYS A 61 -0.269 -1.530 -10.523 1.00 65.21 C ATOM 709 O LYS A 61 -0.675 -2.060 -9.484 1.00 30.13 O ATOM 710 CB LYS A 61 1.251 -3.156 -11.663 1.00 72.20 C ATOM 711 CG LYS A 61 2.649 -3.531 -12.150 1.00 30.21 C ATOM 712 CD LYS A 61 3.139 -2.616 -13.263 1.00 15.13 C ATOM 713 CE LYS A 61 4.550 -2.987 -13.679 1.00 33.31 C ATOM 714 NZ LYS A 61 5.050 -2.141 -14.777 1.00 53.11 N ATOM 0 H LYS A 61 1.965 -2.390 -9.187 1.00 60.12 H new ATOM 0 HA LYS A 61 1.405 -1.027 -11.749 1.00 34.53 H new ATOM 0 HB2 LYS A 61 0.916 -3.911 -10.951 1.00 72.20 H new ATOM 0 HB3 LYS A 61 0.566 -3.191 -12.510 1.00 72.20 H new ATOM 0 HG2 LYS A 61 3.346 -3.487 -11.313 1.00 30.21 H new ATOM 0 HG3 LYS A 61 2.643 -4.561 -12.506 1.00 30.21 H new ATOM 0 HD2 LYS A 61 2.471 -2.688 -14.121 1.00 15.13 H new ATOM 0 HD3 LYS A 61 3.114 -1.580 -12.926 1.00 15.13 H new ATOM 0 HE2 LYS A 61 5.215 -2.895 -12.821 1.00 33.31 H new ATOM 0 HE3 LYS A 61 4.572 -4.032 -13.989 1.00 33.31 H new ATOM 0 HZ1 LYS A 61 6.017 -2.432 -15.027 1.00 53.11 H new ATOM 0 HZ2 LYS A 61 4.432 -2.247 -15.606 1.00 53.11 H new ATOM 0 HZ3 LYS A 61 5.055 -1.146 -14.474 1.00 53.11 H new ATOM 728 N ILE A 62 -0.998 -0.721 -11.253 1.00 23.25 N ATOM 729 CA ILE A 62 -2.349 -0.387 -10.888 1.00 23.42 C ATOM 730 C ILE A 62 -3.271 -1.607 -11.153 1.00 51.43 C ATOM 731 O ILE A 62 -3.293 -2.204 -12.245 1.00 72.04 O ATOM 732 CB ILE A 62 -2.828 0.939 -11.618 1.00 42.13 C ATOM 733 CG1 ILE A 62 -3.980 1.672 -10.870 1.00 72.25 C ATOM 734 CG2 ILE A 62 -3.194 0.703 -13.068 1.00 32.23 C ATOM 735 CD1 ILE A 62 -5.294 0.951 -10.781 1.00 60.50 C ATOM 0 H ILE A 62 -0.672 -0.279 -12.112 1.00 23.25 H new ATOM 0 HA ILE A 62 -2.401 -0.166 -9.822 1.00 23.42 H new ATOM 0 HB ILE A 62 -1.963 1.601 -11.596 1.00 42.13 H new ATOM 0 HG12 ILE A 62 -3.643 1.890 -9.857 1.00 72.25 H new ATOM 0 HG13 ILE A 62 -4.150 2.629 -11.363 1.00 72.25 H new ATOM 0 HG21 ILE A 62 -3.515 1.642 -13.520 1.00 32.23 H new ATOM 0 HG22 ILE A 62 -2.326 0.320 -13.605 1.00 32.23 H new ATOM 0 HG23 ILE A 62 -4.005 -0.023 -13.125 1.00 32.23 H new ATOM 0 HD11 ILE A 62 -6.011 1.567 -10.237 1.00 60.50 H new ATOM 0 HD12 ILE A 62 -5.671 0.756 -11.785 1.00 60.50 H new ATOM 0 HD13 ILE A 62 -5.156 0.006 -10.256 1.00 60.50 H new ATOM 747 N GLN A 63 -3.945 -1.998 -10.134 1.00 13.40 N ATOM 748 CA GLN A 63 -4.841 -3.100 -10.137 1.00 21.25 C ATOM 749 C GLN A 63 -6.220 -2.579 -9.821 1.00 41.53 C ATOM 750 O GLN A 63 -6.384 -1.693 -8.948 1.00 34.20 O ATOM 751 CB GLN A 63 -4.456 -4.125 -9.051 1.00 54.32 C ATOM 752 CG GLN A 63 -3.005 -4.561 -9.055 1.00 44.32 C ATOM 753 CD GLN A 63 -2.555 -5.160 -10.359 1.00 33.11 C ATOM 754 OE1 GLN A 63 -3.333 -5.762 -11.091 1.00 41.24 O ATOM 755 NE2 GLN A 63 -1.302 -5.006 -10.654 1.00 34.44 N ATOM 0 H GLN A 63 -3.885 -1.535 -9.227 1.00 13.40 H new ATOM 0 HA GLN A 63 -4.805 -3.586 -11.112 1.00 21.25 H new ATOM 0 HB2 GLN A 63 -4.687 -3.699 -8.075 1.00 54.32 H new ATOM 0 HB3 GLN A 63 -5.084 -5.008 -9.170 1.00 54.32 H new ATOM 0 HG2 GLN A 63 -2.376 -3.701 -8.825 1.00 44.32 H new ATOM 0 HG3 GLN A 63 -2.852 -5.290 -8.259 1.00 44.32 H new ATOM 0 HE21 GLN A 63 -0.687 -4.498 -10.018 1.00 34.44 H new ATOM 0 HE22 GLN A 63 -0.931 -5.392 -11.522 1.00 34.44 H new ATOM 764 N THR A 64 -7.176 -3.064 -10.539 1.00 71.14 N ATOM 765 CA THR A 64 -8.544 -2.746 -10.286 1.00 42.12 C ATOM 766 C THR A 64 -9.129 -3.831 -9.365 1.00 25.41 C ATOM 767 O THR A 64 -8.445 -4.839 -9.060 1.00 5.32 O ATOM 768 CB THR A 64 -9.353 -2.629 -11.632 1.00 2.51 C ATOM 769 OG1 THR A 64 -10.725 -2.270 -11.392 1.00 54.30 O ATOM 770 CG2 THR A 64 -9.308 -3.930 -12.422 1.00 31.34 C ATOM 0 H THR A 64 -7.031 -3.698 -11.325 1.00 71.14 H new ATOM 0 HA THR A 64 -8.617 -1.776 -9.794 1.00 42.12 H new ATOM 0 HB THR A 64 -8.877 -1.841 -12.215 1.00 2.51 H new ATOM 0 HG1 THR A 64 -11.200 -2.204 -12.247 1.00 54.30 H new ATOM 0 HG21 THR A 64 -9.876 -3.815 -13.345 1.00 31.34 H new ATOM 0 HG22 THR A 64 -8.273 -4.175 -12.661 1.00 31.34 H new ATOM 0 HG23 THR A 64 -9.743 -4.733 -11.826 1.00 31.34 H new ATOM 778 N THR A 65 -10.356 -3.627 -8.950 1.00 0.34 N ATOM 779 CA THR A 65 -11.099 -4.514 -8.083 1.00 11.43 C ATOM 780 C THR A 65 -11.080 -5.965 -8.607 1.00 40.33 C ATOM 781 O THR A 65 -10.950 -6.922 -7.830 1.00 60.34 O ATOM 782 CB THR A 65 -12.571 -3.965 -7.913 1.00 0.33 C ATOM 783 OG1 THR A 65 -13.359 -4.756 -7.013 1.00 44.33 O ATOM 784 CG2 THR A 65 -13.294 -3.797 -9.237 1.00 3.42 C ATOM 0 H THR A 65 -10.890 -2.800 -9.219 1.00 0.34 H new ATOM 0 HA THR A 65 -10.622 -4.538 -7.103 1.00 11.43 H new ATOM 0 HB THR A 65 -12.453 -2.976 -7.471 1.00 0.33 H new ATOM 0 HG1 THR A 65 -14.258 -4.373 -6.943 1.00 44.33 H new ATOM 0 HG21 THR A 65 -14.300 -3.417 -9.057 1.00 3.42 H new ATOM 0 HG22 THR A 65 -12.747 -3.092 -9.863 1.00 3.42 H new ATOM 0 HG23 THR A 65 -13.355 -4.761 -9.743 1.00 3.42 H new ATOM 792 N THR A 66 -11.149 -6.108 -9.920 1.00 1.11 N ATOM 793 CA THR A 66 -11.135 -7.391 -10.574 1.00 63.54 C ATOM 794 C THR A 66 -9.797 -8.113 -10.300 1.00 71.43 C ATOM 795 O THR A 66 -9.768 -9.268 -9.876 1.00 75.23 O ATOM 796 CB THR A 66 -11.294 -7.162 -12.082 1.00 74.30 C ATOM 797 OG1 THR A 66 -12.379 -6.248 -12.298 1.00 70.54 O ATOM 798 CG2 THR A 66 -11.573 -8.462 -12.811 1.00 43.44 C ATOM 0 H THR A 66 -11.217 -5.320 -10.564 1.00 1.11 H new ATOM 0 HA THR A 66 -11.948 -8.010 -10.194 1.00 63.54 H new ATOM 0 HB THR A 66 -10.364 -6.751 -12.474 1.00 74.30 H new ATOM 0 HG1 THR A 66 -12.489 -6.092 -13.259 1.00 70.54 H new ATOM 0 HG21 THR A 66 -11.681 -8.265 -13.878 1.00 43.44 H new ATOM 0 HG22 THR A 66 -10.746 -9.154 -12.651 1.00 43.44 H new ATOM 0 HG23 THR A 66 -12.494 -8.903 -12.429 1.00 43.44 H new ATOM 806 N ALA A 67 -8.711 -7.399 -10.523 1.00 33.15 N ATOM 807 CA ALA A 67 -7.362 -7.907 -10.338 1.00 60.52 C ATOM 808 C ALA A 67 -7.107 -8.309 -8.890 1.00 12.35 C ATOM 809 O ALA A 67 -6.663 -9.425 -8.628 1.00 42.40 O ATOM 810 CB ALA A 67 -6.363 -6.864 -10.776 1.00 61.50 C ATOM 0 H ALA A 67 -8.740 -6.431 -10.844 1.00 33.15 H new ATOM 0 HA ALA A 67 -7.248 -8.801 -10.951 1.00 60.52 H new ATOM 0 HB1 ALA A 67 -5.352 -7.247 -10.636 1.00 61.50 H new ATOM 0 HB2 ALA A 67 -6.520 -6.629 -11.829 1.00 61.50 H new ATOM 0 HB3 ALA A 67 -6.494 -5.961 -10.180 1.00 61.50 H new ATOM 816 N PHE A 68 -7.404 -7.402 -7.956 1.00 33.11 N ATOM 817 CA PHE A 68 -7.238 -7.670 -6.519 1.00 31.33 C ATOM 818 C PHE A 68 -7.975 -8.919 -6.133 1.00 2.54 C ATOM 819 O PHE A 68 -7.400 -9.831 -5.542 1.00 21.15 O ATOM 820 CB PHE A 68 -7.780 -6.503 -5.706 1.00 63.32 C ATOM 821 CG PHE A 68 -7.839 -6.709 -4.194 1.00 4.44 C ATOM 822 CD1 PHE A 68 -8.943 -7.314 -3.606 1.00 1.31 C ATOM 823 CD2 PHE A 68 -6.809 -6.292 -3.377 1.00 11.12 C ATOM 824 CE1 PHE A 68 -9.014 -7.503 -2.252 1.00 2.43 C ATOM 825 CE2 PHE A 68 -6.875 -6.480 -2.008 1.00 10.34 C ATOM 826 CZ PHE A 68 -7.979 -7.087 -1.445 1.00 13.21 C ATOM 0 H PHE A 68 -7.762 -6.471 -8.167 1.00 33.11 H new ATOM 0 HA PHE A 68 -6.175 -7.799 -6.314 1.00 31.33 H new ATOM 0 HB2 PHE A 68 -7.164 -5.627 -5.909 1.00 63.32 H new ATOM 0 HB3 PHE A 68 -8.785 -6.275 -6.061 1.00 63.32 H new ATOM 0 HD1 PHE A 68 -9.762 -7.642 -4.230 1.00 1.31 H new ATOM 0 HD2 PHE A 68 -5.943 -5.814 -3.810 1.00 11.12 H new ATOM 0 HE1 PHE A 68 -9.881 -7.978 -1.817 1.00 2.43 H new ATOM 0 HE2 PHE A 68 -6.061 -6.151 -1.379 1.00 10.34 H new ATOM 0 HZ PHE A 68 -8.031 -7.235 -0.376 1.00 13.21 H new ATOM 836 N LEU A 69 -9.258 -8.923 -6.440 1.00 65.12 N ATOM 837 CA LEU A 69 -10.140 -10.072 -6.175 1.00 34.03 C ATOM 838 C LEU A 69 -9.514 -11.375 -6.709 1.00 23.02 C ATOM 839 O LEU A 69 -9.509 -12.394 -6.015 1.00 5.13 O ATOM 840 CB LEU A 69 -11.540 -9.808 -6.783 1.00 71.22 C ATOM 841 CG LEU A 69 -12.751 -10.654 -6.299 1.00 42.21 C ATOM 842 CD1 LEU A 69 -12.668 -12.117 -6.710 1.00 2.43 C ATOM 843 CD2 LEU A 69 -12.913 -10.530 -4.796 1.00 34.31 C ATOM 0 H LEU A 69 -9.731 -8.134 -6.881 1.00 65.12 H new ATOM 0 HA LEU A 69 -10.259 -10.195 -5.099 1.00 34.03 H new ATOM 0 HB2 LEU A 69 -11.781 -8.760 -6.607 1.00 71.22 H new ATOM 0 HB3 LEU A 69 -11.459 -9.939 -7.862 1.00 71.22 H new ATOM 0 HG LEU A 69 -13.632 -10.247 -6.795 1.00 42.21 H new ATOM 0 HD11 LEU A 69 -13.544 -12.649 -6.340 1.00 2.43 H new ATOM 0 HD12 LEU A 69 -12.633 -12.188 -7.797 1.00 2.43 H new ATOM 0 HD13 LEU A 69 -11.768 -12.563 -6.288 1.00 2.43 H new ATOM 0 HD21 LEU A 69 -13.765 -11.128 -4.471 1.00 34.31 H new ATOM 0 HD22 LEU A 69 -12.010 -10.887 -4.302 1.00 34.31 H new ATOM 0 HD23 LEU A 69 -13.081 -9.486 -4.533 1.00 34.31 H new ATOM 855 N GLN A 70 -8.982 -11.323 -7.914 1.00 51.22 N ATOM 856 CA GLN A 70 -8.297 -12.450 -8.510 1.00 52.15 C ATOM 857 C GLN A 70 -7.116 -12.919 -7.653 1.00 53.24 C ATOM 858 O GLN A 70 -7.017 -14.107 -7.327 1.00 65.42 O ATOM 859 CB GLN A 70 -7.834 -12.109 -9.911 1.00 12.41 C ATOM 860 CG GLN A 70 -8.926 -12.124 -10.959 1.00 61.34 C ATOM 861 CD GLN A 70 -8.410 -11.683 -12.304 1.00 72.04 C ATOM 862 OE1 GLN A 70 -7.938 -12.486 -13.103 1.00 44.43 O ATOM 863 NE2 GLN A 70 -8.483 -10.419 -12.563 1.00 62.53 N ATOM 0 H GLN A 70 -9.013 -10.495 -8.508 1.00 51.22 H new ATOM 0 HA GLN A 70 -9.009 -13.274 -8.564 1.00 52.15 H new ATOM 0 HB2 GLN A 70 -7.376 -11.120 -9.897 1.00 12.41 H new ATOM 0 HB3 GLN A 70 -7.058 -12.816 -10.205 1.00 12.41 H new ATOM 0 HG2 GLN A 70 -9.340 -13.129 -11.039 1.00 61.34 H new ATOM 0 HG3 GLN A 70 -9.739 -11.468 -10.648 1.00 61.34 H new ATOM 0 HE21 GLN A 70 -8.882 -9.780 -11.875 1.00 62.53 H new ATOM 0 HE22 GLN A 70 -8.142 -10.061 -13.455 1.00 62.53 H new ATOM 872 N PHE A 71 -6.264 -11.988 -7.229 1.00 63.12 N ATOM 873 CA PHE A 71 -5.100 -12.351 -6.419 1.00 1.32 C ATOM 874 C PHE A 71 -5.563 -12.888 -5.059 1.00 31.40 C ATOM 875 O PHE A 71 -4.995 -13.831 -4.511 1.00 3.42 O ATOM 876 CB PHE A 71 -4.162 -11.157 -6.215 1.00 11.12 C ATOM 877 CG PHE A 71 -3.607 -10.539 -7.468 1.00 41.41 C ATOM 878 CD1 PHE A 71 -3.752 -9.182 -7.700 1.00 40.13 C ATOM 879 CD2 PHE A 71 -2.946 -11.310 -8.415 1.00 12.41 C ATOM 880 CE1 PHE A 71 -3.251 -8.600 -8.844 1.00 21.23 C ATOM 881 CE2 PHE A 71 -2.443 -10.731 -9.566 1.00 51.14 C ATOM 882 CZ PHE A 71 -2.597 -9.374 -9.778 1.00 72.35 C ATOM 0 H PHE A 71 -6.353 -10.992 -7.428 1.00 63.12 H new ATOM 0 HA PHE A 71 -4.546 -13.124 -6.952 1.00 1.32 H new ATOM 0 HB2 PHE A 71 -4.699 -10.388 -5.660 1.00 11.12 H new ATOM 0 HB3 PHE A 71 -3.328 -11.477 -5.590 1.00 11.12 H new ATOM 0 HD1 PHE A 71 -4.266 -8.570 -6.973 1.00 40.13 H new ATOM 0 HD2 PHE A 71 -2.824 -12.371 -8.251 1.00 12.41 H new ATOM 0 HE1 PHE A 71 -3.371 -7.539 -9.008 1.00 21.23 H new ATOM 0 HE2 PHE A 71 -1.931 -11.338 -10.298 1.00 51.14 H new ATOM 0 HZ PHE A 71 -2.205 -8.920 -10.676 1.00 72.35 H new ATOM 892 N PHE A 72 -6.600 -12.282 -4.544 1.00 41.43 N ATOM 893 CA PHE A 72 -7.234 -12.677 -3.306 1.00 3.41 C ATOM 894 C PHE A 72 -7.681 -14.138 -3.366 1.00 2.23 C ATOM 895 O PHE A 72 -7.244 -14.958 -2.553 1.00 51.13 O ATOM 896 CB PHE A 72 -8.409 -11.712 -3.010 1.00 75.44 C ATOM 897 CG PHE A 72 -9.536 -12.270 -2.183 1.00 15.24 C ATOM 898 CD1 PHE A 72 -9.457 -12.367 -0.809 1.00 74.11 C ATOM 899 CD2 PHE A 72 -10.695 -12.684 -2.810 1.00 24.12 C ATOM 900 CE1 PHE A 72 -10.519 -12.871 -0.086 1.00 72.41 C ATOM 901 CE2 PHE A 72 -11.750 -13.186 -2.090 1.00 34.42 C ATOM 902 CZ PHE A 72 -11.664 -13.279 -0.726 1.00 53.33 C ATOM 0 H PHE A 72 -7.043 -11.476 -4.985 1.00 41.43 H new ATOM 0 HA PHE A 72 -6.520 -12.608 -2.485 1.00 3.41 H new ATOM 0 HB2 PHE A 72 -8.011 -10.835 -2.500 1.00 75.44 H new ATOM 0 HB3 PHE A 72 -8.819 -11.369 -3.960 1.00 75.44 H new ATOM 0 HD1 PHE A 72 -8.561 -12.047 -0.298 1.00 74.11 H new ATOM 0 HD2 PHE A 72 -10.772 -12.611 -3.885 1.00 24.12 H new ATOM 0 HE1 PHE A 72 -10.449 -12.945 0.989 1.00 72.41 H new ATOM 0 HE2 PHE A 72 -12.647 -13.507 -2.598 1.00 34.42 H new ATOM 0 HZ PHE A 72 -12.493 -13.672 -0.156 1.00 53.33 H new ATOM 912 N ARG A 73 -8.457 -14.473 -4.385 1.00 4.42 N ATOM 913 CA ARG A 73 -9.012 -15.802 -4.509 1.00 33.51 C ATOM 914 C ARG A 73 -7.947 -16.821 -4.888 1.00 72.01 C ATOM 915 O ARG A 73 -8.119 -18.021 -4.676 1.00 41.21 O ATOM 916 CB ARG A 73 -10.217 -15.833 -5.463 1.00 31.41 C ATOM 917 CG ARG A 73 -9.909 -15.443 -6.895 1.00 22.41 C ATOM 918 CD ARG A 73 -11.161 -15.426 -7.749 1.00 70.44 C ATOM 919 NE ARG A 73 -11.831 -16.732 -7.792 1.00 23.24 N ATOM 920 CZ ARG A 73 -12.934 -17.005 -8.508 1.00 74.42 C ATOM 921 NH1 ARG A 73 -13.502 -16.069 -9.261 1.00 60.40 N ATOM 922 NH2 ARG A 73 -13.459 -18.216 -8.473 1.00 14.41 N ATOM 0 H ARG A 73 -8.715 -13.836 -5.139 1.00 4.42 H new ATOM 0 HA ARG A 73 -9.388 -16.090 -3.527 1.00 33.51 H new ATOM 0 HB2 ARG A 73 -10.639 -16.838 -5.459 1.00 31.41 H new ATOM 0 HB3 ARG A 73 -10.985 -15.163 -5.077 1.00 31.41 H new ATOM 0 HG2 ARG A 73 -9.442 -14.458 -6.912 1.00 22.41 H new ATOM 0 HG3 ARG A 73 -9.189 -16.144 -7.317 1.00 22.41 H new ATOM 0 HD2 ARG A 73 -11.853 -14.679 -7.359 1.00 70.44 H new ATOM 0 HD3 ARG A 73 -10.901 -15.121 -8.763 1.00 70.44 H new ATOM 0 HE ARG A 73 -11.429 -17.488 -7.237 1.00 23.24 H new ATOM 0 HH11 ARG A 73 -13.100 -15.132 -9.299 1.00 60.40 H new ATOM 0 HH12 ARG A 73 -14.340 -16.287 -9.801 1.00 60.40 H new ATOM 0 HH21 ARG A 73 -13.027 -18.943 -7.903 1.00 14.41 H new ATOM 0 HH22 ARG A 73 -14.297 -18.425 -9.016 1.00 14.41 H new ATOM 936 N GLN A 74 -6.852 -16.347 -5.475 1.00 35.13 N ATOM 937 CA GLN A 74 -5.719 -17.196 -5.740 1.00 52.24 C ATOM 938 C GLN A 74 -4.892 -17.469 -4.491 1.00 43.50 C ATOM 939 O GLN A 74 -4.074 -18.392 -4.460 1.00 3.33 O ATOM 940 CB GLN A 74 -4.864 -16.617 -6.821 1.00 42.20 C ATOM 941 CG GLN A 74 -5.462 -16.777 -8.186 1.00 71.21 C ATOM 942 CD GLN A 74 -5.593 -18.234 -8.587 1.00 23.10 C ATOM 943 OE1 GLN A 74 -4.673 -18.825 -9.140 1.00 23.04 O ATOM 944 NE2 GLN A 74 -6.729 -18.815 -8.341 1.00 2.15 N ATOM 0 H GLN A 74 -6.735 -15.378 -5.772 1.00 35.13 H new ATOM 0 HA GLN A 74 -6.114 -18.154 -6.078 1.00 52.24 H new ATOM 0 HB2 GLN A 74 -4.704 -15.557 -6.622 1.00 42.20 H new ATOM 0 HB3 GLN A 74 -3.886 -17.097 -6.800 1.00 42.20 H new ATOM 0 HG2 GLN A 74 -6.445 -16.306 -8.208 1.00 71.21 H new ATOM 0 HG3 GLN A 74 -4.843 -16.255 -8.916 1.00 71.21 H new ATOM 0 HE21 GLN A 74 -7.477 -18.298 -7.879 1.00 2.15 H new ATOM 0 HE22 GLN A 74 -6.873 -19.788 -8.610 1.00 2.15 H new ATOM 953 N GLY A 75 -5.094 -16.670 -3.467 1.00 14.23 N ATOM 954 CA GLY A 75 -4.400 -16.889 -2.225 1.00 34.25 C ATOM 955 C GLY A 75 -3.209 -15.985 -2.015 1.00 10.21 C ATOM 956 O GLY A 75 -2.319 -16.302 -1.236 1.00 1.24 O ATOM 0 H GLY A 75 -5.728 -15.871 -3.472 1.00 14.23 H new ATOM 0 HA2 GLY A 75 -5.099 -16.748 -1.401 1.00 34.25 H new ATOM 0 HA3 GLY A 75 -4.067 -17.926 -2.186 1.00 34.25 H new ATOM 960 N LEU A 76 -3.180 -14.873 -2.702 1.00 33.54 N ATOM 961 CA LEU A 76 -2.097 -13.904 -2.539 1.00 3.14 C ATOM 962 C LEU A 76 -2.290 -13.116 -1.256 1.00 15.15 C ATOM 963 O LEU A 76 -1.447 -13.121 -0.370 1.00 11.30 O ATOM 964 CB LEU A 76 -2.030 -12.922 -3.729 1.00 73.25 C ATOM 965 CG LEU A 76 -1.408 -13.396 -5.068 1.00 71.53 C ATOM 966 CD1 LEU A 76 0.076 -13.664 -4.915 1.00 21.22 C ATOM 967 CD2 LEU A 76 -2.099 -14.624 -5.634 1.00 70.13 C ATOM 0 H LEU A 76 -3.889 -14.604 -3.384 1.00 33.54 H new ATOM 0 HA LEU A 76 -1.162 -14.462 -2.497 1.00 3.14 H new ATOM 0 HB2 LEU A 76 -3.047 -12.591 -3.939 1.00 73.25 H new ATOM 0 HB3 LEU A 76 -1.471 -12.046 -3.400 1.00 73.25 H new ATOM 0 HG LEU A 76 -1.555 -12.581 -5.777 1.00 71.53 H new ATOM 0 HD11 LEU A 76 0.486 -13.995 -5.869 1.00 21.22 H new ATOM 0 HD12 LEU A 76 0.580 -12.750 -4.601 1.00 21.22 H new ATOM 0 HD13 LEU A 76 0.230 -14.440 -4.165 1.00 21.22 H new ATOM 0 HD21 LEU A 76 -1.622 -14.911 -6.571 1.00 70.13 H new ATOM 0 HD22 LEU A 76 -2.022 -15.445 -4.922 1.00 70.13 H new ATOM 0 HD23 LEU A 76 -3.150 -14.399 -5.816 1.00 70.13 H new ATOM 979 N PHE A 77 -3.454 -12.509 -1.122 1.00 64.15 N ATOM 980 CA PHE A 77 -3.724 -11.626 0.005 1.00 1.21 C ATOM 981 C PHE A 77 -4.157 -12.392 1.236 1.00 5.42 C ATOM 982 O PHE A 77 -4.455 -11.811 2.260 1.00 30.25 O ATOM 983 CB PHE A 77 -4.750 -10.555 -0.363 1.00 14.51 C ATOM 984 CG PHE A 77 -4.329 -9.711 -1.531 1.00 0.34 C ATOM 985 CD1 PHE A 77 -3.159 -8.965 -1.484 1.00 1.31 C ATOM 986 CD2 PHE A 77 -5.095 -9.666 -2.673 1.00 20.13 C ATOM 987 CE1 PHE A 77 -2.772 -8.195 -2.562 1.00 54.24 C ATOM 988 CE2 PHE A 77 -4.714 -8.897 -3.747 1.00 64.23 C ATOM 989 CZ PHE A 77 -3.555 -8.162 -3.697 1.00 34.25 C ATOM 0 H PHE A 77 -4.229 -12.609 -1.777 1.00 64.15 H new ATOM 0 HA PHE A 77 -2.786 -11.126 0.249 1.00 1.21 H new ATOM 0 HB2 PHE A 77 -5.701 -11.036 -0.594 1.00 14.51 H new ATOM 0 HB3 PHE A 77 -4.920 -9.911 0.500 1.00 14.51 H new ATOM 0 HD1 PHE A 77 -2.546 -8.987 -0.595 1.00 1.31 H new ATOM 0 HD2 PHE A 77 -6.007 -10.242 -2.726 1.00 20.13 H new ATOM 0 HE1 PHE A 77 -1.859 -7.620 -2.517 1.00 54.24 H new ATOM 0 HE2 PHE A 77 -5.329 -8.871 -4.634 1.00 64.23 H new ATOM 0 HZ PHE A 77 -3.258 -7.560 -4.543 1.00 34.25 H new ATOM 999 N LYS A 78 -4.113 -13.700 1.150 1.00 44.41 N ATOM 1000 CA LYS A 78 -4.472 -14.555 2.268 1.00 11.24 C ATOM 1001 C LYS A 78 -3.391 -14.546 3.336 1.00 70.13 C ATOM 1002 O LYS A 78 -3.591 -14.996 4.471 1.00 62.12 O ATOM 1003 CB LYS A 78 -4.809 -15.965 1.807 1.00 23.24 C ATOM 1004 CG LYS A 78 -6.055 -16.003 0.951 1.00 31.41 C ATOM 1005 CD LYS A 78 -6.489 -17.415 0.634 1.00 33.23 C ATOM 1006 CE LYS A 78 -7.765 -17.394 -0.179 1.00 44.01 C ATOM 1007 NZ LYS A 78 -8.314 -18.734 -0.408 1.00 73.52 N ATOM 0 H LYS A 78 -3.830 -14.204 0.310 1.00 44.41 H new ATOM 0 HA LYS A 78 -5.376 -14.148 2.722 1.00 11.24 H new ATOM 0 HB2 LYS A 78 -3.970 -16.371 1.242 1.00 23.24 H new ATOM 0 HB3 LYS A 78 -4.948 -16.607 2.677 1.00 23.24 H new ATOM 0 HG2 LYS A 78 -6.863 -15.484 1.466 1.00 31.41 H new ATOM 0 HG3 LYS A 78 -5.871 -15.464 0.021 1.00 31.41 H new ATOM 0 HD2 LYS A 78 -5.704 -17.930 0.080 1.00 33.23 H new ATOM 0 HD3 LYS A 78 -6.646 -17.972 1.558 1.00 33.23 H new ATOM 0 HE2 LYS A 78 -8.508 -16.785 0.335 1.00 44.01 H new ATOM 0 HE3 LYS A 78 -7.571 -16.917 -1.140 1.00 44.01 H new ATOM 0 HZ1 LYS A 78 -9.186 -18.660 -0.969 1.00 73.52 H new ATOM 0 HZ2 LYS A 78 -7.619 -19.311 -0.923 1.00 73.52 H new ATOM 0 HZ3 LYS A 78 -8.527 -19.183 0.506 1.00 73.52 H new ATOM 1021 N LYS A 79 -2.238 -14.035 2.959 1.00 40.43 N ATOM 1022 CA LYS A 79 -1.123 -13.891 3.871 1.00 33.33 C ATOM 1023 C LYS A 79 -1.266 -12.561 4.615 1.00 2.42 C ATOM 1024 O LYS A 79 -0.726 -12.374 5.701 1.00 12.35 O ATOM 1025 CB LYS A 79 0.198 -13.867 3.087 1.00 52.24 C ATOM 1026 CG LYS A 79 0.423 -15.018 2.104 1.00 2.11 C ATOM 1027 CD LYS A 79 1.728 -14.797 1.345 1.00 55.52 C ATOM 1028 CE LYS A 79 2.032 -15.882 0.317 1.00 34.04 C ATOM 1029 NZ LYS A 79 3.358 -15.658 -0.338 1.00 4.52 N ATOM 0 H LYS A 79 -2.047 -13.708 2.012 1.00 40.43 H new ATOM 0 HA LYS A 79 -1.119 -14.728 4.569 1.00 33.33 H new ATOM 0 HB2 LYS A 79 0.251 -12.929 2.534 1.00 52.24 H new ATOM 0 HB3 LYS A 79 1.021 -13.862 3.802 1.00 52.24 H new ATOM 0 HG2 LYS A 79 0.459 -15.966 2.641 1.00 2.11 H new ATOM 0 HG3 LYS A 79 -0.410 -15.080 1.404 1.00 2.11 H new ATOM 0 HD2 LYS A 79 1.685 -13.832 0.840 1.00 55.52 H new ATOM 0 HD3 LYS A 79 2.549 -14.746 2.060 1.00 55.52 H new ATOM 0 HE2 LYS A 79 2.025 -16.858 0.803 1.00 34.04 H new ATOM 0 HE3 LYS A 79 1.248 -15.897 -0.441 1.00 34.04 H new ATOM 0 HZ1 LYS A 79 3.535 -16.413 -1.031 1.00 4.52 H new ATOM 0 HZ2 LYS A 79 3.355 -14.737 -0.822 1.00 4.52 H new ATOM 0 HZ3 LYS A 79 4.107 -15.668 0.383 1.00 4.52 H new ATOM 1043 N LEU A 80 -2.066 -11.678 4.046 1.00 13.23 N ATOM 1044 CA LEU A 80 -2.189 -10.308 4.513 1.00 15.11 C ATOM 1045 C LEU A 80 -3.064 -10.217 5.763 1.00 54.51 C ATOM 1046 O LEU A 80 -3.044 -9.219 6.465 1.00 13.35 O ATOM 1047 CB LEU A 80 -2.687 -9.418 3.332 1.00 71.24 C ATOM 1048 CG LEU A 80 -2.812 -7.887 3.527 1.00 41.03 C ATOM 1049 CD1 LEU A 80 -2.734 -7.213 2.175 1.00 1.50 C ATOM 1050 CD2 LEU A 80 -4.148 -7.511 4.166 1.00 15.22 C ATOM 0 H LEU A 80 -2.654 -11.893 3.240 1.00 13.23 H new ATOM 0 HA LEU A 80 -1.216 -9.930 4.827 1.00 15.11 H new ATOM 0 HB2 LEU A 80 -2.014 -9.586 2.491 1.00 71.24 H new ATOM 0 HB3 LEU A 80 -3.667 -9.790 3.035 1.00 71.24 H new ATOM 0 HG LEU A 80 -2.003 -7.563 4.182 1.00 41.03 H new ATOM 0 HD11 LEU A 80 -2.821 -6.134 2.301 1.00 1.50 H new ATOM 0 HD12 LEU A 80 -1.778 -7.448 1.706 1.00 1.50 H new ATOM 0 HD13 LEU A 80 -3.546 -7.571 1.542 1.00 1.50 H new ATOM 0 HD21 LEU A 80 -4.201 -6.429 4.288 1.00 15.22 H new ATOM 0 HD22 LEU A 80 -4.964 -7.845 3.525 1.00 15.22 H new ATOM 0 HD23 LEU A 80 -4.233 -7.991 5.141 1.00 15.22 H new ATOM 1062 N LYS A 81 -3.768 -11.288 6.091 1.00 4.22 N ATOM 1063 CA LYS A 81 -4.632 -11.257 7.283 1.00 4.32 C ATOM 1064 C LYS A 81 -3.762 -11.329 8.535 1.00 31.32 C ATOM 1065 O LYS A 81 -4.130 -10.860 9.608 1.00 41.11 O ATOM 1066 CB LYS A 81 -5.642 -12.416 7.282 1.00 21.33 C ATOM 1067 CG LYS A 81 -5.012 -13.782 7.488 1.00 52.43 C ATOM 1068 CD LYS A 81 -6.029 -14.898 7.409 1.00 71.30 C ATOM 1069 CE LYS A 81 -5.381 -16.239 7.664 1.00 12.14 C ATOM 1070 NZ LYS A 81 -4.150 -16.401 6.863 1.00 32.44 N ATOM 0 H LYS A 81 -3.768 -12.168 5.575 1.00 4.22 H new ATOM 0 HA LYS A 81 -5.198 -10.326 7.272 1.00 4.32 H new ATOM 0 HB2 LYS A 81 -6.378 -12.244 8.067 1.00 21.33 H new ATOM 0 HB3 LYS A 81 -6.181 -12.415 6.334 1.00 21.33 H new ATOM 0 HG2 LYS A 81 -4.241 -13.942 6.735 1.00 52.43 H new ATOM 0 HG3 LYS A 81 -4.519 -13.810 8.460 1.00 52.43 H new ATOM 0 HD2 LYS A 81 -6.819 -14.727 8.140 1.00 71.30 H new ATOM 0 HD3 LYS A 81 -6.499 -14.898 6.425 1.00 71.30 H new ATOM 0 HE2 LYS A 81 -5.143 -16.335 8.723 1.00 12.14 H new ATOM 0 HE3 LYS A 81 -6.083 -17.037 7.421 1.00 12.14 H new ATOM 0 HZ1 LYS A 81 -4.053 -17.395 6.572 1.00 32.44 H new ATOM 0 HZ2 LYS A 81 -4.203 -15.797 6.018 1.00 32.44 H new ATOM 0 HZ3 LYS A 81 -3.326 -16.126 7.434 1.00 32.44 H new ATOM 1084 N ASP A 82 -2.572 -11.875 8.354 1.00 44.24 N ATOM 1085 CA ASP A 82 -1.633 -12.083 9.435 1.00 2.04 C ATOM 1086 C ASP A 82 -0.635 -10.939 9.488 1.00 3.22 C ATOM 1087 O ASP A 82 0.384 -11.013 10.176 1.00 4.32 O ATOM 1088 CB ASP A 82 -0.900 -13.433 9.266 1.00 70.15 C ATOM 1089 CG ASP A 82 -1.808 -14.651 9.402 1.00 4.24 C ATOM 1090 OD1 ASP A 82 -2.154 -15.298 8.369 1.00 60.40 O ATOM 1091 OD2 ASP A 82 -2.177 -15.007 10.544 1.00 54.34 O ATOM 0 H ASP A 82 -2.231 -12.188 7.445 1.00 44.24 H new ATOM 0 HA ASP A 82 -2.185 -12.110 10.375 1.00 2.04 H new ATOM 0 HB2 ASP A 82 -0.422 -13.456 8.286 1.00 70.15 H new ATOM 0 HB3 ASP A 82 -0.106 -13.499 10.009 1.00 70.15 H new ATOM 1096 N ALA A 83 -0.948 -9.872 8.777 1.00 21.03 N ATOM 1097 CA ALA A 83 -0.090 -8.713 8.691 1.00 65.14 C ATOM 1098 C ALA A 83 -0.257 -7.805 9.895 1.00 23.15 C ATOM 1099 O ALA A 83 -1.353 -7.703 10.468 1.00 2.43 O ATOM 1100 CB ALA A 83 -0.368 -7.940 7.416 1.00 62.22 C ATOM 0 H ALA A 83 -1.811 -9.788 8.241 1.00 21.03 H new ATOM 0 HA ALA A 83 0.940 -9.068 8.677 1.00 65.14 H new ATOM 0 HB1 ALA A 83 0.287 -7.070 7.368 1.00 62.22 H new ATOM 0 HB2 ALA A 83 -0.184 -8.581 6.554 1.00 62.22 H new ATOM 0 HB3 ALA A 83 -1.407 -7.612 7.409 1.00 62.22 H new ATOM 1106 N GLU A 84 0.826 -7.162 10.273 1.00 74.34 N ATOM 1107 CA GLU A 84 0.835 -6.227 11.384 1.00 64.02 C ATOM 1108 C GLU A 84 0.581 -4.832 10.853 1.00 65.33 C ATOM 1109 O GLU A 84 1.080 -4.488 9.786 1.00 45.32 O ATOM 1110 CB GLU A 84 2.192 -6.247 12.107 1.00 63.13 C ATOM 1111 CG GLU A 84 3.393 -5.969 11.206 1.00 40.22 C ATOM 1112 CD GLU A 84 4.663 -5.713 11.971 1.00 2.34 C ATOM 1113 OE1 GLU A 84 5.258 -6.663 12.511 1.00 51.12 O ATOM 1114 OE2 GLU A 84 5.111 -4.543 12.033 1.00 12.20 O ATOM 0 H GLU A 84 1.732 -7.272 9.818 1.00 74.34 H new ATOM 0 HA GLU A 84 0.058 -6.517 12.092 1.00 64.02 H new ATOM 0 HB2 GLU A 84 2.174 -5.506 12.907 1.00 63.13 H new ATOM 0 HB3 GLU A 84 2.324 -7.221 12.578 1.00 63.13 H new ATOM 0 HG2 GLU A 84 3.543 -6.818 10.540 1.00 40.22 H new ATOM 0 HG3 GLU A 84 3.175 -5.106 10.578 1.00 40.22 H new ATOM 1121 N PHE A 85 -0.162 -4.031 11.570 1.00 21.03 N ATOM 1122 CA PHE A 85 -0.430 -2.684 11.121 1.00 45.54 C ATOM 1123 C PHE A 85 0.367 -1.664 11.903 1.00 55.51 C ATOM 1124 O PHE A 85 0.565 -1.802 13.121 1.00 70.21 O ATOM 1125 CB PHE A 85 -1.942 -2.344 11.103 1.00 35.04 C ATOM 1126 CG PHE A 85 -2.692 -2.515 12.404 1.00 42.13 C ATOM 1127 CD1 PHE A 85 -2.868 -1.444 13.269 1.00 50.32 C ATOM 1128 CD2 PHE A 85 -3.244 -3.742 12.746 1.00 55.31 C ATOM 1129 CE1 PHE A 85 -3.573 -1.596 14.447 1.00 62.52 C ATOM 1130 CE2 PHE A 85 -3.947 -3.899 13.923 1.00 73.42 C ATOM 1131 CZ PHE A 85 -4.113 -2.826 14.775 1.00 35.30 C ATOM 0 H PHE A 85 -0.591 -4.282 12.461 1.00 21.03 H new ATOM 0 HA PHE A 85 -0.096 -2.635 10.085 1.00 45.54 H new ATOM 0 HB2 PHE A 85 -2.054 -1.309 10.779 1.00 35.04 H new ATOM 0 HB3 PHE A 85 -2.422 -2.968 10.349 1.00 35.04 H new ATOM 0 HD1 PHE A 85 -2.449 -0.481 13.018 1.00 50.32 H new ATOM 0 HD2 PHE A 85 -3.122 -4.585 12.082 1.00 55.31 H new ATOM 0 HE1 PHE A 85 -3.702 -0.755 15.112 1.00 62.52 H new ATOM 0 HE2 PHE A 85 -4.367 -4.861 14.177 1.00 73.42 H new ATOM 0 HZ PHE A 85 -4.664 -2.947 15.696 1.00 35.30 H new ATOM 1300 N GLU A 97 -8.412 14.940 5.998 1.00 62.01 N ATOM 1301 CA GLU A 97 -7.283 14.135 6.403 1.00 35.23 C ATOM 1302 C GLU A 97 -7.200 12.809 5.698 1.00 14.41 C ATOM 1303 O GLU A 97 -8.216 12.161 5.424 1.00 64.41 O ATOM 1304 CB GLU A 97 -7.135 13.987 7.938 1.00 11.04 C ATOM 1305 CG GLU A 97 -8.371 13.570 8.708 1.00 62.33 C ATOM 1306 CD GLU A 97 -9.294 14.725 8.973 1.00 63.21 C ATOM 1307 OE1 GLU A 97 -9.241 15.313 10.069 1.00 2.54 O ATOM 1308 OE2 GLU A 97 -10.069 15.078 8.111 1.00 1.51 O ATOM 0 HA GLU A 97 -6.419 14.710 6.072 1.00 35.23 H new ATOM 0 HB2 GLU A 97 -6.350 13.256 8.134 1.00 11.04 H new ATOM 0 HB3 GLU A 97 -6.791 14.940 8.339 1.00 11.04 H new ATOM 0 HG2 GLU A 97 -8.904 12.803 8.147 1.00 62.33 H new ATOM 0 HG3 GLU A 97 -8.072 13.122 9.656 1.00 62.33 H new ATOM 1315 N GLY A 98 -5.994 12.426 5.382 1.00 10.33 N ATOM 1316 CA GLY A 98 -5.775 11.204 4.712 1.00 50.14 C ATOM 1317 C GLY A 98 -4.899 10.342 5.533 1.00 62.31 C ATOM 1318 O GLY A 98 -3.906 10.800 6.069 1.00 52.14 O ATOM 0 H GLY A 98 -5.149 12.959 5.587 1.00 10.33 H new ATOM 0 HA2 GLY A 98 -6.725 10.703 4.526 1.00 50.14 H new ATOM 0 HA3 GLY A 98 -5.316 11.387 3.740 1.00 50.14 H new ATOM 1322 N TYR A 99 -5.226 9.105 5.612 1.00 72.14 N ATOM 1323 CA TYR A 99 -4.506 8.208 6.440 1.00 41.52 C ATOM 1324 C TYR A 99 -3.713 7.307 5.553 1.00 62.20 C ATOM 1325 O TYR A 99 -4.196 6.908 4.485 1.00 1.31 O ATOM 1326 CB TYR A 99 -5.465 7.354 7.287 1.00 41.43 C ATOM 1327 CG TYR A 99 -6.677 8.097 7.820 1.00 34.12 C ATOM 1328 CD1 TYR A 99 -6.558 9.173 8.694 1.00 22.40 C ATOM 1329 CD2 TYR A 99 -7.947 7.709 7.435 1.00 63.24 C ATOM 1330 CE1 TYR A 99 -7.686 9.837 9.158 1.00 64.12 C ATOM 1331 CE2 TYR A 99 -9.067 8.354 7.886 1.00 5.23 C ATOM 1332 CZ TYR A 99 -8.940 9.421 8.746 1.00 35.32 C ATOM 1333 OH TYR A 99 -10.072 10.067 9.202 1.00 71.00 O ATOM 0 H TYR A 99 -6.003 8.684 5.103 1.00 72.14 H new ATOM 0 HA TYR A 99 -3.862 8.773 7.114 1.00 41.52 H new ATOM 0 HB2 TYR A 99 -5.808 6.513 6.685 1.00 41.43 H new ATOM 0 HB3 TYR A 99 -4.912 6.939 8.129 1.00 41.43 H new ATOM 0 HD1 TYR A 99 -5.578 9.495 9.015 1.00 22.40 H new ATOM 0 HD2 TYR A 99 -8.058 6.874 6.760 1.00 63.24 H new ATOM 0 HE1 TYR A 99 -7.585 10.672 9.835 1.00 64.12 H new ATOM 0 HE2 TYR A 99 -10.046 8.027 7.568 1.00 5.23 H new ATOM 0 HH TYR A 99 -10.867 9.647 8.813 1.00 71.00 H new ATOM 1343 N LYS A 100 -2.513 7.016 5.957 1.00 23.35 N ATOM 1344 CA LYS A 100 -1.692 6.078 5.261 1.00 24.33 C ATOM 1345 C LYS A 100 -1.277 5.051 6.249 1.00 43.31 C ATOM 1346 O LYS A 100 -0.391 5.281 7.080 1.00 14.43 O ATOM 1347 CB LYS A 100 -0.467 6.700 4.578 1.00 54.41 C ATOM 1348 CG LYS A 100 -0.783 7.783 3.554 1.00 40.42 C ATOM 1349 CD LYS A 100 0.325 7.898 2.515 1.00 34.42 C ATOM 1350 CE LYS A 100 1.686 8.196 3.109 1.00 34.11 C ATOM 1351 NZ LYS A 100 2.750 8.008 2.110 1.00 52.34 N ATOM 0 H LYS A 100 -2.076 7.426 6.783 1.00 23.35 H new ATOM 0 HA LYS A 100 -2.273 5.650 4.444 1.00 24.33 H new ATOM 0 HB2 LYS A 100 0.182 7.124 5.345 1.00 54.41 H new ATOM 0 HB3 LYS A 100 0.097 5.908 4.085 1.00 54.41 H new ATOM 0 HG2 LYS A 100 -1.727 7.555 3.059 1.00 40.42 H new ATOM 0 HG3 LYS A 100 -0.911 8.740 4.060 1.00 40.42 H new ATOM 0 HD2 LYS A 100 0.380 6.967 1.951 1.00 34.42 H new ATOM 0 HD3 LYS A 100 0.067 8.685 1.807 1.00 34.42 H new ATOM 0 HE2 LYS A 100 1.708 9.220 3.481 1.00 34.11 H new ATOM 0 HE3 LYS A 100 1.865 7.543 3.963 1.00 34.11 H new ATOM 0 HZ1 LYS A 100 3.643 8.393 2.478 1.00 52.34 H new ATOM 0 HZ2 LYS A 100 2.865 6.993 1.912 1.00 52.34 H new ATOM 0 HZ3 LYS A 100 2.494 8.505 1.233 1.00 52.34 H new ATOM 1365 N LEU A 101 -1.955 3.973 6.223 1.00 30.44 N ATOM 1366 CA LEU A 101 -1.739 2.923 7.174 1.00 43.12 C ATOM 1367 C LEU A 101 -0.948 1.844 6.500 1.00 32.43 C ATOM 1368 O LEU A 101 -1.249 1.493 5.361 1.00 44.40 O ATOM 1369 CB LEU A 101 -3.095 2.412 7.655 1.00 74.35 C ATOM 1370 CG LEU A 101 -4.036 3.499 8.203 1.00 62.14 C ATOM 1371 CD1 LEU A 101 -5.395 2.931 8.532 1.00 0.23 C ATOM 1372 CD2 LEU A 101 -3.436 4.180 9.423 1.00 31.35 C ATOM 0 H LEU A 101 -2.687 3.778 5.540 1.00 30.44 H new ATOM 0 HA LEU A 101 -1.183 3.274 8.043 1.00 43.12 H new ATOM 0 HB2 LEU A 101 -3.591 1.905 6.827 1.00 74.35 H new ATOM 0 HB3 LEU A 101 -2.932 1.667 8.433 1.00 74.35 H new ATOM 0 HG LEU A 101 -4.161 4.247 7.420 1.00 62.14 H new ATOM 0 HD11 LEU A 101 -6.037 3.723 8.917 1.00 0.23 H new ATOM 0 HD12 LEU A 101 -5.840 2.508 7.631 1.00 0.23 H new ATOM 0 HD13 LEU A 101 -5.290 2.151 9.286 1.00 0.23 H new ATOM 0 HD21 LEU A 101 -4.123 4.943 9.788 1.00 31.35 H new ATOM 0 HD22 LEU A 101 -3.266 3.441 10.205 1.00 31.35 H new ATOM 0 HD23 LEU A 101 -2.488 4.645 9.151 1.00 31.35 H new ATOM 1384 N VAL A 102 0.062 1.333 7.158 1.00 11.11 N ATOM 1385 CA VAL A 102 0.903 0.371 6.517 1.00 65.20 C ATOM 1386 C VAL A 102 0.998 -0.937 7.287 1.00 63.22 C ATOM 1387 O VAL A 102 1.304 -0.967 8.481 1.00 32.51 O ATOM 1388 CB VAL A 102 2.309 0.950 6.151 1.00 13.24 C ATOM 1389 CG1 VAL A 102 3.080 1.419 7.377 1.00 34.21 C ATOM 1390 CG2 VAL A 102 3.130 -0.034 5.317 1.00 60.25 C ATOM 0 H VAL A 102 0.314 1.565 8.119 1.00 11.11 H new ATOM 0 HA VAL A 102 0.414 0.131 5.573 1.00 65.20 H new ATOM 0 HB VAL A 102 2.129 1.831 5.535 1.00 13.24 H new ATOM 0 HG11 VAL A 102 4.049 1.812 7.069 1.00 34.21 H new ATOM 0 HG12 VAL A 102 2.516 2.201 7.884 1.00 34.21 H new ATOM 0 HG13 VAL A 102 3.228 0.580 8.057 1.00 34.21 H new ATOM 0 HG21 VAL A 102 4.099 0.407 5.084 1.00 60.25 H new ATOM 0 HG22 VAL A 102 3.276 -0.955 5.881 1.00 60.25 H new ATOM 0 HG23 VAL A 102 2.600 -0.256 4.391 1.00 60.25 H new ATOM 1400 N TRP A 103 0.689 -1.992 6.600 1.00 61.04 N ATOM 1401 CA TRP A 103 0.772 -3.328 7.126 1.00 34.40 C ATOM 1402 C TRP A 103 2.016 -3.984 6.631 1.00 25.41 C ATOM 1403 O TRP A 103 2.500 -3.666 5.548 1.00 31.01 O ATOM 1404 CB TRP A 103 -0.422 -4.204 6.709 1.00 3.24 C ATOM 1405 CG TRP A 103 -1.723 -3.861 7.345 1.00 24.11 C ATOM 1406 CD1 TRP A 103 -2.329 -4.541 8.357 1.00 21.21 C ATOM 1407 CD2 TRP A 103 -2.587 -2.772 7.018 1.00 63.24 C ATOM 1408 NE1 TRP A 103 -3.510 -3.938 8.684 1.00 44.12 N ATOM 1409 CE2 TRP A 103 -3.689 -2.848 7.880 1.00 73.11 C ATOM 1410 CE3 TRP A 103 -2.532 -1.738 6.086 1.00 5.51 C ATOM 1411 CZ2 TRP A 103 -4.723 -1.934 7.837 1.00 14.33 C ATOM 1412 CZ3 TRP A 103 -3.560 -0.831 6.044 1.00 74.11 C ATOM 1413 CH2 TRP A 103 -4.642 -0.931 6.916 1.00 73.15 C ATOM 0 H TRP A 103 0.364 -1.952 5.634 1.00 61.04 H new ATOM 0 HA TRP A 103 0.771 -3.238 8.212 1.00 34.40 H new ATOM 0 HB2 TRP A 103 -0.538 -4.138 5.627 1.00 3.24 H new ATOM 0 HB3 TRP A 103 -0.187 -5.243 6.942 1.00 3.24 H new ATOM 0 HD1 TRP A 103 -1.934 -5.427 8.831 1.00 21.21 H new ATOM 0 HE1 TRP A 103 -4.154 -4.251 9.411 1.00 44.12 H new ATOM 0 HE3 TRP A 103 -1.695 -1.652 5.409 1.00 5.51 H new ATOM 0 HZ2 TRP A 103 -5.566 -2.010 8.508 1.00 14.33 H new ATOM 0 HZ3 TRP A 103 -3.530 -0.027 5.324 1.00 74.11 H new ATOM 0 HH2 TRP A 103 -5.434 -0.199 6.862 1.00 73.15 H new ATOM 1424 N LYS A 104 2.554 -4.850 7.425 1.00 31.00 N ATOM 1425 CA LYS A 104 3.656 -5.659 7.010 1.00 43.34 C ATOM 1426 C LYS A 104 3.214 -7.090 7.081 1.00 53.14 C ATOM 1427 O LYS A 104 2.809 -7.565 8.154 1.00 55.53 O ATOM 1428 CB LYS A 104 4.914 -5.452 7.869 1.00 21.21 C ATOM 1429 CG LYS A 104 5.542 -4.061 7.808 1.00 75.34 C ATOM 1430 CD LYS A 104 4.771 -3.009 8.592 1.00 62.44 C ATOM 1431 CE LYS A 104 5.581 -1.731 8.742 1.00 2.41 C ATOM 1432 NZ LYS A 104 6.053 -1.178 7.447 1.00 71.52 N ATOM 0 H LYS A 104 2.243 -5.018 8.382 1.00 31.00 H new ATOM 0 HA LYS A 104 3.936 -5.372 5.996 1.00 43.34 H new ATOM 0 HB2 LYS A 104 4.662 -5.670 8.907 1.00 21.21 H new ATOM 0 HB3 LYS A 104 5.664 -6.182 7.563 1.00 21.21 H new ATOM 0 HG2 LYS A 104 6.561 -4.114 8.192 1.00 75.34 H new ATOM 0 HG3 LYS A 104 5.610 -3.748 6.766 1.00 75.34 H new ATOM 0 HD2 LYS A 104 3.832 -2.790 8.085 1.00 62.44 H new ATOM 0 HD3 LYS A 104 4.517 -3.400 9.577 1.00 62.44 H new ATOM 0 HE2 LYS A 104 4.973 -0.982 9.249 1.00 2.41 H new ATOM 0 HE3 LYS A 104 6.442 -1.928 9.380 1.00 2.41 H new ATOM 0 HZ1 LYS A 104 6.193 -0.152 7.538 1.00 71.52 H new ATOM 0 HZ2 LYS A 104 6.953 -1.629 7.184 1.00 71.52 H new ATOM 0 HZ3 LYS A 104 5.344 -1.366 6.710 1.00 71.52 H new ATOM 1446 N SER A 105 3.268 -7.755 5.968 1.00 72.14 N ATOM 1447 CA SER A 105 2.818 -9.116 5.829 1.00 62.15 C ATOM 1448 C SER A 105 3.784 -10.090 6.525 1.00 11.41 C ATOM 1449 O SER A 105 4.825 -9.679 7.072 1.00 63.20 O ATOM 1450 CB SER A 105 2.671 -9.418 4.330 1.00 41.11 C ATOM 1451 OG SER A 105 2.171 -10.714 4.045 1.00 44.01 O ATOM 0 H SER A 105 3.636 -7.359 5.103 1.00 72.14 H new ATOM 0 HA SER A 105 1.852 -9.248 6.317 1.00 62.15 H new ATOM 0 HB2 SER A 105 2.006 -8.678 3.885 1.00 41.11 H new ATOM 0 HB3 SER A 105 3.643 -9.302 3.850 1.00 41.11 H new ATOM 0 HG SER A 105 2.317 -10.920 3.098 1.00 44.01 H new ATOM 1640 N TRP A 117 8.856 -9.587 2.792 1.00 62.22 N ATOM 1641 CA TRP A 117 7.515 -9.373 3.183 1.00 44.24 C ATOM 1642 C TRP A 117 6.882 -8.360 2.299 1.00 21.43 C ATOM 1643 O TRP A 117 7.566 -7.628 1.551 1.00 43.34 O ATOM 1644 CB TRP A 117 7.380 -9.015 4.684 1.00 24.13 C ATOM 1645 CG TRP A 117 8.217 -7.860 5.135 1.00 60.43 C ATOM 1646 CD1 TRP A 117 7.861 -6.549 5.151 1.00 34.44 C ATOM 1647 CD2 TRP A 117 9.549 -7.927 5.648 1.00 2.31 C ATOM 1648 NE1 TRP A 117 8.890 -5.786 5.638 1.00 23.23 N ATOM 1649 CE2 TRP A 117 9.949 -6.617 5.948 1.00 3.02 C ATOM 1650 CE3 TRP A 117 10.445 -8.978 5.879 1.00 1.24 C ATOM 1651 CZ2 TRP A 117 11.210 -6.334 6.467 1.00 61.41 C ATOM 1652 CZ3 TRP A 117 11.686 -8.688 6.393 1.00 24.04 C ATOM 1653 CH2 TRP A 117 12.056 -7.378 6.679 1.00 45.24 C ATOM 0 HA TRP A 117 6.977 -10.313 3.063 1.00 44.24 H new ATOM 0 HB2 TRP A 117 6.334 -8.792 4.896 1.00 24.13 H new ATOM 0 HB3 TRP A 117 7.646 -9.890 5.276 1.00 24.13 H new ATOM 0 HD1 TRP A 117 6.905 -6.164 4.827 1.00 34.44 H new ATOM 0 HE1 TRP A 117 8.876 -4.773 5.753 1.00 23.23 H new ATOM 0 HE3 TRP A 117 10.166 -9.998 5.657 1.00 1.24 H new ATOM 0 HZ2 TRP A 117 11.506 -5.320 6.693 1.00 61.41 H new ATOM 0 HZ3 TRP A 117 12.385 -9.490 6.578 1.00 24.04 H new ATOM 0 HH2 TRP A 117 13.040 -7.185 7.080 1.00 45.24 H new ATOM 1664 N ASP A 118 5.615 -8.335 2.344 1.00 3.11 N ATOM 1665 CA ASP A 118 4.866 -7.441 1.554 1.00 52.21 C ATOM 1666 C ASP A 118 4.435 -6.341 2.465 1.00 60.15 C ATOM 1667 O ASP A 118 4.035 -6.604 3.603 1.00 54.15 O ATOM 1668 CB ASP A 118 3.600 -8.118 0.979 1.00 64.11 C ATOM 1669 CG ASP A 118 3.713 -9.630 0.768 1.00 35.12 C ATOM 1670 OD1 ASP A 118 2.970 -10.391 1.446 1.00 11.25 O ATOM 1671 OD2 ASP A 118 4.530 -10.090 -0.054 1.00 20.05 O ATOM 0 H ASP A 118 5.054 -8.944 2.940 1.00 3.11 H new ATOM 0 HA ASP A 118 5.469 -7.090 0.717 1.00 52.21 H new ATOM 0 HB2 ASP A 118 2.765 -7.922 1.651 1.00 64.11 H new ATOM 0 HB3 ASP A 118 3.358 -7.650 0.025 1.00 64.11 H new ATOM 1676 N GLU A 119 4.521 -5.134 2.027 1.00 55.51 N ATOM 1677 CA GLU A 119 4.040 -4.060 2.831 1.00 0.23 C ATOM 1678 C GLU A 119 2.874 -3.434 2.154 1.00 43.01 C ATOM 1679 O GLU A 119 2.830 -3.328 0.925 1.00 21.33 O ATOM 1680 CB GLU A 119 5.108 -3.032 3.203 1.00 51.04 C ATOM 1681 CG GLU A 119 6.212 -3.592 4.087 1.00 53.23 C ATOM 1682 CD GLU A 119 6.951 -2.520 4.852 1.00 1.43 C ATOM 1683 OE1 GLU A 119 6.728 -1.335 4.607 1.00 70.41 O ATOM 1684 OE2 GLU A 119 7.742 -2.845 5.775 1.00 34.33 O ATOM 0 H GLU A 119 4.915 -4.864 1.126 1.00 55.51 H new ATOM 0 HA GLU A 119 3.729 -4.479 3.788 1.00 0.23 H new ATOM 0 HB2 GLU A 119 5.552 -2.635 2.290 1.00 51.04 H new ATOM 0 HB3 GLU A 119 4.632 -2.196 3.716 1.00 51.04 H new ATOM 0 HG2 GLU A 119 5.781 -4.303 4.792 1.00 53.23 H new ATOM 0 HG3 GLU A 119 6.920 -4.145 3.470 1.00 53.23 H new ATOM 1691 N ALA A 120 1.920 -3.073 2.924 1.00 62.34 N ATOM 1692 CA ALA A 120 0.689 -2.577 2.390 1.00 41.30 C ATOM 1693 C ALA A 120 0.380 -1.215 2.915 1.00 1.20 C ATOM 1694 O ALA A 120 0.175 -1.051 4.092 1.00 2.05 O ATOM 1695 CB ALA A 120 -0.419 -3.533 2.729 1.00 25.44 C ATOM 0 H ALA A 120 1.959 -3.109 3.943 1.00 62.34 H new ATOM 0 HA ALA A 120 0.785 -2.497 1.307 1.00 41.30 H new ATOM 0 HB1 ALA A 120 -1.359 -3.159 2.324 1.00 25.44 H new ATOM 0 HB2 ALA A 120 -0.201 -4.510 2.298 1.00 25.44 H new ATOM 0 HB3 ALA A 120 -0.502 -3.625 3.812 1.00 25.44 H new ATOM 1701 N GLU A 121 0.321 -0.265 2.043 1.00 10.21 N ATOM 1702 CA GLU A 121 0.065 1.096 2.407 1.00 50.32 C ATOM 1703 C GLU A 121 -1.319 1.475 1.883 1.00 23.02 C ATOM 1704 O GLU A 121 -1.529 1.573 0.684 1.00 23.50 O ATOM 1705 CB GLU A 121 1.157 1.974 1.766 1.00 10.14 C ATOM 1706 CG GLU A 121 1.093 3.463 2.071 1.00 24.14 C ATOM 1707 CD GLU A 121 2.178 4.245 1.339 1.00 35.24 C ATOM 1708 OE1 GLU A 121 2.310 5.456 1.571 1.00 72.41 O ATOM 1709 OE2 GLU A 121 2.915 3.648 0.505 1.00 33.55 O ATOM 0 H GLU A 121 0.451 -0.410 1.042 1.00 10.21 H new ATOM 0 HA GLU A 121 0.085 1.237 3.488 1.00 50.32 H new ATOM 0 HB2 GLU A 121 2.129 1.601 2.089 1.00 10.14 H new ATOM 0 HB3 GLU A 121 1.109 1.844 0.685 1.00 10.14 H new ATOM 0 HG2 GLU A 121 0.114 3.849 1.787 1.00 24.14 H new ATOM 0 HG3 GLU A 121 1.197 3.618 3.145 1.00 24.14 H new ATOM 1716 N ALA A 122 -2.250 1.637 2.768 1.00 22.50 N ATOM 1717 CA ALA A 122 -3.591 2.016 2.417 1.00 64.54 C ATOM 1718 C ALA A 122 -3.793 3.504 2.624 1.00 34.43 C ATOM 1719 O ALA A 122 -3.525 4.029 3.712 1.00 31.34 O ATOM 1720 CB ALA A 122 -4.595 1.234 3.246 1.00 70.33 C ATOM 0 H ALA A 122 -2.103 1.509 3.769 1.00 22.50 H new ATOM 0 HA ALA A 122 -3.749 1.785 1.363 1.00 64.54 H new ATOM 0 HB1 ALA A 122 -5.606 1.532 2.969 1.00 70.33 H new ATOM 0 HB2 ALA A 122 -4.467 0.167 3.061 1.00 70.33 H new ATOM 0 HB3 ALA A 122 -4.433 1.441 4.304 1.00 70.33 H new ATOM 1726 N TYR A 123 -4.251 4.161 1.588 1.00 74.41 N ATOM 1727 CA TYR A 123 -4.539 5.578 1.589 1.00 30.25 C ATOM 1728 C TYR A 123 -6.040 5.739 1.674 1.00 23.33 C ATOM 1729 O TYR A 123 -6.782 5.276 0.782 1.00 32.31 O ATOM 1730 CB TYR A 123 -4.105 6.248 0.266 1.00 45.11 C ATOM 1731 CG TYR A 123 -2.658 6.112 -0.137 1.00 65.23 C ATOM 1732 CD1 TYR A 123 -1.855 7.224 -0.225 1.00 13.21 C ATOM 1733 CD2 TYR A 123 -2.110 4.876 -0.463 1.00 65.15 C ATOM 1734 CE1 TYR A 123 -0.540 7.120 -0.623 1.00 43.41 C ATOM 1735 CE2 TYR A 123 -0.802 4.755 -0.854 1.00 0.23 C ATOM 1736 CZ TYR A 123 -0.018 5.886 -0.933 1.00 41.11 C ATOM 1737 OH TYR A 123 1.290 5.787 -1.328 1.00 43.22 O ATOM 0 H TYR A 123 -4.440 3.713 0.692 1.00 74.41 H new ATOM 0 HA TYR A 123 -4.006 6.036 2.422 1.00 30.25 H new ATOM 0 HB2 TYR A 123 -4.718 5.838 -0.536 1.00 45.11 H new ATOM 0 HB3 TYR A 123 -4.338 7.311 0.334 1.00 45.11 H new ATOM 0 HD1 TYR A 123 -2.261 8.194 0.022 1.00 13.21 H new ATOM 0 HD2 TYR A 123 -2.729 3.992 -0.407 1.00 65.15 H new ATOM 0 HE1 TYR A 123 0.078 8.003 -0.691 1.00 43.41 H new ATOM 0 HE2 TYR A 123 -0.391 3.786 -1.097 1.00 0.23 H new ATOM 0 HH TYR A 123 1.814 6.500 -0.906 1.00 43.22 H new ATOM 1747 N ILE A 124 -6.489 6.367 2.692 1.00 73.23 N ATOM 1748 CA ILE A 124 -7.908 6.627 2.890 1.00 33.42 C ATOM 1749 C ILE A 124 -8.033 8.105 3.173 1.00 33.24 C ATOM 1750 O ILE A 124 -7.201 8.633 3.869 1.00 51.10 O ATOM 1751 CB ILE A 124 -8.452 5.840 4.117 1.00 0.02 C ATOM 1752 CG1 ILE A 124 -8.182 4.340 3.998 1.00 75.22 C ATOM 1753 CG2 ILE A 124 -9.939 6.086 4.323 1.00 63.04 C ATOM 1754 CD1 ILE A 124 -8.711 3.551 5.175 1.00 21.11 C ATOM 0 H ILE A 124 -5.894 6.730 3.436 1.00 73.23 H new ATOM 0 HA ILE A 124 -8.475 6.319 2.011 1.00 33.42 H new ATOM 0 HB ILE A 124 -7.914 6.214 4.988 1.00 0.02 H new ATOM 0 HG12 ILE A 124 -8.638 3.966 3.082 1.00 75.22 H new ATOM 0 HG13 ILE A 124 -7.108 4.175 3.910 1.00 75.22 H new ATOM 0 HG21 ILE A 124 -10.285 5.521 5.188 1.00 63.04 H new ATOM 0 HG22 ILE A 124 -10.112 7.149 4.491 1.00 63.04 H new ATOM 0 HG23 ILE A 124 -10.487 5.765 3.437 1.00 63.04 H new ATOM 0 HD11 ILE A 124 -8.489 2.493 5.033 1.00 21.11 H new ATOM 0 HD12 ILE A 124 -8.236 3.902 6.091 1.00 21.11 H new ATOM 0 HD13 ILE A 124 -9.790 3.689 5.250 1.00 21.11 H new ATOM 1766 N TRP A 125 -9.026 8.775 2.646 1.00 4.12 N ATOM 1767 CA TRP A 125 -9.112 10.197 2.880 1.00 2.30 C ATOM 1768 C TRP A 125 -10.491 10.576 3.347 1.00 32.41 C ATOM 1769 O TRP A 125 -11.475 9.837 3.095 1.00 44.14 O ATOM 1770 CB TRP A 125 -8.653 11.033 1.647 1.00 31.31 C ATOM 1771 CG TRP A 125 -9.714 11.443 0.639 1.00 41.25 C ATOM 1772 CD1 TRP A 125 -10.113 12.723 0.384 1.00 3.13 C ATOM 1773 CD2 TRP A 125 -10.495 10.609 -0.233 1.00 43.42 C ATOM 1774 NE1 TRP A 125 -11.071 12.738 -0.588 1.00 3.43 N ATOM 1775 CE2 TRP A 125 -11.326 11.461 -0.985 1.00 73.31 C ATOM 1776 CE3 TRP A 125 -10.574 9.242 -0.455 1.00 55.15 C ATOM 1777 CZ2 TRP A 125 -12.213 10.986 -1.938 1.00 34.25 C ATOM 1778 CZ3 TRP A 125 -11.457 8.770 -1.402 1.00 72.02 C ATOM 1779 CH2 TRP A 125 -12.265 9.643 -2.131 1.00 20.25 C ATOM 0 H TRP A 125 -9.766 8.376 2.069 1.00 4.12 H new ATOM 0 HA TRP A 125 -8.412 10.442 3.679 1.00 2.30 H new ATOM 0 HB2 TRP A 125 -8.172 11.939 2.016 1.00 31.31 H new ATOM 0 HB3 TRP A 125 -7.891 10.461 1.118 1.00 31.31 H new ATOM 0 HD1 TRP A 125 -9.725 13.600 0.881 1.00 3.13 H new ATOM 0 HE1 TRP A 125 -11.524 13.573 -0.958 1.00 3.43 H new ATOM 0 HE3 TRP A 125 -9.953 8.558 0.105 1.00 55.15 H new ATOM 0 HZ2 TRP A 125 -12.839 11.659 -2.506 1.00 34.25 H new ATOM 0 HZ3 TRP A 125 -11.525 7.707 -1.583 1.00 72.02 H new ATOM 0 HH2 TRP A 125 -12.947 9.241 -2.866 1.00 20.25 H new ATOM 1790 N ARG A 126 -10.567 11.641 4.107 1.00 20.12 N ATOM 1791 CA ARG A 126 -11.829 12.165 4.520 1.00 51.25 C ATOM 1792 C ARG A 126 -12.408 12.850 3.312 1.00 43.53 C ATOM 1793 O ARG A 126 -11.875 13.848 2.830 1.00 51.12 O ATOM 1794 CB ARG A 126 -11.689 13.183 5.640 1.00 42.44 C ATOM 1795 CG ARG A 126 -13.010 13.492 6.319 1.00 51.00 C ATOM 1796 CD ARG A 126 -12.947 14.759 7.151 1.00 32.44 C ATOM 1797 NE ARG A 126 -12.915 15.993 6.318 1.00 61.43 N ATOM 1798 CZ ARG A 126 -12.426 17.179 6.733 1.00 15.40 C ATOM 1799 NH1 ARG A 126 -11.539 17.221 7.718 1.00 31.14 N ATOM 1800 NH2 ARG A 126 -12.708 18.288 6.059 1.00 34.40 N ATOM 0 H ARG A 126 -9.758 12.159 4.450 1.00 20.12 H new ATOM 0 HA ARG A 126 -12.458 11.359 4.898 1.00 51.25 H new ATOM 0 HB2 ARG A 126 -10.984 12.807 6.381 1.00 42.44 H new ATOM 0 HB3 ARG A 126 -11.268 14.104 5.238 1.00 42.44 H new ATOM 0 HG2 ARG A 126 -13.789 13.594 5.564 1.00 51.00 H new ATOM 0 HG3 ARG A 126 -13.293 12.655 6.957 1.00 51.00 H new ATOM 0 HD2 ARG A 126 -13.811 14.796 7.815 1.00 32.44 H new ATOM 0 HD3 ARG A 126 -12.060 14.730 7.784 1.00 32.44 H new ATOM 0 HE ARG A 126 -13.288 15.937 5.370 1.00 61.43 H new ATOM 0 HH11 ARG A 126 -11.227 16.357 8.161 1.00 31.14 H new ATOM 0 HH12 ARG A 126 -11.168 18.118 8.033 1.00 31.14 H new ATOM 0 HH21 ARG A 126 -13.295 18.243 5.226 1.00 34.40 H new ATOM 0 HH22 ARG A 126 -12.337 19.185 6.374 1.00 34.40 H new ATOM 1814 N ARG A 127 -13.471 12.319 2.845 1.00 75.00 N ATOM 1815 CA ARG A 127 -14.061 12.719 1.624 1.00 31.42 C ATOM 1816 C ARG A 127 -14.892 13.964 1.882 1.00 52.31 C ATOM 1817 O ARG A 127 -15.503 14.100 2.950 1.00 30.30 O ATOM 1818 CB ARG A 127 -14.920 11.542 1.145 1.00 22.20 C ATOM 1819 CG ARG A 127 -15.474 11.612 -0.257 1.00 31.21 C ATOM 1820 CD ARG A 127 -16.262 10.344 -0.538 1.00 61.24 C ATOM 1821 NE ARG A 127 -16.804 10.290 -1.888 1.00 33.55 N ATOM 1822 CZ ARG A 127 -17.889 9.596 -2.245 1.00 34.20 C ATOM 1823 NH1 ARG A 127 -18.605 8.935 -1.333 1.00 41.13 N ATOM 1824 NH2 ARG A 127 -18.248 9.559 -3.508 1.00 73.21 N ATOM 0 H ARG A 127 -13.974 11.567 3.317 1.00 75.00 H new ATOM 0 HA ARG A 127 -13.327 12.964 0.857 1.00 31.42 H new ATOM 0 HB2 ARG A 127 -14.323 10.634 1.226 1.00 22.20 H new ATOM 0 HB3 ARG A 127 -15.758 11.435 1.833 1.00 22.20 H new ATOM 0 HG2 ARG A 127 -16.116 12.486 -0.366 1.00 31.21 H new ATOM 0 HG3 ARG A 127 -14.663 11.720 -0.978 1.00 31.21 H new ATOM 0 HD2 ARG A 127 -15.616 9.480 -0.378 1.00 61.24 H new ATOM 0 HD3 ARG A 127 -17.080 10.267 0.178 1.00 61.24 H new ATOM 0 HE ARG A 127 -16.321 10.820 -2.614 1.00 33.55 H new ATOM 0 HH11 ARG A 127 -18.326 8.956 -0.352 1.00 41.13 H new ATOM 0 HH12 ARG A 127 -19.431 8.409 -1.617 1.00 41.13 H new ATOM 0 HH21 ARG A 127 -17.700 10.058 -4.209 1.00 73.21 H new ATOM 0 HH22 ARG A 127 -19.075 9.031 -3.788 1.00 73.21 H new ATOM 1838 N LYS A 128 -14.934 14.857 0.911 1.00 4.20 N ATOM 1839 CA LYS A 128 -15.664 16.131 1.022 1.00 23.22 C ATOM 1840 C LYS A 128 -17.182 15.867 1.112 1.00 34.25 C ATOM 1841 O LYS A 128 -17.990 16.751 1.418 1.00 65.30 O ATOM 1842 CB LYS A 128 -15.322 17.023 -0.181 1.00 75.35 C ATOM 1843 CG LYS A 128 -15.868 18.435 -0.093 1.00 30.41 C ATOM 1844 CD LYS A 128 -15.522 19.237 -1.326 1.00 72.14 C ATOM 1845 CE LYS A 128 -16.091 20.636 -1.236 1.00 22.01 C ATOM 1846 NZ LYS A 128 -15.838 21.408 -2.459 1.00 55.33 N ATOM 0 H LYS A 128 -14.465 14.730 0.014 1.00 4.20 H new ATOM 0 HA LYS A 128 -15.362 16.649 1.932 1.00 23.22 H new ATOM 0 HB2 LYS A 128 -14.238 17.072 -0.284 1.00 75.35 H new ATOM 0 HB3 LYS A 128 -15.707 16.554 -1.086 1.00 75.35 H new ATOM 0 HG2 LYS A 128 -16.951 18.401 0.029 1.00 30.41 H new ATOM 0 HG3 LYS A 128 -15.463 18.929 0.790 1.00 30.41 H new ATOM 0 HD2 LYS A 128 -14.439 19.287 -1.440 1.00 72.14 H new ATOM 0 HD3 LYS A 128 -15.913 18.737 -2.212 1.00 72.14 H new ATOM 0 HE2 LYS A 128 -17.165 20.581 -1.057 1.00 22.01 H new ATOM 0 HE3 LYS A 128 -15.652 21.153 -0.383 1.00 22.01 H new ATOM 0 HZ1 LYS A 128 -16.243 22.361 -2.358 1.00 55.33 H new ATOM 0 HZ2 LYS A 128 -14.813 21.483 -2.617 1.00 55.33 H new ATOM 0 HZ3 LYS A 128 -16.279 20.928 -3.270 1.00 55.33 H new ATOM 1860 N ASP A 129 -17.538 14.634 0.853 1.00 45.30 N ATOM 1861 CA ASP A 129 -18.895 14.129 0.978 1.00 41.20 C ATOM 1862 C ASP A 129 -19.314 14.075 2.460 1.00 4.23 C ATOM 1863 O ASP A 129 -20.494 14.020 2.784 1.00 32.20 O ATOM 1864 CB ASP A 129 -18.952 12.731 0.346 1.00 21.14 C ATOM 1865 CG ASP A 129 -20.264 12.009 0.536 1.00 60.53 C ATOM 1866 OD1 ASP A 129 -21.256 12.351 -0.153 1.00 23.55 O ATOM 1867 OD2 ASP A 129 -20.305 11.069 1.339 1.00 33.30 O ATOM 0 H ASP A 129 -16.875 13.926 0.539 1.00 45.30 H new ATOM 0 HA ASP A 129 -19.589 14.793 0.463 1.00 41.20 H new ATOM 0 HB2 ASP A 129 -18.753 12.821 -0.722 1.00 21.14 H new ATOM 0 HB3 ASP A 129 -18.153 12.122 0.769 1.00 21.14 H new ATOM 1872 N GLY A 130 -18.340 14.144 3.350 1.00 72.10 N ATOM 1873 CA GLY A 130 -18.621 14.137 4.765 1.00 14.24 C ATOM 1874 C GLY A 130 -18.171 12.859 5.408 1.00 62.13 C ATOM 1875 O GLY A 130 -17.907 12.810 6.601 1.00 3.30 O ATOM 0 H GLY A 130 -17.350 14.205 3.113 1.00 72.10 H new ATOM 0 HA2 GLY A 130 -18.121 14.981 5.241 1.00 14.24 H new ATOM 0 HA3 GLY A 130 -19.691 14.269 4.925 1.00 14.24 H new ATOM 1879 N SER A 131 -18.067 11.835 4.616 1.00 31.33 N ATOM 1880 CA SER A 131 -17.660 10.555 5.099 1.00 14.20 C ATOM 1881 C SER A 131 -16.178 10.351 4.766 1.00 54.20 C ATOM 1882 O SER A 131 -15.513 11.260 4.280 1.00 53.43 O ATOM 1883 CB SER A 131 -18.539 9.458 4.463 1.00 44.22 C ATOM 1884 OG SER A 131 -18.228 8.171 4.982 1.00 63.11 O ATOM 0 H SER A 131 -18.263 11.866 3.615 1.00 31.33 H new ATOM 0 HA SER A 131 -17.785 10.496 6.180 1.00 14.20 H new ATOM 0 HB2 SER A 131 -19.590 9.681 4.647 1.00 44.22 H new ATOM 0 HB3 SER A 131 -18.398 9.459 3.382 1.00 44.22 H new ATOM 0 HG SER A 131 -18.804 7.500 4.559 1.00 63.11 H new ATOM 1890 N CYS A 132 -15.683 9.191 5.013 1.00 54.44 N ATOM 1891 CA CYS A 132 -14.328 8.864 4.749 1.00 53.42 C ATOM 1892 C CYS A 132 -14.359 7.678 3.823 1.00 74.13 C ATOM 1893 O CYS A 132 -15.240 6.820 3.945 1.00 14.12 O ATOM 1894 CB CYS A 132 -13.595 8.544 6.053 1.00 44.34 C ATOM 1895 SG CYS A 132 -11.814 8.397 5.886 1.00 40.53 S ATOM 0 H CYS A 132 -16.223 8.424 5.414 1.00 54.44 H new ATOM 0 HA CYS A 132 -13.790 9.694 4.291 1.00 53.42 H new ATOM 0 HB2 CYS A 132 -13.816 9.325 6.781 1.00 44.34 H new ATOM 0 HB3 CYS A 132 -13.988 7.611 6.457 1.00 44.34 H new ATOM 0 HG CYS A 132 -11.233 9.283 6.640 1.00 40.53 H new ATOM 1901 N TRP A 133 -13.453 7.627 2.898 1.00 12.15 N ATOM 1902 CA TRP A 133 -13.497 6.631 1.890 1.00 3.34 C ATOM 1903 C TRP A 133 -12.077 6.323 1.437 1.00 22.24 C ATOM 1904 O TRP A 133 -11.177 7.148 1.614 1.00 42.12 O ATOM 1905 CB TRP A 133 -14.372 7.148 0.739 1.00 54.01 C ATOM 1906 CG TRP A 133 -14.848 6.092 -0.190 1.00 4.45 C ATOM 1907 CD1 TRP A 133 -15.316 4.874 0.153 1.00 52.21 C ATOM 1908 CD2 TRP A 133 -14.957 6.177 -1.603 1.00 64.41 C ATOM 1909 NE1 TRP A 133 -15.679 4.180 -0.956 1.00 70.41 N ATOM 1910 CE2 TRP A 133 -15.468 4.959 -2.053 1.00 2.51 C ATOM 1911 CE3 TRP A 133 -14.658 7.162 -2.526 1.00 62.40 C ATOM 1912 CZ2 TRP A 133 -15.691 4.696 -3.391 1.00 33.02 C ATOM 1913 CZ3 TRP A 133 -14.880 6.912 -3.864 1.00 44.45 C ATOM 1914 CH2 TRP A 133 -15.390 5.684 -4.287 1.00 23.52 C ATOM 0 H TRP A 133 -12.668 8.274 2.825 1.00 12.15 H new ATOM 0 HA TRP A 133 -13.934 5.704 2.262 1.00 3.34 H new ATOM 0 HB2 TRP A 133 -15.236 7.663 1.158 1.00 54.01 H new ATOM 0 HB3 TRP A 133 -13.806 7.886 0.171 1.00 54.01 H new ATOM 0 HD1 TRP A 133 -15.391 4.504 1.165 1.00 52.21 H new ATOM 0 HE1 TRP A 133 -16.049 3.230 -0.966 1.00 70.41 H new ATOM 0 HE3 TRP A 133 -14.257 8.112 -2.204 1.00 62.40 H new ATOM 0 HZ2 TRP A 133 -16.088 3.746 -3.717 1.00 33.02 H new ATOM 0 HZ3 TRP A 133 -14.656 7.676 -4.594 1.00 44.45 H new ATOM 0 HH2 TRP A 133 -15.550 5.511 -5.341 1.00 23.52 H new ATOM 1925 N LEU A 134 -11.871 5.139 0.910 1.00 44.54 N ATOM 1926 CA LEU A 134 -10.559 4.696 0.481 1.00 4.43 C ATOM 1927 C LEU A 134 -10.129 5.448 -0.754 1.00 41.41 C ATOM 1928 O LEU A 134 -10.879 5.553 -1.724 1.00 32.21 O ATOM 1929 CB LEU A 134 -10.503 3.173 0.220 1.00 2.33 C ATOM 1930 CG LEU A 134 -10.548 2.222 1.441 1.00 72.35 C ATOM 1931 CD1 LEU A 134 -11.875 2.281 2.186 1.00 60.22 C ATOM 1932 CD2 LEU A 134 -10.240 0.799 1.006 1.00 34.03 C ATOM 0 H LEU A 134 -12.610 4.451 0.765 1.00 44.54 H new ATOM 0 HA LEU A 134 -9.870 4.910 1.298 1.00 4.43 H new ATOM 0 HB2 LEU A 134 -11.336 2.916 -0.434 1.00 2.33 H new ATOM 0 HB3 LEU A 134 -9.587 2.963 -0.333 1.00 2.33 H new ATOM 0 HG LEU A 134 -9.784 2.561 2.141 1.00 72.35 H new ATOM 0 HD11 LEU A 134 -11.848 1.594 3.032 1.00 60.22 H new ATOM 0 HD12 LEU A 134 -12.044 3.295 2.548 1.00 60.22 H new ATOM 0 HD13 LEU A 134 -12.683 1.996 1.513 1.00 60.22 H new ATOM 0 HD21 LEU A 134 -10.274 0.138 1.872 1.00 34.03 H new ATOM 0 HD22 LEU A 134 -10.979 0.475 0.273 1.00 34.03 H new ATOM 0 HD23 LEU A 134 -9.246 0.762 0.560 1.00 34.03 H new ATOM 1944 N HIS A 135 -8.933 5.961 -0.716 1.00 22.12 N ATOM 1945 CA HIS A 135 -8.419 6.753 -1.795 1.00 41.11 C ATOM 1946 C HIS A 135 -7.660 5.865 -2.763 1.00 51.14 C ATOM 1947 O HIS A 135 -7.814 5.981 -3.980 1.00 71.01 O ATOM 1948 CB HIS A 135 -7.502 7.872 -1.247 1.00 32.44 C ATOM 1949 CG HIS A 135 -7.038 8.868 -2.277 1.00 31.05 C ATOM 1950 ND1 HIS A 135 -7.702 10.042 -2.569 1.00 22.34 N ATOM 1951 CD2 HIS A 135 -5.944 8.855 -3.074 1.00 2.32 C ATOM 1952 CE1 HIS A 135 -7.011 10.688 -3.508 1.00 62.15 C ATOM 1953 NE2 HIS A 135 -5.930 10.007 -3.850 1.00 2.33 N ATOM 0 H HIS A 135 -8.287 5.842 0.064 1.00 22.12 H new ATOM 0 HA HIS A 135 -9.249 7.221 -2.325 1.00 41.11 H new ATOM 0 HB2 HIS A 135 -8.034 8.406 -0.460 1.00 32.44 H new ATOM 0 HB3 HIS A 135 -6.628 7.413 -0.786 1.00 32.44 H new ATOM 0 HD1 HIS A 135 -8.571 10.360 -2.140 1.00 22.34 H new ATOM 0 HD2 HIS A 135 -5.200 8.073 -3.102 1.00 2.32 H new ATOM 0 HE1 HIS A 135 -7.296 11.639 -3.932 1.00 62.15 H new ATOM 1961 N SER A 136 -6.860 4.967 -2.214 1.00 15.24 N ATOM 1962 CA SER A 136 -6.013 4.085 -2.991 1.00 55.33 C ATOM 1963 C SER A 136 -5.280 3.216 -2.006 1.00 71.23 C ATOM 1964 O SER A 136 -5.104 3.616 -0.895 1.00 3.41 O ATOM 1965 CB SER A 136 -5.001 4.946 -3.784 1.00 4.02 C ATOM 1966 OG SER A 136 -4.188 4.191 -4.673 1.00 62.11 O ATOM 0 H SER A 136 -6.781 4.830 -1.206 1.00 15.24 H new ATOM 0 HA SER A 136 -6.587 3.479 -3.691 1.00 55.33 H new ATOM 0 HB2 SER A 136 -5.545 5.700 -4.353 1.00 4.02 H new ATOM 0 HB3 SER A 136 -4.360 5.478 -3.081 1.00 4.02 H new ATOM 0 HG SER A 136 -4.611 3.324 -4.847 1.00 62.11 H new ATOM 1972 N VAL A 137 -4.912 2.027 -2.364 1.00 64.20 N ATOM 1973 CA VAL A 137 -4.095 1.237 -1.470 1.00 1.44 C ATOM 1974 C VAL A 137 -2.984 0.613 -2.287 1.00 23.43 C ATOM 1975 O VAL A 137 -3.137 0.419 -3.487 1.00 42.55 O ATOM 1976 CB VAL A 137 -4.876 0.155 -0.636 1.00 31.11 C ATOM 1977 CG1 VAL A 137 -6.132 0.705 0.026 1.00 11.03 C ATOM 1978 CG2 VAL A 137 -5.183 -1.070 -1.424 1.00 74.51 C ATOM 0 H VAL A 137 -5.153 1.580 -3.249 1.00 64.20 H new ATOM 0 HA VAL A 137 -3.698 1.908 -0.708 1.00 1.44 H new ATOM 0 HB VAL A 137 -4.192 -0.134 0.162 1.00 31.11 H new ATOM 0 HG11 VAL A 137 -6.626 -0.089 0.586 1.00 11.03 H new ATOM 0 HG12 VAL A 137 -5.861 1.513 0.705 1.00 11.03 H new ATOM 0 HG13 VAL A 137 -6.810 1.085 -0.739 1.00 11.03 H new ATOM 0 HG21 VAL A 137 -5.722 -1.780 -0.797 1.00 74.51 H new ATOM 0 HG22 VAL A 137 -5.798 -0.805 -2.284 1.00 74.51 H new ATOM 0 HG23 VAL A 137 -4.254 -1.523 -1.769 1.00 74.51 H new ATOM 1988 N LYS A 138 -1.892 0.350 -1.674 1.00 1.44 N ATOM 1989 CA LYS A 138 -0.727 -0.140 -2.345 1.00 51.14 C ATOM 1990 C LYS A 138 -0.213 -1.387 -1.645 1.00 11.55 C ATOM 1991 O LYS A 138 -0.108 -1.406 -0.428 1.00 3.15 O ATOM 1992 CB LYS A 138 0.329 0.949 -2.262 1.00 11.35 C ATOM 1993 CG LYS A 138 1.624 0.668 -2.993 1.00 54.43 C ATOM 1994 CD LYS A 138 2.711 1.640 -2.533 1.00 14.55 C ATOM 1995 CE LYS A 138 2.314 3.094 -2.757 1.00 42.12 C ATOM 1996 NZ LYS A 138 3.250 4.032 -2.108 1.00 22.01 N ATOM 0 H LYS A 138 -1.770 0.469 -0.668 1.00 1.44 H new ATOM 0 HA LYS A 138 -0.958 -0.391 -3.380 1.00 51.14 H new ATOM 0 HB2 LYS A 138 -0.096 1.872 -2.657 1.00 11.35 H new ATOM 0 HB3 LYS A 138 0.558 1.127 -1.211 1.00 11.35 H new ATOM 0 HG2 LYS A 138 1.941 -0.358 -2.806 1.00 54.43 H new ATOM 0 HG3 LYS A 138 1.472 0.764 -4.068 1.00 54.43 H new ATOM 0 HD2 LYS A 138 2.915 1.480 -1.474 1.00 14.55 H new ATOM 0 HD3 LYS A 138 3.635 1.430 -3.071 1.00 14.55 H new ATOM 0 HE2 LYS A 138 2.280 3.299 -3.827 1.00 42.12 H new ATOM 0 HE3 LYS A 138 1.309 3.259 -2.369 1.00 42.12 H new ATOM 0 HZ1 LYS A 138 2.777 4.946 -1.956 1.00 22.01 H new ATOM 0 HZ2 LYS A 138 3.553 3.643 -1.192 1.00 22.01 H new ATOM 0 HZ3 LYS A 138 4.082 4.170 -2.717 1.00 22.01 H new ATOM 2010 N PHE A 139 0.099 -2.407 -2.403 1.00 22.44 N ATOM 2011 CA PHE A 139 0.657 -3.617 -1.867 1.00 5.00 C ATOM 2012 C PHE A 139 1.983 -3.858 -2.534 1.00 5.02 C ATOM 2013 O PHE A 139 2.047 -4.095 -3.740 1.00 22.03 O ATOM 2014 CB PHE A 139 -0.270 -4.812 -2.100 1.00 71.22 C ATOM 2015 CG PHE A 139 -1.637 -4.628 -1.520 1.00 14.34 C ATOM 2016 CD1 PHE A 139 -2.765 -4.675 -2.310 1.00 1.51 C ATOM 2017 CD2 PHE A 139 -1.781 -4.390 -0.185 1.00 31.31 C ATOM 2018 CE1 PHE A 139 -4.013 -4.493 -1.759 1.00 23.11 C ATOM 2019 CE2 PHE A 139 -3.021 -4.204 0.376 1.00 2.11 C ATOM 2020 CZ PHE A 139 -4.142 -4.256 -0.411 1.00 54.32 C ATOM 0 H PHE A 139 -0.029 -2.419 -3.415 1.00 22.44 H new ATOM 0 HA PHE A 139 0.782 -3.507 -0.790 1.00 5.00 H new ATOM 0 HB2 PHE A 139 -0.359 -4.989 -3.172 1.00 71.22 H new ATOM 0 HB3 PHE A 139 0.183 -5.703 -1.666 1.00 71.22 H new ATOM 0 HD1 PHE A 139 -2.669 -4.856 -3.370 1.00 1.51 H new ATOM 0 HD2 PHE A 139 -0.903 -4.347 0.443 1.00 31.31 H new ATOM 0 HE1 PHE A 139 -4.891 -4.536 -2.386 1.00 23.11 H new ATOM 0 HE2 PHE A 139 -3.113 -4.017 1.436 1.00 2.11 H new ATOM 0 HZ PHE A 139 -5.120 -4.112 0.025 1.00 54.32 H new ATOM 2030 N ILE A 140 3.030 -3.754 -1.788 1.00 34.14 N ATOM 2031 CA ILE A 140 4.355 -3.935 -2.341 1.00 12.30 C ATOM 2032 C ILE A 140 5.027 -5.184 -1.804 1.00 15.21 C ATOM 2033 O ILE A 140 5.546 -5.209 -0.683 1.00 22.44 O ATOM 2034 CB ILE A 140 5.272 -2.674 -2.193 1.00 60.51 C ATOM 2035 CG1 ILE A 140 5.279 -2.141 -0.741 1.00 41.03 C ATOM 2036 CG2 ILE A 140 4.846 -1.589 -3.181 1.00 2.34 C ATOM 2037 CD1 ILE A 140 6.181 -0.942 -0.508 1.00 22.50 C ATOM 0 H ILE A 140 3.008 -3.544 -0.790 1.00 34.14 H new ATOM 0 HA ILE A 140 4.209 -4.073 -3.412 1.00 12.30 H new ATOM 0 HB ILE A 140 6.294 -2.971 -2.428 1.00 60.51 H new ATOM 0 HG12 ILE A 140 4.260 -1.871 -0.463 1.00 41.03 H new ATOM 0 HG13 ILE A 140 5.589 -2.946 -0.075 1.00 41.03 H new ATOM 0 HG21 ILE A 140 5.492 -0.719 -3.067 1.00 2.34 H new ATOM 0 HG22 ILE A 140 4.928 -1.971 -4.199 1.00 2.34 H new ATOM 0 HG23 ILE A 140 3.813 -1.302 -2.984 1.00 2.34 H new ATOM 0 HD11 ILE A 140 6.121 -0.639 0.537 1.00 22.50 H new ATOM 0 HD12 ILE A 140 7.210 -1.208 -0.750 1.00 22.50 H new ATOM 0 HD13 ILE A 140 5.861 -0.117 -1.144 1.00 22.50 H new ATOM 2049 N MET A 141 4.977 -6.231 -2.590 1.00 45.44 N ATOM 2050 CA MET A 141 5.607 -7.488 -2.241 1.00 31.33 C ATOM 2051 C MET A 141 7.035 -7.396 -2.718 1.00 22.30 C ATOM 2052 O MET A 141 7.314 -7.637 -3.899 1.00 51.43 O ATOM 2053 CB MET A 141 4.911 -8.640 -2.979 1.00 22.22 C ATOM 2054 CG MET A 141 3.404 -8.711 -2.771 1.00 25.24 C ATOM 2055 SD MET A 141 2.606 -9.973 -3.790 1.00 74.42 S ATOM 2056 CE MET A 141 0.900 -9.757 -3.295 1.00 74.51 C ATOM 0 H MET A 141 4.499 -6.240 -3.491 1.00 45.44 H new ATOM 0 HA MET A 141 5.547 -7.672 -1.168 1.00 31.33 H new ATOM 0 HB2 MET A 141 5.113 -8.544 -4.046 1.00 22.22 H new ATOM 0 HB3 MET A 141 5.354 -9.582 -2.654 1.00 22.22 H new ATOM 0 HG2 MET A 141 3.198 -8.917 -1.721 1.00 25.24 H new ATOM 0 HG3 MET A 141 2.966 -7.739 -2.998 1.00 25.24 H new ATOM 0 HE1 MET A 141 0.272 -10.465 -3.835 1.00 74.51 H new ATOM 0 HE2 MET A 141 0.807 -9.934 -2.223 1.00 74.51 H new ATOM 0 HE3 MET A 141 0.581 -8.740 -3.524 1.00 74.51 H new ATOM 2066 N SER A 142 7.938 -7.002 -1.844 1.00 41.10 N ATOM 2067 CA SER A 142 9.332 -6.754 -2.250 1.00 32.03 C ATOM 2068 C SER A 142 10.313 -6.717 -1.069 1.00 35.40 C ATOM 2069 O SER A 142 11.285 -7.483 -1.040 1.00 75.43 O ATOM 2070 CB SER A 142 9.448 -5.410 -3.022 1.00 32.21 C ATOM 2071 OG SER A 142 8.715 -5.413 -4.246 1.00 32.34 O ATOM 0 H SER A 142 7.748 -6.844 -0.854 1.00 41.10 H new ATOM 0 HA SER A 142 9.604 -7.594 -2.889 1.00 32.03 H new ATOM 0 HB2 SER A 142 9.087 -4.600 -2.389 1.00 32.21 H new ATOM 0 HB3 SER A 142 10.498 -5.206 -3.232 1.00 32.21 H new ATOM 0 HG SER A 142 8.414 -6.324 -4.445 1.00 32.34 H new ATOM 2077 N LYS A 143 10.038 -5.826 -0.115 1.00 24.41 N ATOM 2078 CA LYS A 143 10.941 -5.498 0.999 1.00 63.34 C ATOM 2079 C LYS A 143 11.399 -6.728 1.766 1.00 24.23 C ATOM 2080 O LYS A 143 10.607 -7.590 2.111 1.00 65.21 O ATOM 2081 CB LYS A 143 10.259 -4.499 1.924 1.00 11.00 C ATOM 2082 CG LYS A 143 11.091 -4.012 3.100 1.00 72.24 C ATOM 2083 CD LYS A 143 10.292 -3.017 3.917 1.00 52.34 C ATOM 2084 CE LYS A 143 11.011 -2.589 5.177 1.00 61.34 C ATOM 2085 NZ LYS A 143 10.165 -1.701 6.002 1.00 42.11 N ATOM 0 H LYS A 143 9.165 -5.299 -0.091 1.00 24.41 H new ATOM 0 HA LYS A 143 11.842 -5.052 0.579 1.00 63.34 H new ATOM 0 HB2 LYS A 143 9.957 -3.634 1.334 1.00 11.00 H new ATOM 0 HB3 LYS A 143 9.348 -4.955 2.312 1.00 11.00 H new ATOM 0 HG2 LYS A 143 11.385 -4.856 3.724 1.00 72.24 H new ATOM 0 HG3 LYS A 143 12.009 -3.547 2.740 1.00 72.24 H new ATOM 0 HD2 LYS A 143 10.081 -2.138 3.307 1.00 52.34 H new ATOM 0 HD3 LYS A 143 9.332 -3.459 4.183 1.00 52.34 H new ATOM 0 HE2 LYS A 143 11.291 -3.469 5.756 1.00 61.34 H new ATOM 0 HE3 LYS A 143 11.935 -2.074 4.914 1.00 61.34 H new ATOM 0 HZ1 LYS A 143 10.643 -1.506 6.905 1.00 42.11 H new ATOM 0 HZ2 LYS A 143 10.003 -0.807 5.496 1.00 42.11 H new ATOM 0 HZ3 LYS A 143 9.252 -2.164 6.187 1.00 42.11 H new